{"text_format":"3","workbook":"xlsx","n_sheets":2,"sheets":["Liver","Colon"],"read":"whole","date_system":"1900"}

{"sheet":"Liver","index":0,"n_rows":1266,"n_cols":95,"rows_kept":562,"cut":true,"bounds":{"rows_first":250,"rows_last":62,"rows_between":250,"halvings":3}}
["Compound_ID","Name","Other_name(Kegg_name)","Formula","Molecular Weight","RT [min]","m/z","Kegg_ID","KEGG_pathway","HMDB_ID","Lipidmaps_ID","SuperClass(HMDB)","Class(HMDB)","SubClass(HMDB)","CATEGORY(Lipidmaps)","MAIN_CLASS(Lipidmaps)","SUB_CLASS(Lipidmaps)","mzCloud_Results","mzVault_Results","MassList_Results","Class_I","Class_II","Class_III","Class_IV","all_A1","all_A3","all_A4","all_A5","all_A6","all_A7","all_A8","all_A10","all_A12","all_B1","all_B2","all_B3","all_B4","all_B5","all_B6","all_B8","all_B9","all_B10","all_B11","all_C1","all_C2","all_C3","all_C4","all_C5","all_C6","all_C7","all_C8","all_C10","all_C11","all_C12","all_KA1","all_KA2","all_KA3","all_KA4","all_KA5","all_KA6","all_KA7","all_KA9","all_KA11","all_KA12","all_KF1","all_KF2","all_KF3","all_KF4","all_KF5","all_KF6","all_KF7","all_KF8","all_F1","all_F2","all_F3","all_F4","all_F5","all_F6","all_F7","all_F8","all_F9","all_F10","all_QC1","all_QC2","all_QC3","all_QC4","all_QC5","all_QC6","all_QC7","all_QC8","all_QC9","all_QC10","all_QC11","all_QC12","all_QC13"]
["Com_17_neg","D-(-)-Lyxose","--","C5 H10 O5",150.05219,1.437,195.05031,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Pentoses",1458875722.428873,1279013092.121204,2038192316.942454,520527570.8598478,1641137401.567248,1672582685.630894,2549229700.45275,2143030774.053466,2237499781.22618,3911096971.099256,2139454522.347053,2150153286.142306,1350825946.539984,1624403275.588894,1736664603.002052,948751381.1393318,2304495946.426706,3491908966.386715,1474536795.817699,986411976.6161668,3318208458.941673,1784483757.627187,1862469022.454345,3094790171.21131,2270748396.780995,2127256794.094333,1541311204.022964,3069634772.055263,2791562295.61998,2978535578.536187,1014400330.398849,1429833574.817535,2194082711.973043,968293685.5660186,1487059601.763241,601979675.6618361,2726518194.691117,2779882903.649276,1997748276.647165,3285496465.273587,3525882451.935585,2279263326.025948,2133054486.615009,1671980461.620366,849831042.1244884,1368919915.842623,1303233368.41394,1223801581.57361,547982599.8027401,1230767057.319836,754659939.8872813,1935140400.026423,337931518.1622288,831383073.9479295,933251626.713665,470380038.3270936,2385749174.944263,1414621393.491613,1416454981.57487,1613389588.661192,1541356714.448279,1605032654.22712,1720137233.808613,1755656353.312277,1645546706.518628,1808289580.92333,1099859709.097146,1756448618.88748,1510114318.31754,1779067416.045925,1780521628.734046]
["Com_18_neg","Gluconic acid","--","C6 H12 O7",196.05756,1.408,195.05019,"--","--","HMDB0000625","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",1400665401.487732,1218633956.427831,1956828263.4919,476882566.0539252,1558697556.905434,1606372416.266761,1527461905.741181,2110834284.400129,2114862684.474773,3902297062.400391,1351356887.922224,1312614273.080275,1312436257.894597,1583585719.527851,1030961301.589521,901081986.5213984,2296169488.958449,3483989122.080918,1419534676.802534,919714827.134865,2083468482.519433,1721229228.850286,1824855171.847631,1980931933.636618,2237227813.269704,2066474928.854607,1480192758.27041,3072618613.215863,2775020689.358721,2955546005.952606,977369135.4234765,1360514360.173418,2168821172.26404,916614517.7910228,1434021076.299808,551024570.6576718,2702408112.381096,2735981006.861714,1951872997.46307,3271305810.639272,3526495983.560238,2262760470.604628,2095034288.883198,1073925680.040493,800718570.0501457,1306997417.014457,1255801814.017601,1174998642.239662,490250498.0942489,1195935604.466034,715808728.5542128,1218338254.305961,288642405.6688648,765255516.1346827,866088286.2703363,401613379.8704185,2377143754.353707,1352401583.800564,1278678011.27795,1381982831.046103,898082139.1890692,886906811.6000786,1567844167.258857,1612883372.014486,1545872154.642774,1637303085.456826,981546304.0676476,1609460699.91902,879407155.7520992,1625288773.638323,1618191653.683602]
["Com_22_neg","DL-Malic acid","--","C4 H6 O5",134.02099,1.473,133.01381,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",2670891328.587926,1635158733.658467,846811853.2815706,1183799625.250849,1219940640.985646,1427974600.583534,741372464.9153444,805651126.8460636,1280682137.1711,1099872559.089105,1350143426.898152,1689989577.317403,821473476.3698767,2236447239.817,1355822624.060287,1146018509.227698,779721294.7396864,1388910328.937133,1432578637.95673,1006787118.034391,962291157.8933526,1076921201.179725,1142663444.865493,920160831.6091928,659325119.7449193,1200520809.625081,965081405.5070049,826557532.9821455,505599020.9650907,720995799.6558316,1491773534.914777,1921716086.828552,1663509593.913461,1730851086.837014,2580967200.125175,825646779.6493872,1803596920.827426,1549105156.85347,1812137949.997139,737095194.7987934,945249681.1893152,1597996138.583695,1374481536.267578,913587738.5530802,1247714865.547897,2359722510.81584,1499699411.858607,1100053155.088127,1930303072.34512,2223568126.173066,3230032438.812571,1762250189.248339,2773061015.958043,2560587742.263518,2601254062.734001,1151833149.470063,1315023900.155825,1205927370.922419,1267367040.22724,2211083831.597929,1730661160.899153,1824006296.073123,1479249358.724455,1749596006.716452,1764443020.035763,1517952673.74016,1680486221.458564,1710537169.824934,1542709729.408308,1754080043.620577,1895263049.926713]
["Com_54_neg","D-Glucose 6-phosphate","D-Glucose 6-phosphate; Glucose 6-phosphate; Robison ester","C6 H13 O9 P",260.02902,1.59,259.02188,"cpd:C00092","map00500  Starch and sucrose metabolism;map00524  Neomycin, kanamycin and gentamicin biosynthesis;map00562  Inositol phosphate metabolism;map01100  Metabolic pathways;map04911  Insulin secretion;map04917  Prolactin signaling pathway;map04918  Thyroid hormone synthesis;map04931  Insulin resistance;map04973  Carbohydrate digestion and absorption;map05230  Central carbon metabolism in cancer","HMDB0001401","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",524775322.6998538,304926843.6846259,415828145.0952132,321851800.5531603,430791808.9921637,352907111.4893045,281293857.5295156,284013101.1634391,354306571.7761329,339237011.1217862,361795098.8279521,452843919.7460143,344040558.8224124,356913130.7189382,386431927.2745054,583428206.4107728,295892240.3184039,127012657.2117858,184972261.9553888,253805795.8275301,327732172.0244628,348727582.0118963,664699252.6793481,395371780.4194019,273535961.8478879,289636993.4022254,328680575.1558172,253735914.9979477,523453293.5369924,175901247.4659284,414520865.5140141,357253659.580325,390188972.7520744,614032482.9418216,411195011.7459491,372202198.42717,514796999.4637088,351893818.5284289,520597669.4028207,325986424.9625258,279615704.0551981,427734972.9215483,478051286.6632945,466392975.8565764,442081127.1186866,565576438.8409672,344392486.7082971,209176399.4970928,479226659.9624851,445962321.8720375,455989645.0168555,401341756.2853848,474925977.6047311,601476231.5317845,845284652.7286159,220618496.0682772,490059839.2480032,489237983.5249549,385817308.442119,538260827.106709,451834541.8286281,455565978.2314279,370357867.8252863,532199474.8115388,475483774.8411347,399376830.0592722,363149181.3279285,192742718.0430616,454793951.688784,413101982.9618371,461677429.1881622]
["Com_64_neg","2-Hydroxycaproic acid","--","C6 H12 O3",132.07815,5.702,131.07088,"--","--","HMDB0001624","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",5775514.894419512,1914155.36487513,1962489.867367829,1282966.998450402,1969346.929674178,1592957.706650776,1129653.715112106,2769296.65383194,1555388.050744231,1581166.247340757,1265216.436593469,1505075.423259449,2253552.417631656,3062434.399452318,899655.0840950442,2215919.083120116,2789487.969278088,2438414.774975506,2669210.574031473,1971652.298747869,1549609.223210513,2621540.470256931,3511889.459370987,3451332.475031467,1601557.393401759,1633499.573414289,846208.535944704,3498833.783668372,1626099.271442728,1578810.830068818,3531186.828590009,3613086.004520027,2904770.198771918,10235052.61225631,2077788.196482349,14858025.66964763,2500702.325820564,2028622.368612206,11621162.87084714,2482475.04626202,1580884.9882937,2410104.653585376,2129363.16998886,2058010.412932786,3367366.739175292,6927443.313907179,1533813.852437053,3302320.384726253,3219982.087116242,10341420.81075965,7856103.38195747,1999474.026450992,4593396.482421877,10321033.10493513,10368398.4223967,11497220.96286363,2196094.579355899,1888167.991910285,197961294.566612,189114774.1807377,188570834.6374736,194962628.9574295,170027336.9334415,170466501.820843,178529870.212332,169421645.0671815,197130722.867681,189455410.5524216,196740510.0429658,215145909.0992137,188636736.0659699]
["Com_71_neg","2-Deoxyribose 5-phosphate","--","C5 H11 O7 P",214.02363,1.6,213.01654,"--","--","HMDB0001031","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Pentose phosphates",418562191.7341476,200755540.8280354,327868371.9896945,233758067.0349785,355531294.2502725,257874808.6575132,245012137.3700494,222937322.4414537,347973136.8333695,303174496.8594322,312191499.87103,333341617.2468503,306746950.8331168,280965652.5615681,301039253.0253162,475781286.2833401,216163029.0570879,74910125.69890581,76184475.36559331,187787295.7026221,53404389.93013214,242341875.046758,295570390.4798402,339823847.5588717,200416549.4836301,221767209.4203353,252995196.4298733,149201252.3186972,441419636.9280674,88402977.34457153,332250084.0999262,263019044.2269129,320456126.0813508,522173956.4153428,288183339.0959879,303221457.1322745,406606450.2767867,241161146.926196,424411506.7302001,246182718.4376002,228170259.6626792,356047174.0268874,386490113.978102,382350683.6253469,307531286.6419799,409426191.8177055,218228856.9536996,101195475.401556,359789595.4492754,322182054.8309089,306807844.9051309,304419677.8923582,333766550.4286249,448707558.0407418,543715344.0807811,121278758.0859782,408882793.4671207,344948009.6114291,420856367.250509,507360722.5100379,435959684.5915135,444242839.0540495,337879767.946677,445256977.2818341,414946062.8980673,319814421.3657924,347897862.9136939,85395839.68455017,390061595.9336427,346636475.4415436,382155462.9218257]
["Com_86_neg","D-Sedoheptulose 7-phosphate","Sedoheptulose 7-phosphate; D-Sedoheptulose 7-phosphate; D-altro-Heptulose 7-phosphate; altro-Heptulose 7-phosphate","C7 H15 O10 P",290.0395,1.6,289.03223,"cpd:C05382","map00030  Pentose phosphate pathway;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids","HMDB0001068","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",918005628.8667324,914147472.1011782,911704989.7323586,1031376558.304625,610661801.2090856,561950901.9873435,538095482.963838,568861589.8030759,804070114.4929935,222083078.5565259,624461032.2772232,558073018.172441,468745029.1198862,281490123.3571485,321091413.8515877,1023365284.498673,994707812.0987298,535891516.4642968,961166792.7673,806464338.8524324,284556718.0874217,1169209573.418428,541313185.3335594,630111459.978311,869539585.8344845,558781574.048505,654031083.2343874,1414726979.952943,923985122.9003336,854202117.297802,389856374.1407331,583029092.7423052,425872522.9148166,656523812.0433096,373862322.307035,349789689.3932048,797157154.2089491,617878393.9998528,969929791.5287316,450441871.4713807,405095181.6920366,727989159.593434,653286078.5291817,921651610.2905684,1835478621.809231,925700447.2281553,2092578961.957804,925152541.1271036,702545465.3860103,1011963425.950343,546433093.6659112,461639606.5916813,1191250781.789304,819711766.9051813,405264276.5180483,1199057461.522016,636957641.1667845,1298063839.031795,152252559.036136,144041330.7041269,157785755.1342617,149376235.7029369,152606319.0437548,201027768.7933879,107483585.7866932,138511096.5228247,132711136.1487649,127216481.7560141,195601011.7800749,108909102.1480782,124314701.33157]
["Com_99_neg","3-Phosphoglyceric acid","--","C3 H7 O7 P",185.99249,2.918,184.98523,"--","--","HMDB0000807","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",1799353.9669319,1777046.730448925,934552.6949185432,769325.4799414636,1368288.064081709,1233448.162466507,1004731.118229288,13146345.32625992,2445745.618704653,43343693.28406755,811109.8708644122,941349.0960216314,4483159.0886396,1751713.613684493,1577665.683033888,1095243.116705858,6259711.569836137,1570936.60677166,1213974.096817554,1235642.903551711,6969001.874133065,991646.9803725207,934811.4614260128,1154460.174159429,773715.8678278895,880289.0861057227,8767371.29447163,1554577.659675719,2139690.560517815,1092645.936143114,48790054.1933286,1587933.98448816,1464474.81112561,6934310.311680562,1419076.784667715,25560111.61412462,2691403.413349077,10010450.71773066,94329812.57133746,1356874.415111566,2134018.927315887,1651314.366063695,911474.157209694,1285339.20397583,1170514.811425355,2973237.962924824,1654955.447587435,5675167.672693456,6371560.879130848,2143183.249395598,15286892.73098632,3036739.006479023,21061578.76611793,11482633.40763664,2531488275.96192,3822076.651330441,22662034.98258498,1165146.357368553,771297.586021311,1100085.965632912,1014084.712029704,1144493.629407541,978533.0377181288,1372848.603750811,1033512.10953651,1318134.371088031,865817.6481322199,1693080.991132306,1371270.54824926,853813.5606213409,977379.7423377212]
["Com_116_neg","D-α-Hydroxyglutaric acid","--","C5 H8 O5",148.03671,2.115,147.0294,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Short-chain hydroxy acids and derivatives","Short-chain hydroxy acids and derivatives",25465738.50273292,17808638.89741796,13759507.13198484,15181226.86725984,21481714.60963714,14236309.71915694,23608898.36039716,26956674.43478331,23159833.28310104,28928556.37672406,17112520.02823307,15888349.57285117,40142122.05453773,22350780.80077982,23709941.05712408,23598350.74275964,25763204.08600993,48659065.52867704,23653162.26555648,19460159.43323606,26978114.92466595,18712620.36250091,61921203.94007633,18963994.03680911,24473198.71451203,16739596.17273546,36735202.24107588,12109467.77833187,39174202.26916128,31776637.38401797,62173724.22310203,38006390.03944588,36074425.0201222,79456203.95268096,20871265.72481652,65130720.21328397,20105170.29491541,48731004.07230066,69735884.85115679,105435210.583443,14205912.2758306,37830741.14032568,24075643.80222796,36617554.54787041,22908547.85092006,46854863.82384674,33804783.59107825,32287600.80996361,34768966.57593995,43328588.52028006,35681050.55116647,23473143.52839598,25354260.84623772,48504247.93372147,75097611.96460414,23825131.85705847,85050644.62315066,36161264.15980084,117463347.742389,110780403.894265,119939865.5008169,165364887.3639439,144163597.0534349,124534935.9923092,251892646.190298,167965889.8461935,155735278.0606899,165638709.8640443,136480811.2544871,141010215.1535309,163749501.9778427]
["Com_128_neg","3-Hydroxybutyric acid","--","C4 H8 O3",104.04696,2.872,103.03968,"--","--","HMDB0000011","--","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",880186493.1548688,885493018.3969154,595586414.4637913,560667764.9753028,250968893.7768248,714586031.5541352,538033647.9046026,399882236.2221738,691955443.8948588,344654540.3911135,406413220.8812004,709632946.5158695,527381507.8109118,321793119.1176499,462739511.8683012,499021269.5930528,400559034.9199317,816767282.4396068,503688962.5200369,683549114.8182492,584583264.3089093,596485034.6204787,392197824.3107439,725937960.0197309,448677091.3971009,565253302.097709,563802607.1955279,697867644.944318,337156041.5424483,445010335.6637567,954314771.7620406,620811794.9977382,299481451.0326062,1003851087.418465,550258545.2544161,974095560.9581016,1161053623.395071,788172991.1224957,386933874.7529321,882333659.9514806,87574606.10235545,898226843.4986259,931072365.583776,896384475.1895351,734015071.5059434,929332210.0555032,271965670.5287194,1160930964.044675,758621584.8668082,1402267642.030481,572560321.3380785,408661018.9477461,1479694039.909902,336088716.3137168,548466489.7191753,388135216.7864947,486044528.8390813,501621811.7563503,510157981.344779,380806177.6550728,565438549.9424826,262837839.8716207,527315112.7378373,687766147.322528,472671796.5443116,469641677.3988012,430560311.9155954,453861389.5287167,429816904.1425716,528180984.5954902,555606529.4443417]
["Com_133_neg","Citric acid","Citrate; Citric acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid","C6 H8 O7",192.02653,2.271,191.01935,"cpd:C00158","map00020  Citrate cycle (TCA cycle);map00250  Alanine, aspartate and glutamate metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0000094","--","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","Tricarboxylic acids and derivatives",18235342.43321299,14657317.37633433,12672589.77180094,18000891.02764628,13701242.95732403,10722427.94788176,23078424.31387569,11689521.14230746,11075507.85175928,9799724.472205378,12624988.24546254,8550547.504719164,43748232.26725584,14345300.28311893,9435134.898304507,10891569.53796902,11583412.0771382,19902182.31476487,17618130.08047988,7737021.380447241,13006317.95118124,17711495.42648296,16833189.48465144,20997830.730266,8629848.541467983,11756066.72975306,8518863.119978568,21584517.97143851,12970019.76591568,20127056.97575072,11944621.867249,6697246.535835439,9948046.080472115,20633568.16543461,10546795.14072922,14239230.27562795,10905922.49594835,7712272.996452978,18568726.06783881,20084268.93486227,6496240.464212592,23230653.33355445,21436871.091789,46860653.39349382,41780674.38651837,24816324.8648231,70527983.08087596,30498158.58155893,15734994.09157833,21058532.59381174,14590845.3263734,7805746.881478348,92146339.02863264,19205456.56559756,22338907.47319987,29132454.43509628,39286211.28294677,35204609.21028256,86742125.6522352,95225326.8014114,108221448.3842892,121610040.7323795,131996423.2275742,127117545.1037295,130151890.9022011,136142061.2132243,134331906.9914404,119613081.6660376,137949581.7451854,135210198.1976306,125143952.3931943]
["Com_171_neg","4-Oxoproline","4-Oxoproline; 4-Oxo-L-proline","C5 H7 N O3",129.04207,2.116,128.0349,"cpd:C01877","map00330  Arginine and proline metabolism","HMDB0304793","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",490987970.1808088,634517811.2078773,242858871.2291048,278253782.7013653,277462087.0564395,180390306.9544792,184558210.5824033,223899500.2115813,402394082.8663886,132590624.683871,203672944.8008833,318793908.6979535,125099612.139396,464588382.6836561,418365666.3290866,277263009.5611826,488039309.899157,453124618.7024356,309860325.5176563,405704361.8500022,299740708.108477,314926317.0350254,263554981.9661634,494304413.6579597,65468610.6719228,350439177.2791907,256678770.3494552,376609464.6588193,233161824.0397028,129809131.1318991,480451069.9722276,346409207.4077035,486793193.1702582,778182382.1906836,396174523.4860216,825477378.0792866,532225960.8156092,472930816.8189634,606377012.0760524,644292796.7611779,247920905.9750343,360240061.3879483,796486808.7999299,403288118.2083362,315570750.8645239,293204019.7198894,262846871.1973848,578152601.8599868,487465795.9026415,569010384.8466773,701303994.4789815,521984543.9302631,671416496.0523068,441094379.2290004,531121067.2407762,441261058.5257179,440848035.5247818,352600564.5104271,400100060.327632,535816748.883301,545567760.2196598,335324922.9578031,512231236.1453996,544622559.3313686,478552384.7726357,487190254.0610322,359668585.3234967,578117283.3167521,504290131.895375,499628422.016186,378560516.2494035]
["Com_184_neg","Glutaric acid","Glutarate; Glutaric acid; Pentanedioic acid; 1,3-Propanedicarboxylic acid","C5 H8 O4",132.04171,4.703,131.03448,"cpd:C00489","map00071  Fatty acid degradation;map00310  Lysine degradation","HMDB0000661","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",29047317.79645782,35312421.36644955,52515579.52955216,58011370.67466467,18458623.65435821,25227547.82982666,13687955.33616452,15217161.12444863,38585477.81543531,15101026.65415392,48419338.54469577,113280378.1946567,42906132.78600748,44248506.02872768,73225280.08838545,69749104.29084374,66446378.96135451,25223743.61607269,22440143.67532765,110542363.2231989,51798500.38916806,104934319.2176692,41186426.22538459,60908230.61341052,65568370.67789554,54983432.4661604,48919448.18249469,348024026.5015323,65883092.23122033,55010889.13917288,133714300.7187943,83744758.57514617,64374606.76401372,41363156.41617792,99844046.28212976,78178223.94760726,105306491.377683,100788663.9567889,45192468.90801665,102997614.896207,15317491.70626889,56743267.18989912,97563674.59126678,15570272.4315158,73446951.30735962,56580777.23128626,64425993.89197502,142824315.730439,76412081.02741633,136104825.2013251,57720038.2682794,58325681.54153332,82907148.64147234,35559096.52712835,34408391.27105235,35541156.88003377,52550872.41248423,32668726.02431107,73061556.3035344,80423859.40927315,83333453.34007575,53023185.77739947,78221199.54891118,53035154.94372143,72637466.99811757,76836173.09110199,46982080.32789523,83035658.46382941,80651641.5377322,54872178.60157605,78990560.20729192]
["Com_249_neg","D-(+)-Tryptophan","--","C11 H12 N2 O2",204.08927,5.182,203.08195,"--","--","HMDB0013609","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",570902449.4950255,420063242.6362914,345451152.564002,419661141.1240073,454541928.0001044,454087604.6890256,393433787.9130764,520122075.0972757,452342671.8400739,413737762.2929311,455915054.8038249,545663904.3241087,422211952.8675227,592816667.1549999,476033702.0586966,435502228.1032606,251483047.6707081,483708607.3822334,599804734.7684383,520087700.342159,412825302.0397441,346659477.3727817,338955460.0534464,497965865.1073966,381708258.4905066,478432455.294759,404368076.8610703,359295771.9382522,395519608.9962513,382143507.4383234,402516518.0020243,579763690.8788179,434606163.5206364,438051795.1195334,516628159.2258429,464251022.9510253,401106665.8521929,365031717.5191289,445554743.3432883,517013353.7726898,349456902.6475322,339739062.4973933,504406729.9264305,391665806.2903544,319718854.2971385,421532066.6560592,445459924.5462738,326829143.8360872,525808768.0880846,546646860.0655696,310422710.2693992,409788725.3056211,435162227.946536,439720199.1769705,648367313.7950041,437650911.4290054,496190548.1407029,344600688.0990231,289914833.590355,307505485.7784305,300076924.4865474,298358786.2176558,286062863.1316537,297400898.835954,267241377.9886276,294110733.3044247,266038882.4798552,279018580.492417,251796061.2678756,276406624.9148925,288395818.5953963]
["Com_251_neg","δ-Gluconic acid δ-lactone","--","C6 H10 O6",178.04719,1.451,177.03998,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Gluconolactones",28674811.22628228,24444978.52332203,33199042.3119278,25817071.39558784,39461726.37284516,34164422.02708893,45753380.92584635,38669133.14100929,45358520.10042385,55984364.87737934,54162733.98150162,36168038.7122665,62326849.15896973,35714832.43657753,46829691.38648441,27375669.66692685,40850524.72150824,61935951.75332571,31955296.63907598,28146441.0078076,114801713.0348312,34234219.16693397,73804580.912334,50843356.75828064,36211755.43295386,39823595.72331229,45362387.17972866,40055927.59497197,54756347.92542242,54974128.78305528,22902437.00257608,27511288.85395799,31583414.94433552,40052279.17689322,26278149.36863037,43437357.87962919,32820750.01364496,37386386.27880598,37776275.42410026,40583147.40076572,57467571.61026341,30499375.12991878,26968187.78664477,38576494.15299951,23110079.75213876,22054929.63008421,24898493.98684624,22945163.80601836,30843257.89252964,20913518.37183569,25202588.44403982,28278705.35928502,27848081.80492379,16499154.08157276,29504155.08196814,31233354.5536188,45738430.73285141,30232146.11449881,94720406.8989177,84949401.84847236,80951187.16067365,85054050.27996553,76901881.90798135,89143648.42590868,81030496.22465828,84978872.1605627,84894265.09947188,79034076.07853748,73066406.5353237,76523487.47831422,81908952.23878504]
["Com_1085_neg","Prostaglandin E2","Prostaglandin E2; (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate; Dinoprostone; PGE2","C20 H32 O5",352.22437,6.641,351.21713,"cpd:C00584","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04024  cAMP signaling pathway;map04080  Neuroactive ligand-receptor interaction;map04726  Serotonergic synapse;map04750  Inflammatory mediator regulation of TRP channels;map04921  Oxytocin signaling pathway;map04923  Regulation of lipolysis in adipocytes;map04924  Renin secretion;map04976  Bile secretion;map05140  Leishmaniasis;map05143  African trypanosomiasis;map05146  Amoebiasis;map05165  Human papillomavirus infection;map05200  Pathways in cancer;map05323  Rheumatoid arthritis","HMDB0001220","LMFA03010003","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",6301622.078060717,6456746.825152072,6569683.511499024,5101520.390970381,4824025.760620876,4994599.516277786,3199494.021862981,3384887.04303101,5049826.125080716,2468131.297638013,3413252.595775519,6013404.979572193,2795973.736182813,6997793.616427123,5144707.650669007,3311534.728404102,4825952.015401538,5609433.723802315,4127781.776536244,9426436.67367846,11761101.06005446,3797646.357146209,21008998.36274666,8014054.218630129,3383625.55469126,6829791.079814702,4363208.762600285,3366900.113126867,4067040.110320331,5376607.622722715,33747819.27064054,16447947.82327528,12432354.68101453,22987422.66153295,26035056.98601542,42607251.17362439,12091602.06665128,7113548.085905936,6013905.989061794,13642677.66902142,9129560.276638577,18150012.23744161,14238139.64433678,5154493.206713566,6159593.536545727,6182899.297418007,7434923.738037605,14257780.46703654,14517814.6547402,15127648.31393689,9361575.235846931,16407653.86229527,11449388.95760432,4129778.111695971,12853785.90240588,8570823.096245363,22369475.30355477,3579993.948668342,18601073.1537256,18878415.76215288,18837639.73294272,16894175.53009917,16634154.48866851,23178293.43602425,14742104.8714518,20163099.65046502,14979472.27155856,14433009.58311616,11455961.85807426,17698211.24775425,26998686.96949902]
["Com_1192_neg","(±)12(13)-DiHOME","--","C18 H34 O4",314.24512,8.759,313.23788,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match",{"$nulls":4},1087879.060614873,829086.8460348744,1763070.404409427,1012891.99485702,587774.918620845,789835.2658148726,410188.8480139817,421762.847752952,1896281.534991408,446274.0792187046,424477.4753947068,856868.6110663996,499035.3311971629,2024614.140797247,1603188.628435734,1485163.496465217,1267916.352311843,925286.8516359796,1494450.622240359,935827.7103196264,743739.3613547828,905963.2513383616,756777.9152649526,752164.3070223163,485058.7499699491,792645.5678231083,698395.0685659946,1521717.164695966,369825.9130648365,920716.5907389596,1396831.559433067,990165.91366577,2487594.143492928,2737698.505882263,2674317.186610076,3102192.07032899,1616372.787052817,1261933.269109677,1818154.269674049,1643278.951367262,301331.2739323418,2627502.376421647,1404414.646406265,785028.5473192988,867744.0186458498,874035.4784286309,2204177.542480776,2910611.265301908,1847574.389674954,2637312.471897594,5527853.239989808,963333.9000752532,2767065.587465657,351893.2770532134,976214.8934735776,1981317.542776656,1716265.461726077,1008183.421324822,5287963.51671696,4576035.974462926,5413020.488854137,5891008.941119584,5884303.763914044,5253955.106138153,4683222.817013658,4951788.9359851,4823526.854801495,4873993.908866617,3442911.216917666,4849585.429021164,3876902.315526597]
["Com_1461_neg","Lipoxin B4","Lipoxin B4; LXB4; 5S,14R,15S-Trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid; (6E,8Z,10E,12E)-(5S,14R,15S)-Trihydroxyicosa-6,8,10,12-tetraenoic acid","C20 H32 O5",352.2243,6.9,351.21713,"cpd:C06315","map00590  Arachidonic acid metabolism","HMDB0005082","LMFA03040002","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Lipoxins [FA0304]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Lipoxins",1729997.525412476,4922980.483338599,1986043.977397814,3755017.495875398,2039691.684084263,3059547.231071256,2272637.985422278,3274715.07114903,1846989.047402422,1656416.472353515,2116075.951027086,1974069.735920345,2148445.341248637,1797689.903125356,1975105.015779212,2719831.638586394,2648345.638477736,1956099.899926895,1995538.764367817,2239808.836000616,2090132.052655604,3003503.196689546,1878582.664053757,2074646.08858527,2190558.765621121,1557383.500556684,3022540.501808754,2878427.022477043,2823355.502628485,1175290.285715923,4268615.378263143,4233275.877773319,4441733.764233452,10601845.8126662,6483132.871791072,4293004.896155062,3864370.158888087,5602062.551323782,2123597.642066401,1946719.706380274,983621.9700717712,3569699.127835843,2780558.818476321,3651270.612402513,4539061.797697056,6085583.791040624,4167084.304597014,1896368.408975668,2144010.329806171,2450240.798242092,1959353.209919105,1859440.501381312,2482275.71855922,3810843.707534986,3740463.184543301,3927991.759739184,1278307.234345417,1375551.176302238,3774662.15892686,3232989.546078089,3600278.198443587,5811651.807448912,3629267.684145705,3171335.013475706,3090096.569103801,4548837.140340133,3485222.226169486,4951821.724086284,2719749.412013576,3777635.01977616,4311834.980935145]
["Com_1739_neg","4-(hydroxymethyl)benzoic acid","--","C8 H8 O3",152.04683,5.421,151.03957,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match",{"$nulls":4},477682.5484692697,220938.1124319436,305710.4004566771,231020.9182210946,202755.2171614931,229153.9971637895,207164.9527670211,311379.708675375,217076.8131645024,217179.0755851178,251775.6041725838,343529.2164480337,222849.33396048,323968.6911231105,249734.7151120642,261968.8946853905,398308.4381520767,341643.1705816885,236008.2774833637,236416.4786848268,225793.4806119924,413766.7835545189,361033.1077995139,417514.0544275942,214923.8686171412,225999.7162388514,157700.7673703507,611461.1634429429,228083.3370420173,243726.8958120185,436964.8297121119,443624.0317275429,481326.8407105451,548655.2692251165,281655.1567273281,608950.4300767656,353658.1413520151,317713.4455060537,615328.5071951321,420942.0871195281,249509.0077543922,429810.3343702483,298418.236442826,294587.0694846669,384571.8728378692,300809.2885058306,408339.1881389291,302989.5669679419,446434.5562750435,715395.956635707,596729.3066014365,452317.695547836,390908.1796160367,297651.4051582583,467195.690081951,417308.7794557846,375853.8183818458,209311.9343926741,2915398.1612812,2645062.122335675,2594180.543926573,3349475.049223425,3010669.739559563,2313821.296607178,2727818.962361347,2661191.627118325,2620020.117664481,2791059.704202122,2565539.726147676,2346557.589955408,2818797.599859618]
["Com_234_neg","D-(-)-Glutamine","--","C5 H10 N2 O3",146.06862,1.373,145.06126,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","D-alpha-amino acids",432787081.9400727,274891319.2161192,364540545.7087569,141292931.4016156,399605054.1105418,641378430.4505543,421514157.0534027,309742042.5403893,387381501.0762998,376761658.8893749,289801719.4882072,203807081.9905856,537952048.997769,230095788.939219,366655024.0279794,381912765.96156,109418621.8709366,638246910.1380073,212058370.6146527,156959274.9413425,465668431.1368672,137607912.1628861,381696275.4016796,311669155.1039389,206500597.2064016,545800517.8387746,254613510.1220769,198627148.2049001,447674866.4512485,454893774.0407105,309575837.0954953,325998966.183423,320764742.5698397,404724743.3128141,249101125.4058274,431227485.1565078,209411466.8663495,280750283.4106555,408949355.6956787,367892428.5996136,300298367.2282512,222988473.6784677,257867799.6624601,348843013.7690577,185712695.9344385,368323640.7830501,115224575.0479118,241973576.2739724,209342385.7338978,228624406.3345221,277785222.2898673,298835362.2361982,312778972.1118017,445042475.3962864,655047797.4779655,430726503.9857805,294074180.2216191,296871174.5861327,247635301.520084,272805136.9456442,291789009.2306859,292938537.9879797,327557096.1320067,316416533.6844736,307907189.9816399,341197018.1517084,305046975.8215163,310376835.6408241,288613218.0183843,311210085.0812568,291006150.5899383]
["Com_4_neg","Xanthine","Xanthine","C5 H4 N4 O2",152.03282,2.235,151.02539,"cpd:C00385","map00230  Purine metabolism;map00232  Caffeine metabolism;map01100  Metabolic pathways","HMDB0000292","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",7899405049.779268,6880666587.511736,3964466195.184966,4843890992.283973,3514589374.301905,6507156267.03756,4457592230.839252,4861767176.822273,5203685390.31862,5891551095.630789,4977971679.61878,6261128092.802032,5924683798.974846,7243716617.537194,5826542660.987805,4312734947.8602,3548165885.418046,6445115225.883103,4560526658.291206,4009640238.156162,6357507484.063672,4537685685.545321,4410584261.959158,6270156330.187883,2549617041.275656,4814717356.560754,4813538312.125912,3364098960.097152,4375228839.554853,5048468567.08414,10081423145.12564,8402097212.414366,8056378150.946088,8760273968.408236,7206579147.910731,9742259088.76834,7860357980.636481,5841509127.706333,4858290109.908336,6479905033.550049,4246331142.409757,6496271588.85419,4915698095.197823,8510149408.913367,4564972883.107636,9286266744.483376,6889982026.19355,5991971640.951925,9282476179.143087,8425083005.517585,7568077877.87689,7886759547.373868,7129706422.593646,6318802450.587646,9861062511.353596,9307197201.672028,7560762256.372092,4299354394.815732,7055042917.34069,6828062821.273058,6565590875.393991,6413921336.974336,5909466210.273631,6403300674.2501,5609045145.343293,5812795253.842741,5911009360.114738,6137938880.738632,6045305557.076805,6420913790.10882,6812640524.866079]
["Com_11_neg","Uric acid","Urate; Uric acid","C5 H4 N4 O3",168.02774,1.989,167.02055,"cpd:C00366","map00230  Purine metabolism;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000289","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",796028223.7146785,788686116.0812161,788776198.9815093,975396702.6669072,418534330.3218011,416730111.5914946,870916280.1269562,270356399.5589628,590949717.7807957,836253299.9094225,461539217.772036,758073903.896933,937452981.0210166,1292180196.511357,409679748.6110309,657549868.6468364,660998559.7242835,704485410.2983214,484216029.5192195,633437568.1331936,857229132.9463779,1009615427.754897,753072689.6140372,1131850987.286319,700868235.2814311,635776482.7429476,341997976.1297497,895277955.6276846,520993840.6183393,380763990.9901652,1620596472.78878,1105718817.967403,2106753136.399363,1550611224.864748,792059893.7427752,2681125853.465074,1181893150.399131,790023357.2149789,1436514293.08297,730484374.8924841,554539648.3218501,1499852030.786621,1376168425.120881,667483932.8486387,921364555.6116704,703105258.1547635,1098334996.842733,1776798391.059584,1312668771.129949,3155279990.774107,1949667748.467263,1074581026.618766,1440730227.472368,1251611812.776432,1470942790.707254,604717295.6381279,1232275602.162495,623387605.9365649,2272400455.99421,1476410300.401359,2087352748.602482,1817411916.220292,1828819670.428752,1561104332.762977,1268454995.730107,1393971613.189108,1323360788.211474,1332993688.344144,1564917972.267617,1692820299.703885,1778355805.716513]
["Com_37_neg","Pantothenic acid","Pantothenate; Pantothenic acid; (R)-Pantothenate","C9 H17 N O5",219.11005,5.072,218.10266,"cpd:C00864","map00410  beta-Alanine metabolism;map00770  Pantothenate and CoA biosynthesis;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0000210","--","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Secondary alcohols",1696548956.395743,1189036004.175026,1204550080.658606,1028440985.530192,1497531672.128658,1598129152.583107,1346667901.422636,1497067329.960393,1742423264.679171,1086927019.528523,966603084.9247856,1329567415.241985,1279860622.466246,2498679394.639633,1613005990.314833,1585876359.735702,936254281.396746,2347273930.701551,1292352903.274227,1780271556.843671,1666784768.842958,872757060.0537493,794962158.7228853,2242372055.648892,1067710963.840332,1484600797.13404,1144123310.218705,1083646177.690213,1501517577.521752,1299341794.092272,1776262684.39241,2458252835.36217,2019423634.186307,2658390220.975491,1964593097.245733,3325172067.598744,2944250933.865677,2197846249.054902,2119057339.583156,2881516888.234758,1228143577.13987,1637283735.43337,1734584671.372097,1282041516.680443,1168915900.286291,1945844096.75089,1701608580.937017,1463492642.929366,1753419208.284396,2326111800.655412,1693295246.005033,1987797260.198726,1642835410.677224,1568708088.595684,1503050069.206107,1491171496.703859,1605974723.927331,1267919187.464427,1313106996.32217,1256295500.351707,1354675212.666399,1334197875.350033,1357329525.278023,1288258755.295382,1304013701.602875,1366675201.939135,1218537055.526357,1287183211.681397,1331081523.407329,1314771233.614965,1336632215.970771]
["Com_9_neg","Glycerol 3-phosphate","--","C3 H9 O6 P",172.01301,1.603,171.00577,"--","--","HMDB0000126","--","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphates","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphates","Glycerophosphates",3156553223.591121,4988730080.213723,4863932319.654272,4220470996.904197,3361568598.853949,3855286040.411884,3231368960.996224,3164426887.80525,4613995608.014694,1605163210.034602,3052665820.525026,4534500780.67035,2230306758.634858,2680379874.546386,4021310704.319468,4187995747.900497,5555597704.842602,2833097271.046093,4179907568.656329,1985246991.351142,1686493024.033684,4361732526.743726,4538771011.76267,2925602677.653561,5046600357.846574,3033059012.076533,4969902619.258016,5109687546.205019,3809050257.398741,6425095889.89239,2579912597.049854,2496330092.840902,3035178875.384806,2113313313.016178,2238467310.690617,2213325437.612889,2992560308.030841,4379485798.428999,2319117666.34816,2929407405.551132,1863827876.516869,4168249290.389735,3565821369.515816,3300709807.043572,5899468741.53655,4378784212.766521,4280047986.781495,2682582590.418593,3818607996.110315,3457064600.89177,3865969776.379569,2295068946.187179,4832996532.619617,5064913960.080287,1560652937.587763,3890434119.552242,2082767308.410101,4552821113.986149,1166796940.70716,1244230441.134365,1577030548.291881,1362827367.101332,1056197306.408385,1478710534.997482,1255591025.118822,1150446542.663808,1211322588.081573,1203273594.026575,1282987664.017625,998555676.4580696,1093161201.312243]
["Com_55_neg","Taurine","Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid","C2 H7 N O3 S",125.01416,1.49,124.00693,"cpd:C00245","map00120  Primary bile acid biosynthesis;map00430  Taurine and hypotaurine metabolism;map00920  Sulfur metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04080  Neuroactive ligand-receptor interaction","HMDB0000251","--","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","Organosulfonic acids",388295022.1833211,601093690.6019496,175314797.1680672,341962320.4255368,416426971.8770453,335661302.9771901,146832005.0987408,476577436.3822517,119662846.4849109,199492753.4661466,122642822.8188566,472252819.1375591,124210150.4791013,208134167.2884043,192322166.7107596,136423673.3371626,487178707.1983045,450352886.6844919,451184116.9466309,211735614.9139693,285118296.3746785,351546863.2690867,519153426.6276452,408641777.2882545,240018265.6775837,405353667.6639932,450510018.0395095,511875249.4273314,129217012.9237771,412723171.2616533,704843834.3639966,663848127.597329,978543998.4263892,1101964824.072852,591312554.4778042,925126394.4897176,793290064.6440688,605844468.9115602,1093102917.874416,761178198.7621549,392982956.5210238,175813950.5142966,754011064.365191,532321379.5713176,825021919.2000548,494099066.1075163,599616185.652738,435180014.9355964,759367144.4078615,697683934.0551555,963100899.4351568,350993281.2198284,546215065.50388,854819798.9345839,1024555456.975808,689610736.6769977,851621255.1820016,620609553.5476154,721758118.417081,690756069.5758401,738930533.1716896,798921581.1908716,701966872.251769,705679620.2248712,714826428.5467864,808641130.5702785,665853329.0431511,705468230.8407236,703749372.176576,650541108.960784,767850728.5598437]
["Com_77_neg","Xanthosine","Xanthosine","C10 H12 N4 O6",284.07499,4.714,283.06763,"cpd:C01762","map00230  Purine metabolism;map00232  Caffeine metabolism;map01100  Metabolic pathways","HMDB0000299","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","-","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",671142163.1523148,627462140.9689981,587708350.7963457,730136437.9260083,1074488984.172565,981149985.024524,1474496385.037406,1073235980.94281,758723165.0537782,1461126914.586653,936637768.8787998,1033035047.609223,1037862669.817479,1001585282.106312,966940454.6384724,730174644.6961112,698840384.7974504,972064580.1160464,725503767.0123305,844508997.7284933,1095349584.66263,575154391.5624537,868804817.2456625,833205252.815813,766098542.1409541,1061653536.428489,1120056745.055698,491473817.4520956,1076703173.859136,1162043119.721496,1128998363.351445,985858498.3343484,851793048.5177693,1211467728.118026,584247865.5519774,764602449.6161823,616462714.9605261,998612012.9496472,1164011502.881819,777715236.7838033,1015060042.786659,1002597516.806612,889524840.935584,909270903.4093246,557345479.7778814,954727022.3081462,554293898.8846375,723859356.3107045,970278104.3467638,864503775.917761,1123342881.919345,1148687460.236949,658154866.3853089,791947050.5263513,975350563.181756,678555477.0948315,1480802631.086482,681885219.2079415,456781812.378745,535393610.2550135,473057035.4735727,485551175.6019125,465241262.2343836,480699217.1784115,436780860.5212989,440599844.8681418,429559051.8138145,489718909.6026366,379072296.4619198,455468882.8940176,462096973.2700211]
["Com_125_neg","L-Aspartic acid","L-Aspartate; L-Aspartic acid; 2-Aminosuccinic acid; L-Asp","C4 H7 N O4",133.03694,1.394,132.02979,"cpd:C00049","map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00260  Glycine, serine and threonine metabolism;map00270  Cysteine and methionine metabolism;map00340  Histidine metabolism;map00410  beta-Alanine metabolism;map00760  Nicotinate and nicotinamide metabolism;map00770  Pantothenate and CoA biosynthesis;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways","HMDB0000191","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",379993887.1640176,650541046.2502573,434772500.4911047,417146013.8267201,434900749.6394143,540922725.3336804,325143075.2080058,579691562.3630291,738646084.3580495,147313951.6617787,341954718.2293795,434258252.8889897,187053907.398638,807470594.317241,580072663.3878363,420461497.1767286,237923579.0537479,315658488.4949159,852209104.4301487,513426143.8376685,319685411.5602531,296203298.0384071,200427281.6144024,51207945.83301342,413905935.2783219,593758906.0488144,356577158.0490503,362334900.722698,408791266.9205763,361621136.0365226,232505552.0254591,444878369.8727104,330357363.1198499,402724988.3050386,752804993.3338072,59605757.47851694,356041214.8049876,374616086.9619842,304122586.2893733,342891713.6966856,214987526.3448529,243542572.416949,310897209.8020947,346881584.4854393,47045622.64835888,442392761.6346941,495883690.4585256,474362541.0015724,428963191.6605195,590716294.669849,496610277.4599724,312570225.6311599,692537761.2422874,313869400.9245545,347826132.3156835,758252948.5169516,289184299.1885863,480480237.313514,524224796.129,471951837.208474,576120902.6478676,595264801.4457754,579122596.0890762,672441742.7108614,567058929.5169853,739644675.7318456,604934036.2162057,606472663.8794404,549224621.0027013,617897097.3578686,602510184.2244936]
["Com_201_neg","Uridine","Uridine","C9 H12 N2 O6",244.0688,2.348,243.06137,"cpd:C00299","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000296","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",274808612.8361059,351085185.7169691,535829847.5542252,479077427.4282332,688498671.8275706,428201450.5057284,513074498.3936854,279290732.9366688,372207301.9298061,297974557.5969381,599999614.6637782,243010885.3459758,189069058.8023959,63168022.13335454,268969216.0056884,397184114.4144819,379161853.2171796,104308270.2131983,496086393.8247368,382033043.0183399,277950599.7300577,721661054.1471524,425795888.9049811,85313487.71127558,448346521.6895521,71566102.4054126,413759204.2578924,181258325.4203826,370877726.1552239,168393048.9759164,71677429.09784201,90768241.20117266,72758109.87094752,56472138.23655688,63309105.45676096,50800315.2606281,51338596.7957115,127027757.1008279,151783953.3050243,62346766.18722685,223898042.0651881,115639826.8659897,118413244.8787731,699886443.9501708,417503874.5532224,187518279.916338,113720778.9933803,107979914.4083481,120359870.4777016,134872059.0724628,81220432.43958467,118763453.1661752,115468010.3211732,317012039.8519816,142440893.5759509,268670815.2900952,81153382.15382476,416507194.7864827,190580915.582165,220864761.7879366,208737810.6671573,265967084.2117692,199464599.9392083,186809440.1908961,219913395.8853457,244601526.4864868,228740437.0417192,248297381.0748851,206804462.6695993,227207044.9192053,224835754.3388289]
["Com_191_neg","D-Glucosamine 6-phosphate","D-Glucosamine 6-phosphate; D-Glucosamine phosphate","C6 H14 N O8 P",259.04511,1.555,258.0379,"cpd:C00352","map00250  Alanine, aspartate and glutamate metabolism;map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways;map04931  Insulin resistance","HMDB0001254","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",12532168.6829382,11787479.66437171,11309199.32442926,10182693.18534244,16820403.09622573,17366984.93459665,20901942.53367564,19764233.44267214,21422014.67310693,33508299.87402586,17190434.2305604,18793584.7815326,28695616.12551513,20877706.58512327,17267635.2895104,8853043.39093329,13561590.19995122,29596980.88688511,20563570.48934888,17879851.01720284,25164544.71084176,9824026.955351043,13568792.15805859,15339303.36008633,16591657.25825502,19323316.57297147,26021380.59372224,11633408.04313209,20867407.81027568,25856893.97106375,14671419.32731726,18938326.04275251,16029156.93065858,31018325.97199421,13923454.41715918,32571364.7793555,16784364.51928945,12135073.07643421,19148184.95305418,23018250.72949944,17413964.18401426,11345565.77553596,12292802.63618372,12443464.82064188,9241168.967996428,19450913.181756,12412252.34105318,11153290.39508043,26293790.01230618,21753703.38255615,14083335.13904413,13213179.80193498,13349190.05478274,15879645.33183349,17797689.23989171,10355465.02239871,21294504.67860435,12573049.34068282,114244040.468745,102205080.2546213,118756961.3837099,129052017.7020676,125016637.3545426,117684239.5035404,129403122.5727796,99834497.4639508,110505566.1962796,115662327.4390281,124281934.0091239,118546579.5783448,119251077.5864019]
["Com_253_neg","Docosahexaenoic acid","(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid; 4,7,10,13,16,19-Docosahexaenoic acid; Docosahexaenoic acid; Docosahexaenoate","C22 H32 O2",328.23943,10.047,327.23212,"cpd:C06429","map01040  Biosynthesis of unsaturated fatty acids","HMDB0002183","LMFA01031176","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Unsaturated fatty acids [FA0103]","Full match","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",380636355.2202608,443524908.3409218,482574413.9610601,421102716.8062934,384517255.4919471,447619870.1017203,170616861.7329636,370716262.7482906,374651710.3708567,172204785.6335306,331766148.8795703,535118459.0841171,188945967.6765741,477103573.4953849,445142638.2982733,549769403.2931181,321179887.9404817,267227938.3830014,448600951.8082021,414266576.1676495,275541579.3398787,311638768.9171554,362891247.6447984,310463712.7171386,318511941.9394671,329339050.6844514,237308544.9756201,367126413.3062068,302069229.6535765,253919767.2661985,310047989.2122511,343089031.5476272,347418840.8289221,465636823.6763213,523095193.867556,299507152.2078249,496841316.2804942,653802604.4397324,276290943.7074738,517084632.2010489,223875586.9659904,319393514.8269788,408813386.5050683,449110401.1469256,482272375.5185639,490041250.7890875,391926345.3276358,332350651.0846352,359447179.8955148,491576180.8971437,328230620.4113258,364198453.3369726,347125757.0078391,349299191.2667392,316503234.4889818,555818346.068603,342817266.5791031,412258062.0957313,406567000.193556,417322663.4845034,363237289.0058277,409138166.2148936,334253213.0095302,345642169.9724309,339879140.7004907,333070763.9575639,383656517.6637879,326297862.5969064,279758170.5905831,338673286.9027619,347360368.1503881]
["Com_65_neg","Cholic acid","Cholic acid; Cholate; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid","C24 H40 O5",408.2867,7.414,407.27921,"cpd:C00695","map00120  Primary bile acid biosynthesis;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000619","LMST04010001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Bile acids and derivatives [ST04]","C24 bile acids, alcohols, and derivatives [ST0401]","Full match","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Trihydroxy bile acids, alcohols and derivatives",29288126.236897,2053230.197465189,21279611.65198778,2183155.382886078,5811139.30159527,11248058.41627378,6302506.736408281,3608599.993897539,243952670.3291421,28616598.58600138,32311267.17935458,1986186.598728906,29090696.43550261,39001522.35103253,315242299.3234088,49221836.34136256,2468933.804692807,4517214.44468435,18901592.47760474,96302533.38340928,17670934.90050822,41245363.10282432,20390345.41165958,155687452.2831293,71612872.32521145,9172190.510365125,1310878.522773579,14203041.67213184,7913930.40556374,7501280.403283705,42012594.66183679,8702217.581679184,66450753.531982,43192583.38905893,5991937.580981909,55993164.74183011,12450652.51388074,2840276.040769568,18431478.84425248,2682080.469231836,78765306.150076,66262307.9971078,14305939.74671697,5301457.114097758,15448564.16994884,17453710.58354966,34295633.10059512,21876604.7467228,30099371.54203686,20473372.80477474,40429172.05827788,75522595.10504377,11960416.67171427,39739573.2831274,18204680.76961388,80488149.47971942,86834351.55298765,4166285.430460363,725710676.253866,652474781.3245335,814831472.2752249,754099444.0066237,707637387.7822657,626963142.6175708,595689840.0385545,619709687.4439453,510750815.3278254,571127382.7501507,479422010.9504479,697390756.8544194,532845593.9686256]
["Com_151_neg","Azelaic acid","Azelaic acid; Nonanedioic acid; 1,7-Heptanedicarboxylic acid","C9 H16 O4",188.10431,5.856,187.09708,"cpd:C08261","--","HMDB0000784","LMFA01170054","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",69682680.6113536,27826136.4491303,29354155.35745059,33575066.53614675,32392844.56436827,27954193.88738654,20762247.71866644,23757471.80132279,30388090.48555516,22902036.71018315,23044614.80953324,18632500.52412747,21725172.22273274,33348839.85561687,21988637.37447398,27853023.54914945,17852126.08907086,30117845.00839529,23235352.97371323,30555214.62692257,49799057.55941972,20250332.14707381,27222730.58185362,30023442.2244281,22045170.29875629,19668128.17040868,20165018.69747459,20955354.925244,26440337.83729075,20155963.55720495,30434657.88846341,32960957.82734144,32961706.57003764,52864283.61793472,24690571.40752374,45079479.29941314,33001550.33005217,42215469.82469982,34239831.11169054,33733559.14410937,23097601.74050412,28903871.03207327,28205375.52107689,30344662.45110715,50751123.02958424,39301900.61224792,46463952.66438386,25198538.53582553,34272179.79267524,44199798.21220125,26843009.2543448,26339641.01955239,25069747.581025,37760158.84180097,49345582.09306733,67093829.3378142,43885070.1806619,22526216.12625452,124630888.002893,146848150.1000789,133138840.7025317,138618308.7936413,128268389.8860169,107133313.4972524,128318246.3320733,129679240.78355,135495934.7418931,136874642.6228692,127789608.416671,140941175.9937794,147652527.5790748]
["Com_1523_neg","Thromboxane B2","Thromboxane B2; TXB2","C20 H34 O6",370.23474,6.249,369.22751,"cpd:C05963","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04726  Serotonergic synapse;map04976  Bile secretion","HMDB0003252","LMFA03030002","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Thromboxanes [FA0303]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Thromboxanes",3858997.468621623,3820325.896308133,3399700.167715523,3830724.455111367,3423885.849846422,3811284.814436493,2024299.717950921,3022586.25636728,2807029.468300612,2225122.417108508,3180047.18518361,4049899.52357885,2050418.19062898,4963921.365067683,4451344.842170381,2881403.16057978,1744555.983122124,4804537.499334778,3546418.882129446,6106909.427851356,4786771.898366456,2991297.363731887,8299005.57369079,3953248.359842367,2000764.46205518,4827869.637467279,3714723.117802892,2282735.737411048,2993657.370640604,3462513.491986177,6462714.438223301,3917679.544510376,7708044.259257641,10497351.98162336,10476242.35810959,10074713.39568919,7658748.468290566,4593595.961668071,4522793.4800649,7030384.749015975,3512470.158684393,4348370.315726385,8182608.486174847,3429458.730238686,4567262.152300782,4858514.429191397,6273812.671211392,4947544.086115496,6978229.583386673,9067368.440085584,5436787.556495349,5647495.31774253,6154270.624027646,3115580.928727345,8374263.209897937,5856435.498325428,6798330.331534646,2601307.250433722,14810703.0116984,19767958.57941536,18077130.09533432,16428114.67408897,14626576.54958732,22509789.34476953,13101292.28437543,14652794.04053633,15625195.9738155,16486185.9978887,11530889.9051473,23185693.45379574,16223785.85121518]
["Com_262_neg","5-Hydroxyindole-3-acetic acid","--","C10 H9 N O3",191.05779,5.537,190.05058,"--","--","HMDB0000763","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indole-3-acetic acid derivatives",102575.3458952011,66648.83168346272,90057.8819687924,87356.79376710595,44376.86778455138,200376.3587963085,61668.38486070483,319862.2463352355,203374.0578547781,979648.5538151276,88967.05650897579,74459.01499572251,106139.1097917972,100475.2072772069,107667.5403075322,72657.0197956868,193481.2730156834,76204.10841021842,271550.5540325022,1598363.237105678,723871.5317947409,1117897.580689393,3153793.144656719,2920807.86476812,1269188.380234711,91185.38019001504,447152.1475379426,9081634.469635189,719891.8604331713,643673.2177217158,6561528.720513477,3321212.569780268,4191340.381358556,6216423.635532054,938690.5701884791,13000862.6214099,367878.1516962364,2320149.972944746,4787463.32571896,1263316.88170695,80618.26571671404,474195.4024577968,100881.16848495,54884.46050808814,141928.1880570544,120758.2853939299,102301.354964769,1374640.830608967,242805.6143813123,126739.8589403756,787723.9479292003,94010.73815800698,217272.0314129676,203249.0618922989,252049.3008817516,513046.0269317944,155048.6612557201,65777.66256360892,66958574.4895667,74693988.70208265,113003046.9953233,122973030.2496196,115044848.9675163,99227892.66957986,112287857.0648646,118404621.5759156,108888302.9605068,116081386.6845975,123301443.6164446,121931274.8044907,105908503.4556572]
["Com_6_neg","N-(4-chlorophenyl)-N'-cyclohexylthiourea","--","C13 H17 Cl N2 S",268.0801,3.378,267.07285,"--","--","--","--","--","--","--","--","--","--","Full match","No match","No match",{"$nulls":4},4412957654.861445,5727573160.90464,6648036879.884069,3957622667.239223,4558703729.433115,4265839525.42308,4755508792.997204,3244432048.456069,2755576944.781738,2672281542.075754,4528046912.846345,2575711324.112312,2509277782.415322,1169206125.742884,2282628986.951935,2940652148.873672,4591575955.142461,2861789769.587343,2610250460.231194,3344508710.602006,2308453158.968172,3762564881.335256,6253159438.157594,1668531834.272844,4424362141.488278,3855028334.89303,5389029823.862079,2503529897.783588,3307521692.07032,3799717571.181293,2592992643.479577,2818202211.73708,1909162847.117089,3281264357.48844,1392130238.942198,1251016666.098257,1252134932.213198,3504510122.545312,3755760746.008785,1962069492.73204,4830666505.222686,2956271288.254114,3781316486.513603,3757108469.930419,6066258537.032269,4659614699.064049,3683641576.191143,2151301878.063704,3218719219.218724,2359333127.311209,2255770079.022261,3264788285.619229,2759778621.759842,4833341428.49849,3264657791.921044,5820015093.336646,2795958314.431735,7249482657.990717,3629732760.05204,3094578308.435874,2214793131.505194,3151569666.275374,3006891147.600859,2746772237.45397,2999541082.460683,2804033438.035078,2745737437.210707,2827863410.090296,3211488252.350588,2729491127.646621,2644185087.905196]
["Com_28_neg","Succinic acid","Succinate; Succinic acid; Butanedionic acid; Ethylenesuccinic acid","C4 H6 O4",118.0261,2.636,117.01884,"cpd:C00042","map00020  Citrate cycle (TCA cycle);map00190  Oxidative phosphorylation;map00250  Alanine, aspartate and glutamate metabolism;map00350  Tyrosine metabolism;map00360  Phenylalanine metabolism;map00620  Pyruvate metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map00640  Propanoate metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism;map00920  Sulfur metabolism","HMDB0000254","LMFA01170043","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",1115966581.41931,1101687559.059926,1290694037.395485,1271193250.203286,1904567613.806113,1411267843.059386,1536894622.968401,2224745819.902105,753554549.5312493,1479247302.128594,1575965367.248008,1833968278.175949,1204931738.76119,1438684688.40709,742829495.9939696,2347158973.551151,1633235352.119608,1614827492.826047,1727391851.482839,2019698252.272383,1432430499.253744,679122084.3481911,459365866.2665091,845188819.339104,911740415.6801533,1091965134.619677,1435376568.330547,2748167437.355369,1164067214.131476,1649175973.848559,639631080.865343,955171973.8587568,1097847278.341023,1403269655.172073,653155311.8821963,236184936.6170382,1911625710.81451,914833742.5863196,1947185356.690775,852685911.4512072,912501139.1319076,1151199932.141223,1042743445.262197,1866560973.828768,2143537651.907328,1082851531.254242,2085264888.508582,400977366.6499936,2083961560.947226,1731566408.745222,543748771.2401342,1492793244.787224,612356474.2885945,657825354.2607778,193059374.983401,697160551.9981732,1825957783.746486,52891619.94036231,860981031.464699,791024977.1957848,1060734584.217085,881469361.9193047,1017175061.703409,1031188648.25864,786313831.7734625,1102733551.615717,1043516484.121868,935591244.5198612,1040721005.662564,837334292.852015,1343378596.406439]
["Com_32_neg","Oxidized glutathione","Glutathione disulfide; GSSG; Oxiglutatione; Oxidized glutathione","C20 H32 N6 O12 S2",612.15083,2.111,611.14362,"cpd:C00127","map00480  Glutathione metabolism;map04216  Ferroptosis;map04918  Thyroid hormone synthesis","HMDB0003337","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",337091891.6992608,278393026.5829864,190351608.996768,212668801.2328719,2194508030.093863,316677337.2804219,203019774.1892069,264330007.9815493,412937958.7720871,160272723.8885338,145586412.236584,222046367.8300753,127316725.2557524,357195515.4574316,329208677.8399657,364495140.8573926,277860310.5390016,253609683.2543132,510068888.2494838,271478892.0199304,207624495.8045109,284691154.5810931,267230305.5420233,311577710.4185209,345120948.414741,257567688.4412641,427240160.4168496,432649255.3144354,330785956.2632139,476987743.7457126,266285745.5274557,314831923.7690834,247849469.5562822,265165836.9948042,282715058.4471436,810924703.5252396,405615361.2140312,358211261.5897889,3520819260.191629,1079987517.246205,145287273.4707775,305839191.9636745,451830448.9348193,291920176.815023,375479860.0963709,402040472.2685115,861418859.6735283,222562529.8118206,278150459.0610736,327564317.9030674,321539407.8886815,278127898.2430803,364343620.3897597,304969197.6639292,512577254.1896294,995170652.1328348,390643060.7638427,349986868.3364499,287435003.650936,237588359.5954327,319427697.2888296,335684485.7717603,410031155.6039938,388552727.3375562,399281247.5652714,367777422.9815847,340203106.3174964,302814770.0470119,252922585.8482898,224493980.9618646,258102134.6933229]
["Com_49_neg","Suberic acid","Suberic acid; Cork acid; 1,8-Octanedioic acid; Octanedioic acid; 1,6-Hexanedicarboxylic acid","C8 H14 O4",174.08859,5.71,173.08133,"cpd:C08278","--","HMDB0000893","LMFA01170001","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",45024819.49952214,44171316.50027318,9009470.601300608,12897849.28975246,2432204.635886109,37261444.28275867,27823512.72638218,8102261.775740266,41366612.15583803,10129866.9231922,6292507.81529107,2290701.569391155,12156139.2190275,27177445.27150002,14793157.34451948,10885547.40419802,9040059.870222984,28198156.60628867,14399728.22969369,3574778.145710954,12013437.93940168,12651514.08388522,5501186.244259463,2305519.018217322,8897815.195148965,38910183.08846761,9084593.7399286,11416056.73561452,30673114.85102491,4368649.237490962,30278297.68703985,33833953.31283017,25023994.41738105,8753535.340408767,28541305.10712425,21816602.72615425,23469645.83639039,2416576.667153242,73320378.61229815,11670008.6614308,6399337.481152112,18950799.21863537,31689755.83553431,3124863.0239739,59437263.69986743,28092469.89979602,26549823.11890094,5206261.377009276,33253947.85253432,24798005.81463049,10527996.9432468,8532405.094953971,31051519.8662166,18871974.40610506,9911757.852377918,28358596.14618537,39522929.45592654,23648640.42385316,132101355.560136,132882486.6830611,135696880.6753324,140935437.0187667,119312942.9003584,119446220.5252416,118365778.8417838,120128037.644644,135112863.0529022,136115131.0899841,116683550.9520494,147513615.6011555,122275307.0903986]
["Com_56_neg","1-(4-methylphenyl)-3-(2-pyridylthio)pyrrolidine-2,5-dione","--","C16 H14 N2 O2 S",299.0762,4.793,298.06897,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},326332946.2446956,372736614.9355861,376848498.1585994,288188935.841835,553334403.9677315,777177117.2905786,743825400.7146976,715272197.470037,991207210.2068236,160949677.5382158,205708729.5349675,390320304.2576076,397249036.0248229,1602515860.282175,775087405.7713469,692901363.9715035,670752104.1168799,1299985092.732768,794992197.9640616,403573412.8704436,420396023.478389,356250520.0152035,404085601.3035491,1049884182.917838,427615068.3121905,770887063.1239882,555279571.5822182,717755747.2767618,963911025.2845432,895737646.4842453,725886465.2105927,813127425.0066161,1086097406.277436,1555430093.596424,1023369619.142844,1466145202.691043,1484300242.750393,1426464457.006236,1658544470.477782,2462216422.919172,285840531.834398,573581198.628633,783870461.1889471,606589983.5918837,418695747.4385084,1492377915.832194,1186432087.550459,931795115.6310904,522532748.1497588,975394619.183002,816828594.5971514,697614815.9679936,508781403.2133805,495283867.3874778,911241663.1448108,994763233.5263212,1090119965.891742,539772258.1295279,30928190.8725787,47459351.12971371,53755541.41746507,66515765.28124648,66440623.5491083,57813035.63778345,59771608.72595514,44089156.7544132,43969760.43803192,41039373.31859393,35224584.34249606,29515340.50523273,26188394.97023254]
["Com_59_neg","2-C-methyl D-erythritol 4-phosphate","--","C5 H13 O7 P",216.03931,1.596,215.03203,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results",{"$nulls":4},1107898805.931695,437134761.1865709,667903449.1206106,669112501.6600357,949626906.0466676,769670152.7198312,967493136.9588972,804473366.4012218,722435992.8807842,1358325749.101466,962305322.0437028,765055618.731743,1734877024.60724,392710978.2865113,939898161.4902556,375202420.0274589,261940903.3736234,904411689.2897496,499948655.5084006,272956954.2000045,1263707186.10451,261908913.759689,459703016.2174574,262119987.9864381,562066219.3242252,875097263.4454272,828080457.9301498,122802072.699061,775165772.8107488,427249004.7890378,332775288.6015863,276261261.4259706,345528348.7439212,238393401.1040854,429285554.5241965,383173104.9496984,337610190.940007,228199166.3049484,573357428.949818,497058269.8527669,914017770.032282,264260029.9629814,500145610.4156887,566217382.8380015,519200055.7411764,352015270.7748221,342563925.6894414,385360567.8781472,444855722.5272138,284366888.592989,527655729.007799,343059477.5873982,354407519.2579505,653954493.6288999,349486847.4630687,309317981.0894447,1074745056.242378,334565428.7381851,745860656.886536,556202889.4404161,724708803.2488943,663391627.9867694,511373612.9287665,505227447.9505761,487677812.1307128,579872327.4013761,623266432.4611889,776031471.2434351,559569356.2835363,598742392.145257,611149515.2635779]
["Com_75_neg","D-(+)-Mannose","--","C6 H12 O6",180.06264,1.467,179.05542,"--","--","--","--","--","--","--","--","--","--","Full match","Not the top hit","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",166253076.1672526,108499677.6276952,137007778.5399508,143632351.5207142,216444098.7160169,163670197.6518579,236598681.724282,305608580.6047409,198440595.3969009,591324056.3602954,377681095.3964669,176838249.8886346,622651305.8950182,128791452.1475673,192258083.9653609,94479103.51200785,120897123.4762449,426845467.5679287,231762213.1012577,70578894.77489343,308384402.7960135,63218126.31648284,110301981.0803925,86201709.3077979,133357524.0007966,187314864.038566,241970865.43349,75747132.63466607,321908020.3032995,261316166.2886914,66643670.80815449,72967312.9197781,69100584.88548784,77782594.55471566,87959148.35841547,89551135.89018922,103660949.6929344,101044517.6575753,160455477.0468325,153318523.3126754,194443597.7125802,80161238.22286385,77531804.79481101,122960327.8856393,132289744.6004383,69930453.52380699,128274055.9471403,97318612.91256088,77151012.48859496,59790710.04767269,94896366.05308756,58342514.50659648,77292719.00824809,139969761.7409323,85364931.27181059,101279201.4495341,256198129.4059497,125476003.5824933,259308533.505818,238682641.8727488,240444278.1487918,236832838.4184717,232632254.8607793,299147391.314382,115192642.3072482,233600100.1981255,247219421.4083112,354723624.8294199,215493067.2207857,210767702.2718106,227750838.4496574]
["Com_85_neg","N-acetyl-D-glucosamine","--","C8 H15 N O6",221.08936,1.431,220.08209,"--","--","HMDB0000215","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Acylaminosugars",335209576.9235466,204214843.6751259,210537302.7055457,204069509.1841209,200452813.0404487,247978654.6640579,197549506.9053061,171738263.9709179,203108717.2141508,158518582.3237146,168764607.8636079,214571628.509771,158391199.4533989,333892257.4784613,246794080.642774,241729953.1809979,150344806.695866,157339240.9504002,213731624.7662442,330398832.8223048,213380694.8271903,236009542.159488,220181237.087074,283125484.3243002,207228156.9053989,226989152.6550166,191406014.3812506,163374523.8989077,129449185.6937381,115821476.5581138,263309932.9007847,310972496.8028728,265929536.4109665,336491276.52143,322551479.2889381,447807314.4276727,306534049.4721561,216125650.0563378,300846793.4337091,292403447.9952719,190625757.0019342,294200961.7851783,311512409.9321344,235551893.9865871,192170237.214357,339353639.143526,234218037.1033372,257802633.1752672,351575418.1757295,368814351.8670607,275818123.8392681,342495051.1926858,346492578.6433274,215114687.4956901,465680757.2396488,280471882.0053857,196311847.0349904,178233863.0843558,382723025.955747,365282562.3517745,365962997.1542858,375474501.7762469,341453331.2903787,328279725.5662082,296961924.3960904,341255948.5951031,336338005.7793357,373662790.5394419,333786383.1459902,364511989.6145057,360611073.2634543]
["Com_94_neg","N,N-dimethyl-N'-(2-thienylmethyl)thiourea","--","C8 H12 N2 S2",200.04443,2.129,199.03725,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},56417383.68615307,113068150.8303667,15052651.49713666,16073767.33178086,57271074.98588795,99648142.24650615,56176221.37735116,227534141.7179388,15798765.76611376,42079102.07107393,33952630.46961868,101333135.1404533,14856344.78742069,15562846.33799775,60243619.66622499,18746947.43310864,8378283.73027891,82203342.90363312,29739994.52325181,41225852.96619199,31720366.29255768,10543290.00222882,67900587.1444234,37820500.77353399,18271783.53178204,32280506.54043707,166781169.3010388,8165889.063411328,68895811.28217089,13842280.20493844,163082146.044556,336263421.18582,63951664.76006497,73246692.80431844,13633737.61145185,81338385.71937084,17188876.67870951,134664487.9095659,38040061.53709453,309462499.7603006,46228271.35080647,20182321.12378268,35120414.22422232,58869979.5049296,19241405.98298343,29654097.36709279,8675577.601780312,8533389.452627659,127785160.4379256,34105083.76705896,35554801.70923215,53434755.40748601,66162104.87844852,95602070.2774656,50635032.26473895,411667283.9014733,18837918.4938012,19609841.23427998,147960926.594159,135784672.1779228,222805251.0152952,208834383.4891939,253452148.5101781,218346182.861371,172019775.6192594,268981938.4335904,254179438.407369,202141390.3505689,219449476.3482267,231337054.0266861,122248414.8701716]
["Com_97_neg","Chenodeoxycholic Acid","Chenodeoxycholate; Chenodeoxycholic acid; 3alpha,7alpha-Dihydroxy-5beta-cholanic acid; Chenodiol","C24 H40 O4",438.29715,7.287,437.29013,"cpd:C02528","map00120  Primary bile acid biosynthesis;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000518","LMST04010032","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Bile acids and derivatives [ST04]","C24 bile acids, alcohols, and derivatives [ST0401]","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Dihydroxy bile acids, alcohols and derivatives",31917663.91041741,1860347.609597565,24526204.11184373,2457624.018794352,1862658.549107424,38628993.27482491,8559897.47516203,9506566.91050386,117823148.1733869,5690313.440377522,18698076.86170509,9748068.23159831,8525469.592559291,36743118.13365568,136762191.9710816,32895671.43821758,2562213.760459922,6573700.878461172,76637579.53516977,812377.9702316419,1314269.881209622,1033741.441655508,6341491.714426522,1857458.204194813,1038219.285945747,17501477.79791269,311350.6075761943,119992.987294685,635160.3418878932,1034394.710990884,589504.650447989,1766601.837299658,685296.0517962582,297541.9434824529,554464.2808676512,800452.8325978791,1812832.961041437,993028.2160220006,32248536.82550693,959937.7758404986,15256101.08324931,33795326.38707195,15864796.64676689,4050586.342334324,8866169.147786854,12352204.96514046,29242681.41117185,254603.7670864782,3235961.853492344,7714943.000247113,26415645.10233337,35959907.53090034,27185941.06723951,3844908.687652206,17255916.14300263,37856054.69443717,12384750.90478962,23429793.90378247,611063011.422223,658620775.8032333,181870646.8375852,588204886.5720849,553399398.6486275,562136992.5302588,535577065.0750349,638168695.1405337,480478518.651503,497769009.2226155,550047481.9712383,252064781.7244367,691769500.8702222]
["Com_100_neg","β-Muricholic acid","beta-Muricholate; beta-Muricholic acid; 3alpha,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid; 5beta-Cholanic acid-3alpha,6beta,7beta-triol","C24 H40 O5",454.29206,6.835,453.28452,"cpd:C17726","--","HMDB0000415","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Trihydroxy bile acids, alcohols and derivatives",18253840.98191134,1686503.212664933,27514003.72148703,2164723.66319247,5092381.943475316,49722521.02421247,17192373.834957,8753879.250375258,60030627.86290232,28397778.173533,24786134.31015247,11183903.98088545,17556153.96299906,68576617.75444499,111158729.6928935,14951373.7066904,3071832.719182487,26113414.6526646,89048852.01203929,155785398.9721838,112433246.826776,92279487.4027703,93987597.64989014,168783984.6699339,217140408.338217,47860584.47889105,13527966.31675816,39973710.7718494,31742657.84760989,44723115.31172157,171428860.6974899,39258793.29363739,146933283.1607956,95384462.52589811,47149029.54487741,223856333.2639662,73175783.11168349,17152669.16110811,81514756.36641383,26323290.79588208,28318124.56028087,23843323.36520584,14182249.26859699,2793608.63587612,16676685.68846501,13015000.94999248,21120336.31701593,44837422.04726955,19036959.44048703,18984936.958838,40283242.71017491,92094293.43278845,16045355.19049995,9722729.149573738,30233883.75041924,121207958.7710403,18345318.74339181,21365116.46190218,829078180.78482,942279921.4810032,1116830947.878936,809828591.8802997,1058098282.036712,713727410.8104666,597208165.3459839,711239756.1199682,576244418.3015147,795944450.0306655,654406150.5997231,784617002.11773,695067988.7178705]
["Com_104_neg","(+/-)9-HpODE","--","C18 H32 O4",312.22944,7.348,311.22214,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",15805327.967364,16433155.47815174,17302633.88308572,10229164.63092226,10164986.22591217,14778021.39984994,9064214.53276448,8536028.222859107,6091385.60904599,6318427.097309525,5787949.127703406,10600851.7060874,3619653.273183499,16516793.04202238,10278807.30445251,9780293.571517674,9321160.95796673,4924914.384452892,7584658.564059493,4918863.283371804,12966132.43406247,10480698.97449921,14407246.82802039,8445099.192998178,5935826.074077355,7527356.275959968,4237415.837151718,4820611.839792849,7373736.857175953,6116909.126052521,19676910.63172819,29358788.39942158,22857293.96598656,23566645.36718767,16467249.41957863,27559228.36114256,14485834.8537912,9011599.061933022,7575008.750594089,10975878.93652624,7045608.679183351,13256142.49097411,9695282.754980383,19801557.59915215,11902942.86011671,16409180.91311948,8878582.308403984,4565352.92624758,14791301.56193499,20204972.48546444,14360409.85748541,11136858.97623097,10847229.00300218,19303843.68495046,25337666.09900417,23968481.11544877,7763105.971086844,8288193.852041215,90040473.4137674,43550051.48664273,95571757.3211149,95199085.08142078,97621142.17396425,90409562.5307288,25202257.48005658,106963539.2301659,109865385.8465295,98452802.06521252,89127084.68984821,131677766.0435538,106030962.1879853]
["Com_108_neg","Elaidic acid","(9E)-Octadecenoic acid; 9-Octadecenoic acid, (E)-; (E)-Oleic acid; D9-trans-Octadecenoic acid; 9-trans-Octadecenoic acid; trans-D9-Octadecenoic acid; trans-9-Octadecenoic acid; trans-Elaidic acid; trans-Oleic acid; Elaidic acid; Acide elaidique; Elaidinsaure","C18 H34 O2",282.25513,10.801,281.24783,"cpd:C01712","--","HMDB0000573","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",171211679.9758619,211525121.1502561,222190310.2474689,200410723.886511,204924314.736671,198655102.1366028,70843081.25433005,223933867.4573131,170854165.0761478,74563899.95632109,203396243.606776,252314783.0459002,72194831.25256988,213700101.4789999,182676755.0857062,245006214.8189859,140596068.5977523,92878516.48344932,238344158.8923769,212146978.010945,159303942.8309284,210714225.9827426,150447341.6999809,135158083.9309801,218050278.4754564,208486628.4576155,149250511.1118139,138603679.5375799,132354913.1760279,123554569.8490375,168325551.6045102,164346777.7119634,153107155.2568363,206712595.9485858,225678771.6774116,122173114.8589178,189561313.3901527,243590187.7304354,128359626.1339725,259112958.4772333,131082749.0445123,165398971.4129587,169015286.5527922,228857693.1058001,234780419.1803209,131261099.6959028,175833278.5177127,139013137.4428052,127960687.3998174,162620626.0611659,147171133.2053084,147193297.7507394,98201056.77348755,100215411.3998752,91111922.23913077,302983987.1517991,95368232.03216878,124331388.0506803,597343660.66425,602820337.5218451,649857092.4099401,661587969.380006,623194195.2231494,514598707.8800701,488769085.1670308,519298368.3536547,533255762.1342459,466586143.7664293,416524963.5188515,541082235.7083148,504569721.1929343]
["Com_114_neg","Ascorbic acid","Ascorbate; Ascorbic acid; L-Ascorbate; L-Ascorbic acid; Vitamin C","C6 H8 O6",130.02594,1.816,175.02414,"cpd:C00072","map00053  Ascorbate and aldarate metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map04066  HIF-1 signaling pathway;map04977  Vitamin digestion and absorption","HMDB0000044","--","Organoheterocyclic compounds","Dihydrofurans","Furanones","--","--","--","Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Dihydrofurans","Furanones","Butenolides",482576781.0593239,999819877.983537,704500989.413564,512223884.7311837,819792321.3081688,615978395.8049612,1021781639.159932,755649423.560081,541012260.196024,702522394.9631166,693727856.9833806,685388668.3178331,616218912.0392736,629255279.888475,562551859.8604728,586438853.8096417,510452703.8517144,627737019.6633636,646733810.6070584,840127660.388979,558829846.3046443,652141607.615207,752460435.1974566,790870322.2999692,1163175237.606483,644865295.0028261,486182833.5620288,381005919.5411272,390463244.9593052,455585052.4634181,773874226.0447236,770948569.7465442,686254782.4838636,533858618.5505027,343253146.5020996,206438807.6959686,318595682.6441895,335618943.4190335,443435895.7985423,456000723.6968978,645038189.0745435,667229924.7751458,823522113.8874755,1206249030.836228,627462886.9066665,621926268.4694855,726754915.1251472,433714392.4700485,822238275.3322198,659366647.7877082,526040516.0173447,746215617.7485439,477945780.2308846,403235002.4033118,141949368.6430185,780099556.4432422,463427205.3185541,700695801.7760863,12285088.0422329,13430757.7102065,14907199.07261972,15909168.25981006,17163674.73953448,16969482.506564,15930409.10221386,17275625.03433031,19671153.39466628,17870968.08738733,16739553.67744201,19264542.04177487,18790204.84892127]
["Com_123_neg","2,2-Bis(hydroxymethyl)propionic acid","--","C5 H10 O4",134.05738,1.516,133.05019,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",225388853.9660775,156334071.71861,197987239.773242,136401207.7977346,346423915.2932137,201021958.8762545,299571101.209641,455838847.2916759,289178625.1994053,536024631.8894694,404787223.2514994,231639900.0142657,686691736.6546472,190176330.061898,300413755.0856348,161359981.7568394,167638940.1833791,531806537.6003076,283899521.8793052,89871870.66598487,405526194.5629966,69494010.83191136,173237641.3203009,67913772.42725448,224166670.2398158,270190269.2279041,331732505.560936,79711230.765878,431677514.6691782,320622039.3900796,103659703.9226724,71405111.26608403,112818058.2817236,129374197.8888287,150399318.4623919,95348597.62893984,117259598.6136683,152317699.5285697,291255204.1861216,213222583.0081606,252324449.3563469,120421207.3717636,122437909.6974102,208468430.6487696,221031660.2158284,142049425.1141536,205997212.0373829,150399677.2907477,112220550.676213,81081745.45938018,114407786.3258376,90410641.6182536,116070401.8474373,264294893.8072404,155101849.4373054,175095936.2973913,439437245.6904218,198432948.000633,210111682.39136,291991497.609004,290906439.5364469,330535334.7191362,378710534.1346587,434581151.2522234,489399850.7811676,390093374.1101749,357087663.0794478,353827672.7048001,321899190.3311163,170397461.1916218,323186913.6526395]
["Com_126_neg","2-Oxoglutaric acid","--","C5 H6 O5",146.02103,2.323,145.01381,"--","--","HMDB0000208","--","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",18083631.42126796,14104510.97007256,12022470.3378508,13709899.59989204,16217951.35348968,8837425.40858442,20071760.33308505,14206581.66514405,9393770.164056383,9550467.839942906,13157584.41453352,8218697.430772922,41524252.99300892,13953923.13943212,10105270.95726591,15729283.40348045,18825467.12092456,22512184.67497739,17114966.20435673,7486985.683782167,12175373.93839886,25874306.13691939,25259386.73811755,19973545.68998924,12738393.0097149,11146781.32823431,8549704.342672955,19838295.56583314,21217756.36937641,28175453.20608156,21731061.02083413,9425591.131232703,18625063.44851512,38893236.2339747,17015208.94249361,25905085.90820261,10949742.9284945,22379091.57276801,30150681.10316576,49302444.30684652,7044755.869983016,32668811.75490044,24872259.75114248,54089073.42072642,56223972.85352836,40768765.32036887,92254841.2044046,41965889.68003138,18992635.68342762,31663619.38684871,24526375.21583917,11056146.32185082,96290551.9194943,32998550.95285468,40168345.22170538,36311657.93786658,53610160.83175693,47678670.63018017,84148282.0214923,95144717.06487532,107389857.0126931,134598552.9990234,146656834.7306215,137774763.1449985,131085006.9476456,147937226.7086726,132521623.7697679,120173822.3221428,136402308.2547437,136422012.7597322,139132046.0859035]
["Com_131_neg","Inositol","myo-Inositol; D-myo-Inositol; 1D-myo-Inositol; L-myo-Inositol; 1L-myo-Inositol; meso-Inositol; Inositol; Dambose; Cyclohexitol; Meat sugar; Bios I","C6 H12 O6",180.06304,1.306,179.05569,"cpd:C00137","map00052  Galactose metabolism;map00053  Ascorbate and aldarate metabolism;map00562  Inositol phosphate metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04070  Phosphatidylinositol signaling system","HMDB0000211","--","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Cyclohexanols",368097009.9345945,308568006.8695121,474585211.0827773,439558440.0734028,770254355.3206093,88865657.99196152,285674609.6541368,670750198.1159487,700054702.4289182,409446212.0244355,561999725.3057841,377516601.8700913,551110452.8173815,450280433.0785682,378321489.0940642,282503931.3387933,441277301.3677871,145589248.1198221,98250986.86843964,119140910.2894864,500984792.0952684,183954974.3381689,244358242.7343936,198626970.6898644,326248215.7791469,328636735.396654,793662720.2382983,144314501.3160592,1001646379.554511,435440308.614876,95895722.52750029,203517385.135442,177322546.5349007,280731448.3469485,391262265.2870476,255709837.6482161,224812309.0617776,339227992.3885132,754927869.8530706,99426278.74102806,393968338.0332401,256927096.4685265,289637622.2751619,185574702.5631057,273550331.8260328,410045115.4181103,135129239.7045044,354459983.7377263,110423133.9374183,186900376.0276691,368387364.4447265,256326826.6324052,276616539.7915243,677478712.3060648,361049602.008746,398143921.239024,1065088288.356425,517618701.7790092,197977242.240135,357136659.8416232,384197402.540942,479847856.1241083,545082824.8340632,459771648.1934372,829392395.456418,444303675.9619271,531181831.7621304,424487144.7532967,495742564.6148009,511765920.578956,475496088.1696004]
["Com_145_neg","3-Methylglutaric acid","--","C6 H10 O4",146.05749,3.19,145.05026,"--","--","HMDB0000752","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",11352314.26736446,8712946.09041709,5243517.655142035,5495157.392486117,5114716.194358936,5992154.305797695,4085967.759213131,4205901.315330703,4627648.881656033,6560436.061661604,4419105.001071393,7809509.600393056,4720750.918515416,11429902.04195677,8143390.986529984,6208209.700773963,3851093.574383345,48559262.19340243,4087721.410115591,7227835.771212345,17698464.40768761,4438322.355056975,9420998.465052178,4515542.689467066,3559495.790624125,4215976.168583899,6175261.4786757,3470630.453053677,4121604.386575733,5679336.452143978,78059397.5897915,43293062.99568243,80159982.66544408,31226343.75766283,7149217.596228428,48538627.53403164,7833283.816930362,22911580.34637205,13701843.96587323,56453006.41817412,4883091.726408935,6789682.544104526,5784912.194915789,6520362.54440774,5048696.661540492,5973385.887946652,5006580.500582926,7534013.216474996,9406664.173183268,10365670.09090091,19307839.77331565,5663169.784910103,6132978.158890227,6835300.057733945,16728666.6479297,9765753.428852882,37754966.63254069,4921225.321555333,124284067.87004,117002714.7197984,120000597.3439598,112413375.5846759,94461531.92680638,94627919.9668692,107138251.7668349,110823506.6779673,114478155.091907,112450690.5592791,125184817.558747,124583560.1030249,137748458.8810542]
["Com_146_neg","Orotidine","--","C10 H12 N2 O8",288.05935,1.617,287.05182,"--","--","HMDB0000788","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",259651095.2041977,271444411.3214918,256564390.6159566,234658208.7427512,344636946.828617,349890475.4458603,444397015.4518802,315777163.2885219,201042935.8444716,502953582.5050228,334901056.8260227,263732293.5721833,815813296.7568351,426499310.9373137,353428112.8376267,187466321.2336726,236817452.6919233,701774947.815152,417317942.1724986,228761794.607885,523625583.5530694,93831347.15870374,289172953.7085888,413696469.3130381,270236070.5056571,289358508.9566177,312902602.6512651,167821069.9415552,422825038.3656044,310567806.8918374,264505913.577775,358096653.4013894,363753836.9405059,507047504.5813577,240278515.7665259,435723743.0720009,408624726.0166451,485740691.5176096,552029064.502282,525358802.4820365,381022285.3617947,254893351.8191164,306090202.0162406,425003572.1981363,365016808.9949017,357932661.2616875,343514347.4377412,179196222.4165814,305874799.0214063,398035764.2014105,290191888.6133918,242931378.0779105,240500734.2450357,165580260.4452687,262043667.8817866,209047509.0833074,613382661.6648818,158268999.8591357,439751449.399375,500600193.3519349,510577265.7821915,524033172.6957824,547562713.3511348,575988828.9656938,941281235.614466,506043302.0982036,530364042.5926818,543854621.0000719,748692283.4520973,528705984.14106,457069704.1813507]
["Com_147_neg","Galactinol","alpha-D-Galactosyl-(1->3)-1D-myo-inositol; O-alpha-D-Galactosyl-(1->3)-1D-myo-inositol; 3-O-alpha-D-Galactosyl-1D-myo-inositol; 1-alpha-D-Galactosyl-myo-inositol; Galactinol","C12 H22 O11",342.11526,1.433,377.08435,"cpd:C01235","map00052  Galactose metabolism","HMDB0005826","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",64943526.40907709,30569147.65652081,64878842.40634262,49134313.94382888,76771721.11859912,44936622.31195362,39717847.39129373,75692307.47355309,49559916.03357708,787346947.9534717,283420511.3729349,93887842.61722532,473602920.2172652,50917479.0725789,66693453.87394822,32603910.57964816,23486275.86315414,88664602.3496706,55857122.85821029,33724501.17775069,396877301.6216264,46338240.9572584,66750031.6309194,73922638.2228008,64056612.01437537,59124992.64066988,134478775.8518272,85321382.63012901,43222220.62543168,27606686.33204708,24645370.37227177,32446990.60307784,32268826.36001401,19304736.50544301,18311215.17507363,15775771.04159902,55793093.54544891,39809515.96777065,32710028.5183519,62786218.44382603,269671595.5753422,44542558.36352382,37807328.30636553,42563553.34240651,41389020.52415356,28150039.56942927,25174797.25902662,22273544.01503273,15417262.87421,18997102.00827607,40738187.90648323,25736658.71759324,16099156.24087135,38096575.30666976,17320653.14338478,17830511.70710846,56220380.33977064,15163484.21731596,72961374.5306769,65513847.38262216,61579037.87437621,64265612.41833187,58737428.16401968,50785550.54175037,45105644.3752005,49568944.00089266,43501969.73633808,50980187.69023518,49504877.08180334,52620701.97769351,51868367.48935207]
["Com_179_neg","D-Threose","D-Threose; D-threo-Tetrose","C4 H8 O4",120.04174,1.456,119.03469,"cpd:C06463","--","HMDB0250746","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Monosaccharides",190291847.7448884,105615107.8187682,137078217.4131858,152132673.8461915,182405946.9240205,192789180.7465928,181657436.3100341,169477312.598332,249466704.6190795,106293327.8084712,132509141.3716931,188040450.8833244,154726158.3938798,637575031.1517847,262129263.5132052,150966184.0436702,159089928.4751098,581162818.5959015,283448278.2352539,196258726.7059561,454719814.4429408,185251847.7100748,330648917.72971,192723284.0841426,157188799.2770447,166376484.8592479,182121722.4727173,138816525.1158281,212459877.3375301,214806866.1739711,300113301.7675185,484658890.8275136,653986507.4698058,685857633.4628373,286700140.3487173,1270674110.114597,214373293.5454115,278231107.8135037,418551768.4997177,398215516.1444582,129434471.7132808,212167401.7986709,117190165.9075833,216491521.4787238,113263566.553922,211980904.272234,173363922.7271232,463207853.1655586,308774995.8690819,379173375.7657514,598888058.4291378,234905211.3717588,281587254.3453777,155235007.9254047,485891803.1177898,218914874.6349801,608107791.1683906,210944783.812406,298198627.436451,350261472.3675867,374896610.5264953,389122508.6339523,398440876.1297594,419817019.2049087,374255219.8983635,386357331.4300492,324724396.4905168,433569511.4534358,349877879.428206,472072527.5354711,335051176.2031651]
["Com_180_neg","5-Hydroxyindole-2-carboxylic acid","--","C9 H7 N O3",177.04226,4.756,176.03482,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",566450.7197204105,391672.4398964566,295100.1647333927,423181.3981906991,313709.1427676214,368127.9558881968,320781.5407103053,280514.8031300228,271405.0605801675,1196476.517647429,268712.1839327611,277773.4415957678,366629.4917532674,346403.8912419546,372442.4424413655,295575.0609527479,209768.5245660522,339328.104212076,511886.9208286353,2204805.348762178,836637.1489463001,1049340.740113905,808874.5897111385,3441724.515911173,468410.6190650994,276019.1175801911,481712.5164505001,11735433.87969417,464143.9814394866,357392.0404148112,2048498.680436557,919608.9229196628,1682866.325246821,1448601.531005459,571041.2950554641,1914988.655173787,364475.1073881491,655022.0325466009,3549201.525365054,586228.7867629194,431702.1927788362,557717.835653614,300544.6947821559,387626.6324298031,366734.2114756453,358187.8718637864,340186.4103107862,945835.8871355732,412435.6447799951,436089.1074595657,455591.9855129336,329482.5939220975,378635.7281022139,283671.5960223203,416359.2153619942,488758.955706631,432923.9376959325,275453.6494689874,112454699.050495,140069055.4913136,142488229.6195462,144657507.9625131,148436448.8707935,139355806.7824488,140876972.4053822,140413831.1235733,136361831.4450853,135422126.6280769,137649913.9289998,138166944.7386073,146809863.1990076]
["Com_181_neg","D-(+)-Fucose","--","C6 H12 O5",164.06796,1.445,163.06068,"--","--","--","--","--","--","--","--","--","--","Full match","Not the top hit","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",32032130.44220145,24675587.00215526,23343948.07182624,14483473.82192712,28284450.22532553,23869797.58934935,13181494.42280139,15367262.11663076,21626721.0147415,15113628.44466178,13944549.31696379,24903955.92432138,11910356.74297836,18405566.77974191,19620808.20980269,22590046.05279778,12677665.63714172,18869321.1987169,21540146.99345343,36322240.45154112,13702293.38619752,12460123.61294066,25914965.82370478,23260122.42389217,16152442.64011003,18442470.64009372,21077741.58362079,16552506.62834549,13925037.7756323,14423995.22333684,53480198.38922181,64038506.43678986,37817668.1489796,37815916.67437036,18162789.84018605,54142229.93562718,28786505.66117456,28487750.75213953,35693509.84986801,31937689.00694569,12718745.32521387,16102855.04614756,15944293.92749345,23853615.60168371,18117848.46968886,30540636.86421445,22600065.81046903,20441432.75523607,40746061.17598514,20365836.19077307,27846600.82315697,20734756.95778336,23638782.12899084,27563477.72942482,36591787.93776419,24358194.78764424,9472444.975277595,13760221.63620188,123934509.825724,107710390.1027091,110395300.412248,108403962.9684374,99883927.1508408,99938217.0707877,91798125.64321151,97339860.03175642,89897063.52511945,114554619.7549067,90671455.42018768,98218543.18928078,106203197.3592996]
["Com_189_neg","L-Threonic acid","--","C4 H8 O5",136.03655,1.416,135.02936,"--","--","HMDB0245425","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",472546489.7579442,309045317.2497976,260935344.9715941,405748371.5906566,366093023.4336257,401684300.1112142,207341930.9153985,366324672.81483,382261902.2357629,191920502.7394155,311949309.1418664,419486504.0345215,174823883.1797363,133886381.7617556,404181998.8217664,540078403.6761557,383611670.3207388,245004703.6661808,424427612.8636878,440031701.9368974,280704019.0340163,762539126.9848207,415445757.5198311,251777686.5991885,343581388.0741959,244452584.7052619,471842250.047197,396738873.6518016,194722279.7650531,314495697.4247185,274524541.025642,449622309.02805,274714164.8652971,346962170.1632299,268301892.2928212,240218621.8597412,227625539.6554573,408509909.6348344,238953347.8079802,264446174.6242094,207745335.0706314,392856022.02577,220278116.5320107,441843552.4828208,633361898.3193728,420075572.7798232,369694457.9609566,373019147.8157839,498279481.7118953,355454507.3259764,296951459.215423,189400518.2851465,451568417.2832861,336547682.0496858,192461813.904968,298443650.4565655,152167778.879371,445948497.8273958,144337197.341258,85729968.43397157,138683300.5484412,168763227.7732462,135539215.111561,178609211.8101062,183044851.9596524,183981791.038842,108083930.9457541,188347621.1328624,157428582.8752435,172344055.5514996,185463685.9331863]
["Com_192_neg","3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","--","C12 H20 O5",244.13063,5.725,243.12335,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},5699097.641956297,4682347.649787138,5101182.640569013,5103219.552080741,5581543.491956773,3335416.855922264,3475498.749069747,2707829.697839498,3899626.547146381,3670926.670669584,2826189.680397672,2457570.021258522,2457511.917236981,6357653.343882095,3699844.418664645,3691036.596448326,3688762.212920769,3394221.695506431,3700052.077551864,5047349.578609639,5929397.603008194,2980243.654526241,4291198.632952547,4338868.850689179,3301117.09342768,3255945.849641091,3272746.745772932,3858482.745728378,3729910.605343085,3378636.224334449,4752924.373209301,4758427.164141513,6540098.790917662,8310172.125405681,3137836.086928914,5787040.69464083,4050982.963103321,3801207.903874963,5295682.006200049,3354403.882620019,3136634.769855287,4025457.400886288,3181357.510735376,5270110.166480394,6193806.778559297,5268757.802156234,6083818.454184321,3376386.748132452,3998547.241851625,6800362.472546781,3558290.934251778,3351999.433696988,3046685.199694372,4496852.912023073,4576625.137011763,7328969.330588265,7239708.436266159,2602544.61308043,31462575.500138,31223108.06397264,28296681.45306771,56522171.85601246,27099460.38641709,29326719.62734888,29480592.61720439,34899010.87214008,48959603.50804812,33096173.47438831,25458603.42848055,34817714.31729179,33599468.13041622]
["Com_204_neg","Glutathione (reduced)","--","C10 H17 N3 O6 S",307.08308,1.691,306.07574,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",550799200.9083891,238654218.8428217,455088360.4034132,234670359.6349714,493472797.4931448,479942873.1781394,403322303.3352061,400447336.9169765,204032979.3646351,545974513.6913798,413960908.2683321,193958506.4860013,616394090.3718916,376947924.3319691,349284527.3840827,309458643.5536901,84148619.81560917,386986200.5490744,67233259.9306009,415163625.4270408,492910332.5532042,193141136.6423126,289160657.4365262,289296159.4869455,279571432.6207369,212855359.0202568,409834483.2223257,22096446.81544617,222332286.0155224,141499539.3399969,207697579.501438,306511056.557686,102222181.7899913,164439407.4986436,123447623.7089764,126554738.5011569,28204588.58535215,46222104.07442407,521982301.3662338,109232556.5289189,182393328.8590597,419130267.0275399,125890092.2545584,392688210.8365923,202182876.3604598,89854271.16511224,188987051.2409576,109554381.3944377,198129881.1582285,168026566.0349305,141102727.5721835,205820081.2686778,269821779.4945883,277412269.6771441,273755268.3716491,126675407.6164592,332493864.1619439,143562271.1408849,855975.696928311,933176.9493679666,709589.5239444637,1098197.926530368,729206.6547963554,673141.0598290787,697598.9581459824,790328.9918445566,813322.8208345791,1089399.182337985,732097.3156849061,715465.8957706668,753583.5223895693]
["Com_216_neg","2-Hydroxy-3-methylbutanoic acid","--","C5 H10 O3",118.0626,5.337,117.0554,"--","--","HMDB0000407","LMFA01050478","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",10217321.24805207,10123765.0192483,7549475.220817003,6212993.114267712,6954864.310841322,4580186.04289264,5385933.059661234,7090444.912167573,7550353.392812253,4890947.016225241,4521856.125605471,6202089.781382192,7056184.559321933,11524860.33885812,4179328.12365665,13045008.30097878,14760358.38571621,7202575.0981269,8734518.005291648,5553241.065753394,4692325.862931892,13419825.19112499,10463041.45654208,8515480.257755674,5468817.639772964,4811535.856283811,3597448.748328737,14250679.74700743,4545711.436191925,6507626.318502232,14432542.23616469,18000931.45522516,10969770.58916527,26945198.56217498,13503162.74672948,32493946.72990511,12424571.67129052,8031190.432265115,18243684.66752504,10677007.17916432,6526896.627540361,11784398.98760262,10471680.88715444,5575610.963789219,15401481.1543868,17693496.92675227,10639522.3246525,26164313.55460996,17175417.07794264,29256106.51233697,27909799.31158396,10421634.07816242,21405697.67039358,20988229.75470458,23170630.56126026,19437294.49044368,5999700.747689898,7633461.013169873,66729600.4755435,68544163.88720852,64181373.12986669,71741420.49468945,64019633.64809773,63225382.64579844,59429428.76484635,64322652.07684729,62333431.96665562,66985199.71751777,63925348.93081159,62496525.60819644,70202930.3446114]
["Com_225_neg","D-Glucosamine","D-Glucosamine; Chitosamine; 2-Amino-2-deoxy-D-glucose","C6 H13 N O5",179.07867,1.365,178.0714,"cpd:C00329","map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways","HMDB0030091","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",74392481.27460423,47504845.81394061,150996544.5061631,68881738.25777318,159508679.6770254,108421264.5512834,113647677.424821,86007872.65082955,103843219.6054139,194468901.9536656,165232576.2670515,123345772.6056202,233987675.4516195,30261574.18708441,117460533.417797,80145639.21449693,86672358.13868469,130439271.7733736,55770015.6980407,55124636.7052274,58664479.86291479,88378865.51145332,120405760.6781181,44206806.6436436,166828150.2617362,68014521.43203853,227667930.1455406,43574937.49710835,620416633.1113318,331671254.4309157,30931163.89772611,49844719.39569389,32936419.25788624,59791769.8806335,23074110.28067268,51305768.28729022,47236052.52353629,96519335.5071058,56147862.7909184,50543456.04894758,71136395.15344341,107156589.8705791,29838604.78498698,86142030.79421401,84467297.32144131,97183765.23086151,64016555.22020569,33747136.75856724,155721017.5222118,43857394.23318079,49036118.68906836,38675536.45741609,64664451.88252818,293431720.8778903,78706349.589369,52162120.0124654,96222379.17443484,204219695.4953236,119352968.914115,70543764.0436903,78620249.826158,77418342.0829021,78340332.38962603,86367710.07703258,94442229.36529788,107119451.088043,127556938.79329,83683789.98135655,70189638.51455697,71193107.75959767,73463039.83388709]
["Com_235_neg","3-Methyl-2-oxobutanoic acid","3-Methyl-2-oxobutanoic acid; 3-Methyl-2-oxobutyric acid; 3-Methyl-2-oxobutanoate; 2-Oxo-3-methylbutanoate; 2-Oxoisovalerate; 2-Oxoisopentanoate; alpha-Ketovaline; 2-Ketovaline; 2-Keto-3-methylbutyric acid","C5 H8 O3",116.047,5.131,115.03973,"cpd:C00141","map00280  Valine, leucine and isoleucine degradation;map00290  Valine, leucine and isoleucine biosynthesis;map00770  Pantothenate and CoA biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0030027","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","--","--","--","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Short-chain keto acids and derivatives","Short-chain keto acids and derivatives",13217877.64398256,10863599.80800402,13385547.5346611,11015903.63436666,12062039.49577147,14453656.99360456,10790725.64496084,9001445.15010377,12983730.12315654,11932550.95508292,12247938.54393554,9213468.311068336,12298056.40453216,15031357.55998892,14919666.48628727,12043904.23691754,10444750.48541333,12887852.553661,13903722.4944,18000019.17263461,12934695.63822485,12499492.47031929,14642364.28152672,19078331.4569736,17136204.88606925,8911535.552979816,14168438.63358669,16697530.38244872,14521485.99425396,16481768.0683885,19595453.01598908,16035604.49833047,14742356.22338496,14019330.0049638,12800813.81933777,20669361.75700409,14431281.89508921,14567872.53031453,27310940.26330583,21965627.81258695,11801420.42579018,14690627.71478015,16026719.14128181,12039095.75679737,17548294.71679827,15536626.78767217,12341094.81882326,17241252.53912166,11598153.21888067,12461154.47605177,14997171.12270654,10721772.97443666,17020578.51733424,12189494.86512702,15528605.74120243,15578767.34262286,15650527.9458934,9581255.618088298,46749642.7357541,43400620.72610324,55706370.85838578,52603026.14514081,54653063.86442154,55285397.01966019,56798667.26000557,59914980.11597943,59227753.34340739,64627516.71541176,59570737.62264971,55078204.98846605,65637768.81084921]
["Com_261_neg","Adenosine diphosphate ribose","ADP-ribose; ADP-D-ribose; Adenosine diphosphate ribose","C15 H23 N5 O14 P2",559.07041,3.023,558.06311,"cpd:C00301","map00230  Purine metabolism","HMDB0001178","--","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine nucleotide sugars","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine nucleotide sugars","Purine nucleotide sugars",4381293.791172789,3026269.637720484,1944652.875736465,30502429.16680843,3930947.421954486,37836028.73931418,42399487.88711534,56488484.13853984,6189544.930046778,6733936.847861467,2278258.96518202,3304623.96168844,4434223.8395914,2291655.469426954,558658231.157927,3695731.198587057,13658585.29879901,67866484.66881937,1872279.929484437,2123445.796589748,2531085.160083128,1680885.630087904,2192627.846874293,2387839.130656794,3074761.489161228,2919948.922643377,2210372.235797008,3941206.979035151,1870673.805978749,1750169.846046372,4112123.869025305,2775181.921784995,3599594.464722506,291433849.634171,5288107.995179724,48188683.4283061,2072573.993534373,13410000.12525539,2938744.040358097,362326229.2413754,5513670.744384621,2788978.03854963,4504426.472679224,4147341.850639147,3608622.409144178,2727326.626323165,3460303.872547636,49792853.01136672,4134993.355567576,4095623.232058685,2446596.276166363,2849811.738600902,5774998.969437707,2612018.590319671,3999198.177607546,2964418.885368357,2905090.685994733,2112233.155694588,8681615.07391335,10115282.83587425,16283953.94380229,18989692.00998977,20222506.9206148,16269965.35172223,18266411.1282265,20476124.3000604,19089732.39478166,20162522.87834175,20678809.7682481,19045121.86021291,19831764.69624917]
["Com_266_neg","Erythronolactone","--","C4 H6 O4",118.02607,2.268,117.01875,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Gamma butyrolactones",450178905.2670118,469002684.0369141,500774188.9485868,334539195.6894517,509146335.1160027,128409762.8782052,451045338.7238856,468153801.7045396,338523740.2384,345408593.7580101,482928966.3402774,388485973.5283481,447406028.2082114,507946100.8439685,213576604.1519138,485166207.238871,312610143.0485172,396853033.2054607,342170187.1683579,535816212.8171153,471628264.2140189,298280458.244968,118022352.7408797,227800727.6824203,302037617.169652,278406293.0997499,327213849.1225456,403155779.857771,247078038.3151617,290116104.7069436,233724084.1671839,267061387.8485242,323552595.5323457,345504826.9741061,236409279.196276,83411678.35926738,339594544.8556441,196690866.430722,411736568.129946,194230365.8169235,296615034.8458234,315842346.6445498,254587574.2709411,573067557.200216,378980065.2890353,331891112.7543089,387021982.5228819,96051019.5030538,430498066.6257018,563003335.8081591,222808650.5467809,306394128.1415049,216291223.6037187,137934829.5968546,55872097.38004689,81356051.7227266,325319189.171266,251247863.406652,329826080.711398,298505344.6373602,277176525.8354777,302606840.2258643,243920813.4134972,212831036.4141684,237417924.3878479,224117664.304866,236821668.8453982,257985960.2665651,259639062.3360226,276870474.9443584,319485506.7486408]
["Com_267_neg","D-(-)-Fructose","--","C6 H12 O6",180.0627,1.721,179.05542,"--","--","HMDB0000660","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","C-glycosyl compounds",37278576.7875599,24403057.82199203,27298994.85048421,26429939.29521486,44317381.66873006,26843318.88438807,42932210.28542783,39921686.22653107,23052680.84686954,108620510.249916,74049843.53357491,33270286.92731616,151841456.4367495,20300494.13813133,40335829.84315535,15232537.96364024,15611657.10546349,53965141.10290591,25055614.61655056,17832301.75865183,77489555.42840256,13710860.93792706,20227414.04347482,15854470.8211845,23937599.63780912,30930995.45822288,42167030.63711795,9388549.179566529,42426660.10257129,23085549.09012167,18058706.85168302,17165245.1866843,14593197.02979716,15850302.46893722,15406137.27175306,14557421.22269135,17445691.67713885,13231385.67590783,23742248.28955946,17657948.67792827,47932558.28998131,21506581.74571921,17124203.63428177,27768163.46406699,18329575.22933812,14237908.00001454,14512708.09165894,14678511.54573848,16430217.03093784,13610749.2103065,18600279.30627253,13600448.86577085,14097920.3851818,21132965.36496277,13685686.50809527,11699373.24647978,43623179.53662834,14895313.1914891,44401711.1747912,35013902.46304958,38289963.60210983,34295797.13872401,31501894.50976543,29713934.64849178,29089052.72511699,35168769.82775402,33457987.59653725,37874382.67931947,30837998.38355924,33229629.22630146,34285855.49396452]
["Com_279_neg","L-Ascorbic acid 2-sulfate","--","C6 H8 O9 S",255.98823,2.007,254.98091,"--","--","HMDB0060649","--","Organoheterocyclic compounds","Dihydrofurans","Furanones","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Dihydrofurans","Furanones","Butenolides",179505544.9014308,440697372.6853675,270133953.3020884,217059331.88077,298951661.2579626,193767458.4790473,229781019.8394922,182669339.2851857,205980206.348105,176569185.6401841,369613178.4831848,312636702.4585697,171745984.2788059,180077271.499043,288077433.6430781,330371865.0175476,410001156.0751973,148885978.5683022,243762382.5807937,286715424.107626,222084814.9632469,471174569.1385058,284362334.2571465,190679751.4758203,359907929.0329778,229795435.189083,331677935.7440408,19185494.07993866,186038968.4572196,245699163.2336256,257696919.4952981,220524872.1862906,231393002.9851835,195631515.0153171,170343745.9992835,99776154.73683824,199009037.7332336,233140178.8462088,109424709.0533223,97541061.35546336,210513004.5151968,226371296.7983636,168423240.5223912,381038505.8495762,376964174.7106779,234529219.3078008,201182957.3390184,250062138.7762523,166939315.7596201,124398187.8769235,290319975.985612,204722824.847527,228047141.9636427,215124636.6969703,179724298.0019512,260012862.2420625,88538007.04167488,322886357.3238655,135913091.801428,141867825.9255184,169807362.3040868,177553478.5851762,122087061.5495185,133581545.7904464,111459983.4086115,144235923.1876917,141638231.9671089,64659332.09430799,189113423.8031081,130924667.6462144,147731729.5574621]
["Com_290_neg","Lithocholic Acid","Lithocholic acid; Lithocholate; 3alpha-Hydroxy-5beta-cholanate; 3alpha-Hydroxy-5beta-cholanic acid","C24 H40 O3",376.29687,9.113,375.28934,"cpd:C03990","map04976  Bile secretion","HMDB0000761","LMST04010003","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Bile acids and derivatives [ST04]","C24 bile acids, alcohols, and derivatives [ST0401]","Full match","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Monohydroxy bile acids, alcohols and derivatives",188120.8723992304,34747.41721414919,123151.6262835038,38614.86559826668,49072.55760523248,222017.16119068,125289.1784574834,36220.73983111662,534322.3234933163,32747.83995527613,36694.91576188885,42381.45431631178,76086.48868804063,200313.2327203357,243322.3479155044,62108.54160533219,30794.68600400631,73559.74578711473,464379.0581383067,65343.1513737742,107998.1236163616,51049.3489451255,195036.2805130294,111147.7773268578,60104.88131371335,55914.53343881104,28671.84764863014,28152.34911729401,40399.84956145506,49134.5529690378,65181.93112325314,89121.38179645786,52723.14506090592,59109.35927170364,40689.13653666087,79149.13236462286,56401.1165563377,32044.35228469253,1688841.340694115,110639.4439192155,76704.45890781043,309859.7947612767,95470.39803981077,60223.99167021718,59699.58172692553,76769.28656104229,122487.31223891,30259.73710426409,32589.23830396622,94981.56348029929,133827.5555371286,171122.8117507365,240177.7511755385,60275.32101107418,163179.4429947,295666.3881816185,175148.6876411285,101682.2261734742,83248827.0884548,81808954.9969455,80931236.79866442,89299955.99080701,79425230.38316512,83544881.76045072,58046905.07235866,74440636.90486658,60057280.35418793,87415563.73551548,72824346.08426031,84455987.19777024,75869198.2162321]
["Com_292_neg","Fumaric acid","Fumarate; Fumaric acid; trans-Butenedioic acid","C4 H4 O4",116.01058,2.547,115.00331,"cpd:C00122","map00020  Citrate cycle (TCA cycle);map00190  Oxidative phosphorylation;map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00350  Tyrosine metabolism;map00360  Phenylalanine metabolism;map00620  Pyruvate metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism;map01100  Metabolic pathways","HMDB0000134","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",203912185.1213273,255318619.1999366,219116134.3464805,204890697.9448613,172898340.0282818,220474142.708047,121983884.1143674,166629701.1904306,172083167.3337615,79820832.15133078,238098134.2520156,237989903.1106093,134829582.6453584,375962031.6896122,172954221.4619201,238993065.06792,163800429.9371293,274433829.8962761,233571601.8141223,160612526.1604992,87684019.7383333,191600567.0364688,174407793.8619122,156985145.1401628,132005894.6047383,200198384.0180439,165905351.727474,214807931.6930321,110169854.2959975,188578007.7467902,293998268.7563278,273349862.999756,298818078.5257123,299346178.8663642,560333953.9156395,145388576.1487702,295603875.0963049,258186856.0732107,287240866.4993661,79343210.51213352,132035359.2487355,227873904.6918932,176025118.7905708,120292208.907459,224051264.1573195,384636581.7059847,215812143.9656237,287017125.7798538,229516142.8335331,282165512.9438189,551758300.4243597,335019875.3069825,503404405.5769498,582182040.0649207,610267340.3201057,137400984.6478479,367783916.1622496,279924380.8226451,142433740.30951,95124561.10783374,145187415.4907877,181227553.6830034,235561188.4289855,190508944.8913181,127286021.6686829,233688217.6986892,241645136.5759651,252566166.329791,238932136.8002049,249032042.5527114,267197961.5296339]
["Com_297_neg","(2R)-2,3-Dihydroxypropanoic acid","--","C3 H6 O4",106.02624,1.453,105.019,"--","--","HMDB0000148","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",15181406.27603472,2155639.821581063,5521099.867107664,3385260.707207746,8562340.1931251,11651582.10677301,3923073.457795077,4564153.412793265,6165608.298128147,5749176.813990413,3545905.784469852,8731298.065782584,7890263.999900787,17790605.65161062,17520342.28445841,4411555.342435972,1891264.164825448,6490442.798725697,3534871.327688726,2431010.012017046,11250821.11539714,1989295.506611098,3968806.444253634,4898810.104507278,2001980.086502947,8503325.26487319,2034928.403406413,2302954.581743006,7713389.504086439,4811391.830130516,22150351.49423289,7038086.225749889,17332636.94292609,32692759.92047559,12392689.5459592,47160528.30134396,26009329.81215248,23997549.07295706,33045576.33271652,13123021.04896454,6384944.105886096,14499304.68416342,9783938.711090716,5853423.327527437,4971052.5120448,21266465.23364232,5681500.652900378,13918980.38164903,22289122.38060665,15421359.80533428,21905820.85866946,19242792.33300567,13210398.50472986,15281697.58296714,59652372.81766227,11215361.96849669,25614303.54269712,4773471.604649028,94343107.3364008,100463498.1224733,105037058.6622907,115127770.5601711,108052738.0699676,108905732.0424062,105362834.4266052,112919580.8393941,111966372.1398476,134272547.9359668,104865154.0515248,106238693.2538534,116809505.652931]
["Com_303_neg","UDP-N-acetylglucosamine","UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine","C17 H27 N3 O17 P2",112.02687,1.903,111.01968,"cpd:C00043","map00520  Amino sugar and nucleotide sugar metabolism;map00524  Neomycin, kanamycin and gentamicin biosynthesis;map01100  Metabolic pathways;map04931  Insulin resistance","HMDB0000290","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","--","--","--","No results","Invalid mass","No match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","Pyrimidine nucleotide sugars",96205056.99099556,114487501.4822436,180229560.27456,108732145.642764,81600729.96323025,129090656.3652478,82576424.70641418,110510773.7934242,94938491.71098275,167276252.7341566,44409912.86952024,76139501.6966109,43151370.46845255,116661209.0592419,154299418.3842387,114575351.1713447,65384060.30027261,34111922.85996363,45093844.73614524,143409156.4598711,63629745.71558809,95127274.58697224,80891816.63213567,68316220.48084864,78323115.13859148,100512218.3532275,116122674.2027838,70355094.29884236,59240268.10585328,90738991.36958694,160829448.5615226,170586610.069379,84382746.23237436,97119324.98580988,199410600.5812544,128976252.1837561,86555540.12670162,78657989.62935433,125296834.2089588,94085031.75148548,55946070.33861946,93984910.55520631,70992952.57662483,83108977.81948103,171108349.8963312,178496435.9831669,62507048.25233959,138339595.5263951,119236265.9147779,102291855.6293192,112254817.8686171,96157332.70541269,113575389.3736766,155402455.4059443,267189742.217885,149842863.8437983,90769750.61611056,67849788.21965222,180079120.964392,180717897.0226711,203690545.7452218,214722340.1329308,131572180.7751674,116525680.0374407,160316050.3988206,140162715.3476548,167409896.7685491,168607011.4126622,192166196.1026917,128059558.557705,149453457.8517775]
["Com_316_neg","7-Hydroxy-3,4-dihydrocarbostyril","--","C9 H9 N O2",163.0628,5.356,162.0555,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","Hydroquinolones",465178.4137938491,287542.3006335595,431589.4889820502,272558.3860632114,456776.5286830975,430832.3922921966,418151.6487581859,363058.345845114,828865.2271955309,617243.2966163486,273901.554159166,267156.1422798185,422162.7669087893,413196.9311602696,463536.509660672,432820.3741304253,453465.0984327383,353211.3568112627,581656.070220983,700994.3330611447,370885.3095422296,813115.6298150752,826292.8392771492,1154890.837637644,542680.8314030268,314557.6716371612,356427.5915175038,6540782.605133876,472657.4926167491,381750.9670790586,1956583.754902632,812301.5122719788,1464163.622283187,1936241.37047362,534443.371547289,11786689.29051679,460031.2020888329,936241.21357567,4509881.732870637,595941.5170132113,399579.1969840272,5285310.821389209,1046375.456184449,526855.7226091485,1219163.395490343,481355.1739088179,990416.737935857,626909.1864897385,861255.3934879001,649724.8753659877,2200047.208222925,514952.2684249282,574409.6340426856,518807.4797406497,647996.2381885427,1286097.828247924,2000079.952080306,316802.1630169244,127133360.376241,138938312.3943332,123133644.1629586,139672435.9594974,127723728.6637706,113949402.1709378,113023008.3481678,109550910.8066137,113275233.3734102,130206248.1565314,119072788.7195731,98576291.67903158,125173138.3304855]
["Com_328_neg","D-Gluconic acid","D-Gluconic acid; D-Gluconate; D-gluco-Hexonic acid","C6 H12 O7",196.05757,1.581,195.05028,"cpd:C00257","map00030  Pentose phosphate pathway;map01100  Metabolic pathways;map01200  Carbon metabolism","HMDB0303730","--","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Gluconolactones",145404905.2430718,84930711.9108246,128201913.1398326,52341549.53613561,117283304.7579478,199122432.2565145,195576536.8748997,135767715.1660158,172844192.5302527,374022639.7581352,165930235.2467543,172617492.6560491,126897738.1285806,95413380.33735935,138612889.1915565,61426994.5308647,125795294.643365,224137367.6115446,100017253.8500782,106577591.0324858,298737025.9553868,109365799.5143086,129043164.1131232,299040542.7804466,179438823.5145591,189607902.8250258,147322061.9902339,218221316.1301018,216929951.6609327,192971937.5452473,121365263.8385113,124937915.9752698,156195549.3260261,58523583.6249033,115891403.568387,41369899.47089788,206122948.6531068,148104979.2786954,111037628.2242569,330702871.0819055,291414834.3793129,150173949.5585352,185834418.9002051,118576716.9152633,45787854.59115155,107426990.4216517,102459872.3549855,66364488.23374328,35479341.47200415,77641232.13255394,64916258.7668998,174324074.722013,20276200.92045135,45634351.17056835,50223166.63667688,21865507.80562877,158222520.8558989,77897911.25152165,127754411.792789,96322071.11326648,129476669.6221192,101571747.3208051,114084970.895477,93632830.53452508,107693883.5093024,110407070.0955866,123287844.0375576,96508540.30139966,85620838.13354298,117135505.7632347,111607111.1895357]
["Com_329_neg","6-Phosphogluconic acid","--","C6 H13 O10 P",276.02391,2.055,275.01663,"--","--","HMDB0001316","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","None","None","None","None",90430024.6568652,88092756.09895241,78210314.57881667,89192318.2730323,96822061.60306557,148937880.5146098,101679637.7357336,90373879.54953185,83148742.59691684,88981213.16890188,53205596.60572194,84869748.08500415,46059483.59682415,68009040.3769962,105349648.8017726,103552422.4573098,52793749.57955505,109003670.3969631,48838021.13730677,91328219.45936924,69613164.59026954,82584376.74729064,117914739.7640042,75837793.7299637,78523369.69515498,79316481.29064448,88529941.08759993,13059689.14893325,102203013.8040931,55696551.39491588,78357367.7871169,170368456.4707346,91166819.35716145,103689910.0893206,180545443.5818238,64299771.1515528,133675225.96664,117709894.4067776,121700901.5389495,45897468.44161497,43951622.98327117,60403175.67030552,46994975.58184222,93299144.2085296,95487380.66436186,94015944.63930416,197659115.2643784,90522637.39846948,84335737.1981879,55701914.41261449,69704894.60471787,123132162.9223982,175866066.075131,324801042.7154356,385207412.1739934,60542721.97918747,45726534.24744239,106245204.5519443,4999838.7004162,5878834.731980556,5774571.836371666,6413259.144404055,5563782.338308565,5876647.790573828,7205335.42332422,5799941.212780379,6424451.6095511,6264552.32116459,2830186.77959384,5466258.501030584,5988352.265029759]
["Com_339_neg","O-Acetylserine","--","C5 H9 N O4",147.0528,1.753,146.0455,"--","--","HMDB0003011","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",365310990.791486,260972058.322628,254439653.2244782,145140194.7822794,132283521.6677018,185439634.5095791,142344173.9175069,184978537.2624572,211514498.04975,134061850.5799641,124380522.5538652,141819792.1046695,107188995.6773232,288529636.8080394,166032816.8647373,157025894.3734169,142442879.4344393,158915043.1232516,180913207.8763114,285215559.3381116,151764542.3107676,141603476.3990927,116204806.7922449,224590464.1381324,182174030.5727305,164014520.8932239,143328254.5327657,160113190.1140996,119854329.6678181,145011774.2520785,269537450.8336186,239854723.0228108,285373272.9125573,221927705.2130348,285557850.3994132,251374117.7772312,204600521.1061068,153673880.3933837,102606513.6765663,258605618.6281755,145418157.1859366,356904265.3835151,254046636.0529541,186838655.9275393,152623860.7978005,189659442.328112,219292587.9014401,213212687.4492846,280572394.2541175,185262981.517836,153537180.1087003,187172784.0753726,192895270.5748197,136190502.8534139,83331541.81794217,200464687.1016301,150521602.0769562,112147939.7173453,357957609.137553,241111751.7125829,265133425.2701218,260581887.8053293,220725020.5254141,207340388.605856,201296644.2902078,239358955.6359143,202701909.1689938,226601391.5222101,206773642.8122209,268806168.2588152,252052520.3311928]
["Com_340_neg","4-amino-2-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile","--","C12 H9 Cl N4 S",276.02409,2.492,275.01682,"--","--","--","--","--","--","--","--","--","--","Full match","No match","No match",{"$nulls":4},17798876.75303661,22767790.4310753,37296830.93147361,42310512.41218729,77874482.95300952,106943720.2276668,70483576.17207341,68783292.65118168,76219442.90436505,20432200.18662828,17782885.03971867,32773133.12210438,37664362.31617979,43813740.66225228,82774256.98640978,81794723.96460415,71903226.27555983,103555440.4414897,59239641.08151357,23265359.01097614,20189849.21479905,37468144.02669349,65171481.62350344,48083796.28609461,63196429.21171707,66181574.34454143,64949416.3861775,51711132.58810724,107574556.5346925,79770480.93378116,19797115.48310971,63841737.45776913,38543628.29630955,59345483.8136855,129177839.6905061,47527761.90782322,98813582.77373636,100173926.9862547,148869155.6943598,40961844.74033234,11875500.33738181,17380760.87174521,24013181.24277091,59688019.25835294,75752006.56682546,97122196.4053446,203293287.5694996,85486000.16866714,23810924.24428468,23472998.26847138,34227595.65796662,92951512.23673923,158822228.2695768,248826795.5506742,355850789.5222983,49569541.99064536,132737071.4635266,126190348.9350194,1664934.05458283,1614998.714452618,1466349.414704867,2095695.261473289,2023529.632319536,1447722.922072268,2079091.779078936,1656371.741481309,1637211.364578726,1549838.694117318,1503746.684284274,1840604.421361603,1606910.027236322]
["Com_342_neg","D-Glucaric acid","D-Glucarate; D-Glucaric acid; L-Gularic acid; D-Saccharic acid; D-Glucosaccharic acid; Glucaric acid; Glucarate","C6 H10 O8",210.03696,1.518,209.02954,"cpd:C00818","map00053  Ascorbate and aldarate metabolism;map01100  Metabolic pathways","HMDB0000663","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Glucuronic acid derivatives",65736745.71175002,205529574.4790092,129791216.331686,86963204.98635583,106066713.8064992,19281335.65598291,27638924.03567276,171386255.0615205,260112932.2474157,124187384.3704034,161258602.5983266,220087113.0189752,69404857.52354814,53879250.75300522,30555182.61736097,210120338.6018789,135113599.0279094,191778932.1480113,426385104.3750204,116758427.189516,272075949.0129744,27365564.62108153,298165155.675325,202222443.9401516,159935271.989065,227422486.1132664,247738473.1131541,106342264.504855,262660423.0054681,235319358.7254213,235044762.5398325,350002040.3023164,221305560.3538617,276604664.5108773,237932207.6282134,219389252.5286455,181442937.5924423,257300378.4933619,171736943.2193886,163558308.9666036,135922502.2901059,100433677.0911197,70517642.7618075,166552449.9909773,124474944.5371827,132691434.8269734,102432383.2524663,181527838.8211962,152957380.0054955,160258232.9621147,35581313.45011461,231427446.4680957,220031457.0443067,107750389.6617074,20137177.71518801,172077616.7081059,277619619.2120761,194602955.7798486,337992238.860359,183209256.2162231,413004871.9929082,351039197.536705,434455700.6817054,448358010.5164522,417568328.1439256,398040010.0843371,501239132.1088809,489972990.5059701,451292629.6747089,226654434.1199629,460681701.2904204]
["Com_351_neg","D-(+)-Galactose","--","C6 H12 O6",226.06821,1.474,225.06084,"--","--","HMDB0000143","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",92452262.53774984,60030896.43146399,65023758.75721346,75189126.69648694,105191168.1114192,66132645.49849394,124825799.9285547,146571806.7881955,88596608.01421851,340587315.4395398,191005434.3007806,93119851.41355912,316101491.1153528,52737169.36751397,98801507.9548856,49174287.45738286,62583004.42301857,200864841.4730227,96825534.41314806,33980086.41658136,138919934.5570299,34631161.54639836,54925809.9527695,31113598.20998338,65854770.47108733,94004201.17788562,117768791.5700267,36431213.41953505,166029164.6702015,134438131.4860933,28778570.87852067,33710118.42445023,35238788.76362423,33426235.42726548,45225925.5492478,26034706.21060905,48889492.50742333,40408194.70025784,72520109.4491143,66111290.2369126,98301391.27259266,41031939.91474723,37076394.62729062,54703946.60677093,65280976.9644744,30270137.32880835,58665983.97257499,50895326.53259075,35024584.07984076,25882350.14852979,46876405.46244408,27815493.17097163,31309618.18654451,69893439.05705376,40074820.40006066,43864418.79058097,122556000.2487029,58615789.35263649,85976403.1495069,78613116.1210918,71486822.61588682,86625240.94216146,88523401.94391204,117204677.288974,95216476.08877528,91755637.68277504,105434845.6174981,94589025.53939578,90275622.56011207,90045501.54089299,96025047.64594094]
["Com_366_neg","Sulfoacetic acid","Sulfoacetate; Sulfoacetic acid","C2 H4 O5 S",139.97742,2.817,138.97014,"cpd:C14179","map00430  Taurine and hypotaurine metabolism","HMDB0258590","--","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","Organosulfonic acids",1980959.090638081,1782535.291891624,1500630.065669321,1350919.588065088,1664579.001354481,1703501.867087788,1989594.023569656,1728627.908942818,1942013.493520536,1351051.462284417,2071067.586183116,1890153.670380728,1616318.071273982,2925665.748415689,1792043.711048337,2066529.925989341,4266479.086018728,1564219.034503803,1924395.661730798,1739211.684101997,1544463.120602969,2215055.015764885,1587473.4829762,1700990.254544916,1661729.099272146,1324913.269771861,1914142.977775734,1817857.813266981,1602830.265074011,1594506.265246743,2218781.920873475,1856413.467197242,3205995.451081883,3051577.562757595,2084570.197935622,2755696.212113181,3702290.312381108,1791182.144855714,2531545.081460242,1899549.020645773,1507167.096636809,1593259.35028524,1773293.632055336,2340873.938690338,2153911.758175122,2875907.421741467,2173469.35490247,3219182.938705564,3304869.543775771,2119246.61830092,2318025.514132893,1830557.867927679,2405047.243917583,1833507.333434062,2346902.19609357,3819111.676913095,1872815.245892116,1617534.919208454,5236477.05670509,8284826.884998704,16996474.04198173,16865106.17171357,16428329.37652571,14535245.06270491,14231417.94099804,14058415.43335089,14488584.1045895,18042814.49544128,20431828.99438433,16550590.01021326,20333735.60602226]
["Com_371_neg","N1-[4-(cyanomethyl)phenyl]-4-chlorobenzamide","--","C15 H11 Cl N2 O",270.0524,6.006,269.04514,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},220687.9823467332,55464.83542788721,56726.64709652188,52560.80458586868,104020.0757291105,116090.7706563745,63011.84363090446,52556.65259226394,54130.47623494776,356394.7139723563,60086.65120642052,65290.2376940647,45551.90581848768,51309.57735423702,50729.25498829752,78483.83198929127,101677.1677960809,101601.0078787025,69942.10858587085,1659829.631066036,3166070.669932093,344487.862137595,1866217.716438359,12436620.41346931,2602394.312327316,66639.39678648651,377578.4259260917,463709.8033008044,2216683.479517344,1489959.906771808,5783249.554805002,3756008.249402304,2659825.789238253,5536460.589399894,845974.5836380684,3516001.181583458,1719025.292499727,1387743.066981904,3854761.7504112,3110056.510557378,76010.25732033272,152401.4043618038,52970.10862584964,75264.62832262205,84498.13769529735,47981.66539726453,52544.34905550517,444676.0767471691,81649.04353410343,60973.24293956506,340709.8151462424,52334.41904677312,47140.78222619069,45448.47544688822,50703.2857590545,52611.12175547553,50512.43821637321,54858.64256784986,64163103.681203,62526013.67145486,67656778.46799715,64963412.76717237,66107822.00974177,53603741.53784797,50538933.24174522,53388897.38328503,45846428.41677805,54942345.86149664,42904384.51757832,66058218.77844712,56106637.70700119]
["Com_374_neg","4-benzyl-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione","--","C15 H12 Cl N3 S",301.0463,1.57,300.03909,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},47786034.09564508,79366213.86301872,30988985.46209201,46623275.45510981,55340353.0526173,46937806.08727739,38952710.42563882,51748839.19319424,20042048.43549532,23480741.63669956,28725762.87055155,52980084.0229305,28995669.00306129,45323200.55814962,34532513.287287,18351340.11789163,40894923.33350504,48588678.08848539,34659867.00315294,34808557.00551686,44303534.11629824,47043049.18615329,74844818.36247973,52322338.20345295,45077216.02874456,73028436.61751486,37735307.009557,55358989.73202978,15013854.54563641,19489966.19888944,73757517.4805372,72158660.48819657,120737316.989001,70077568.62625295,36717255.57209393,46852008.57958204,57003727.27627297,14788169.16982755,62181469.86337081,52632767.3962836,56878338.60069442,44183358.00882416,86403845.69193195,84305058.12035461,110856327.8078877,50729937.85703095,72536922.48252319,37165567.02540935,100654594.8536735,104844331.8133959,71261957.20321327,50707580.95331621,70888333.1756,76314047.29068954,40629314.29672457,66746156.72024642,57813613.03062419,45706712.04423418,66411708.9059266,53173211.63885239,49812126.43569928,58710089.64618045,39418740.44839315,35897832.91240635,35053483.63464893,34207340.66535631,35990363.49580111,39283367.10615762,39249261.17294898,40270870.77002025,46585873.9885779]
["Com_381_neg","3-Phenyllactic acid","--","C9 H10 O3",166.06241,5.699,165.05513,"--","--","HMDB0000779","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",1196450.921928399,765376.8610870581,1055595.148395295,1044584.448919144,994434.6518910404,1092350.852567127,738790.1876114706,1028599.79487453,1126408.960164942,910402.8146682295,1165862.80761016,1080505.56121672,1092593.860738174,1058913.397126122,862395.2060608943,806808.5468734567,2035211.511992506,875455.6306506409,1065820.732914267,1482466.061568732,1286622.026253675,2371080.474452716,2105751.963271104,2193337.284658282,1378915.670473277,710661.4583475867,809520.911998168,3947367.886079353,1245650.42519107,1346539.091621491,3044478.198480973,2880354.640839071,1956975.803410418,4039854.076007186,1829558.138765428,4438670.70908423,1966877.441179665,2468170.971110024,9403164.65844254,2231209.525166383,1649350.798234582,1846351.645362891,1346701.129914859,979996.4352678506,1675756.7389565,1834349.867993845,877485.883410884,1715324.071409946,2824238.388822306,3100885.134177976,5774029.022303582,1495129.628199717,1007391.792322127,3431380.631690336,2469886.228481558,2123849.690223329,1339112.449918944,1001449.881696879,31317829.5462159,31569542.70603508,29264141.65518921,31961352.64918042,26933609.49677519,27660020.41959996,27665953.02997992,26957183.3754929,30559057.23153621,30887124.7078855,28563799.10082754,33506316.56886227,26994162.66898501]
["Com_394_neg","2,3-dinor Prostaglandin E1","--","C18 H30 O5",308.19813,7.737,307.19092,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",1139915.07309689,140375.3274659969,744391.2980056449,184612.4420611101,292491.8052970325,1215530.231164098,162494.6574699866,321264.064292769,416662.8582260378,497988.5607554397,608958.7868739752,1421821.082827151,590210.5560998468,466012.78122539,706674.7381660864,125412.1432520901,351172.8209312081,1445636.405197936,2898406.226439341,502538.7578289706,168657.4978624092,290232.2310172755,176335.6447152114,198801.194213685,358736.6044648939,683402.8716840672,128614.0072555489,119166.3271525696,1169367.203206643,393978.2578576735,380121.5431886916,1221082.994174054,214544.3773668177,244787.9900106052,174758.2513628425,224192.7124743417,652488.1894154202,105318.7092786262,12407009.72307206,1603181.224770151,286632.1520576734,929619.9751356072,364407.8206142975,524577.8609470186,193285.8360890541,225901.5735073756,181718.0587379661,175839.9531740661,209242.1771741917,1814998.160358096,1320243.676772079,703385.8449817635,586311.6450477969,161128.6275959527,451058.0172590809,327370.7823342803,5078252.699107471,1180801.499164212,28892616.2317271,28918818.13356718,24679550.60677164,26621613.9159974,26705436.64082994,25426172.14633056,22722835.7738286,22729979.71560344,18410720.27556508,22577862.14260703,17160539.86864166,27320129.17728528,23433628.88796742]
["Com_395_neg","5-amino-1-phenyl-1H-pyrazole-4-carbonitrile","--","C10 H8 N4",184.07295,5.728,183.06581,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},52348616.98514284,33694740.48062024,30210920.1763991,23333965.39821487,29193237.27668337,33641527.49055664,17013559.80615998,49223928.69829585,32693250.1670386,23804081.44849696,25705306.63312207,29992287.07548497,20360816.72881619,37382764.05490483,24297735.10561689,22057479.55738878,15992981.5817529,36045022.71134825,29777453.2125676,28014183.54968585,24271690.56395306,18395678.29308769,24626224.69894688,24748973.60003077,24381075.21178766,23441855.06422951,19550403.19443077,18333099.15691492,27722421.2354518,21362948.05379953,35968887.15447494,33812527.35059156,37616904.08541165,65796930.14432542,35367873.44314434,55205485.9788101,35345534.61278279,35114896.09385011,43398805.7702143,49864414.63464168,26685966.48768535,38084402.04784645,26064066.82180668,41583780.53762028,39572769.19884279,46781262.40877144,32090348.59696261,32327466.32815089,30106172.49222499,33503317.09519922,33691054.21531659,24413890.60373691,30372651.03155373,44684147.90903581,33534313.07483333,50812003.55871559,23865847.54416821,17671938.57651955,34556185.4159293,35246644.46527392,33876810.13426547,35827742.47636387,30794130.66194142,31385692.93452217,30986507.94308088,30604345.3905312,34897445.88619679,35735236.32376333,32788837.53545798,38480118.37550476,32364347.17863714]
["Com_396_neg","Phenylacetaldehyde","Phenylacetaldehyde; alpha-Tolualdehyde","C8 H8 O",120.05691,5.712,119.04972,"cpd:C00601","map00360  Phenylalanine metabolism;map01100  Metabolic pathways","HMDB0006236","--","Benzenoids","Benzene and substituted derivatives","Phenylacetaldehydes","--","--","--","No results","Invalid mass","No results","Benzenoids","Benzene and substituted derivatives","Phenylacetaldehydes","Phenylacetaldehydes",790931.1389816266,459677.6864702847,621394.475775131,554364.735887327,576692.3736150505,654011.6057644298,391109.1878194531,724983.4025151818,672407.0140372822,575616.277824724,777093.0549433324,649950.9702983815,739745.2095328178,624909.7901688684,443213.4336275384,446303.5039372859,1349370.087171942,566060.8993038109,717875.7799448456,1021354.65734776,902414.432628039,1633046.05695439,1555327.910113294,1568895.741923421,872095.1025281393,415614.6481901599,600596.5917704392,3458286.357629055,825061.480166233,842473.2502951322,2269937.840275575,2309813.787130662,1392828.287612978,3133818.943375965,1274285.271749303,3463220.253620194,1414950.656189839,1815564.189213046,8792116.996999143,1613939.02976359,1096945.017360154,1339967.979977202,1023193.576999824,574174.0093789282,1093244.975289463,1332323.723960538,607998.262265165,1115374.009881503,2170876.829372774,2419155.138553452,5357606.701710383,975476.543360905,703876.7378381335,2689586.740904908,1899193.831991059,1646463.161780706,922461.2523159446,627740.2748780996,29273139.6312141,29743049.49158143,27317107.79666061,30092015.54577909,25152057.76889054,25759222.98353356,25496793.91124029,25332544.26208137,28806670.64543106,29132022.77196674,26947939.34437076,31386821.98795338,25459922.50049928]
["Com_401_neg","3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid","--","C9 H17 N O4",203.11521,5.741,202.10794,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},41374696.69953762,20502982.0820287,24187688.8212593,30718326.64616831,43241252.28639805,36449303.91715208,35366267.93873404,57567436.34130771,29169375.6692959,76551844.79148108,67284521.19200286,46859257.35726042,83630093.83309442,48300962.96919185,34154333.13269274,15210639.74024218,12482578.40209188,82721098.56947349,33595887.22278695,33315841.37210896,64823025.84939381,9962469.607895132,25715941.88904216,32329924.68560099,20955360.45318221,41862711.93003377,32065821.30239438,15044071.33197957,56045241.79706792,24494677.96591699,45253202.15170199,45738444.9879029,45611508.02660076,61418010.94634193,29894169.60614979,65771569.13925292,45700595.19164195,31279786.2328334,55790366.10749102,57167230.63996578,43168512.37014826,44560927.4374378,38297053.40060674,36413336.73275335,28158042.52934093,31053181.12468139,19917303.87508561,21092720.41376238,41828845.99706601,36268968.71489007,25703303.11368758,29354435.55897141,32903391.27584342,74468649.26163098,48392544.83106094,27522189.15462911,84318972.01734242,18825803.96831277,49531011.7816256,53429602.1342613,47915523.04064187,49304523.17850338,39312177.2196384,42675333.87394635,37839349.05304719,44289135.09139248,47304542.76535612,46149205.44008752,44346537.84012703,50605521.37777785,44622435.5017926]
["Com_429_neg","3-Hydroxy-3-methylglutaric acid","--","C6 H10 O5",162.05218,2.935,161.04491,"--","--","HMDB0000355","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",59309495.2630724,123913201.2538169,88593815.85445477,52423200.30317569,66653874.50487968,62976486.26791956,75142304.18435149,69504193.20184343,99618520.51627904,80176907.94184054,68706511.57090525,83449284.05529916,86493560.8766103,101686564.7497842,94393570.38685083,64923433.53915372,43733090.42390034,91635210.8826532,147867985.4736661,145207309.1274992,109069354.2876864,64763032.9122381,63202010.14412997,69820646.84099516,105884030.7816562,120253852.3268187,152840284.3681016,106223083.5706124,91014190.45442893,77166532.69322726,176236337.3274968,84763506.11899583,101661489.9660557,110010897.1822774,84101633.60771866,209224367.582975,121118476.0805923,78821345.96562041,186133046.0372244,113532796.9787577,50173307.84429735,72056254.76572987,86695490.9511003,111421477.5688656,69795051.24776207,113089907.2830192,41356729.44440195,350116684.4631082,66161948.77499358,118077175.9170138,68247287.84088074,58616037.26998728,76017094.2285925,74930763.01580095,149109773.1129655,91270129.22204284,68677635.83984183,97394103.05367815,75070262.8485941,83030633.68252064,80946267.38309102,79386726.84744464,82224438.38718486,81578579.52522878,86481028.81855582,76285864.79357067,74057380.71488065,73561074.00069773,70838900.25889848,84867481.56666657,83015933.71562321]
["Com_441_neg","FAHFA (18:2/18:1)","--","C36 H64 O4",560.4788,10.225,559.47107,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",30524920.18623404,97640002.45810744,120590127.8247828,80751727.55895947,114681317.8720675,108863132.9310385,30668600.26356897,85794238.78331542,31894034.48402126,23518192.39023986,60748577.95363781,100365444.4787885,22606979.44968533,63577823.1699321,88720288.45526136,111801957.0831688,60272579.51859751,36942160.79023793,95601560.42078663,122686827.7485236,51966226.76403233,64375543.79786389,67245717.83793135,58715667.30348745,76189525.00889555,64484437.53300059,53463312.10665409,30116580.25843826,57198347.06052174,55837869.06642924,78984458.72001362,107561104.3881585,63107733.11869421,71765476.11704552,110025520.8645811,38646260.49249824,84517645.30469696,108235491.8846911,40215220.4114663,72990185.89957246,56082535.78609548,47948501.39861058,49576624.03626214,81287071.83640918,83573843.92633338,67929981.71789043,57804344.60303297,19580241.5630507,52608279.28901062,77454260.46863435,53369759.54249253,29481689.95744589,33954948.56354348,86863268.57463092,61638571.63977865,84811627.60911913,31982608.8577472,20758432.76485108,185114299.819022,69324361.68931566,180912359.2940242,177826124.6343381,163177966.6431963,133936992.5465113,150735377.915552,153828620.8707375,158218747.381826,151166841.6834873,146227699.2368938,133710240.366373,131375975.2481641]
["Com_481_neg","trans-Petroselinic Acid","--","C18 H34 O2",282.25508,10.88,281.2478,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",54976831.26604704,53197744.4528271,64817310.77782745,72885433.08590786,54107647.06895357,48263235.36872472,23369795.60083618,47330867.43649759,50534981.55544131,25671340.45561181,45266456.15022461,61765408.12594912,25907200.12115702,56938070.57705811,51245827.95998257,56660949.68727933,32240642.03572242,28572508.09463716,62827394.85447458,66412062.67185012,41013899.10132521,56788338.50063323,45084179.26195262,38094532.53817764,58609891.37546585,49047242.12096856,34760206.93767113,36140663.01587432,40433419.81811234,34500631.92391982,38906187.86043034,42959285.88812853,44559740.12855139,47759151.00602036,68636366.94097543,34680848.09047091,57326540.30908194,58586186.2709884,31587967.65208893,68429829.27568254,40500417.33782742,37193963.83405108,48679593.91780221,51833859.68038439,61726260.65139141,32107355.13002048,49868954.01329529,44995221.38994956,37204610.600724,54152934.91904682,44551509.61022626,41936907.59131021,27965950.07863588,34919523.89754048,23264601.05591347,88373618.58585367,30771994.6512492,45559017.78987899,143876152.457474,142088771.0791448,177804074.7920228,136409950.3777861,209879863.4408801,114354908.6030013,99588651.7385571,138277566.5493865,134289011.1983133,97367071.2207962,100524503.2970723,163388824.8464002,158875752.3136159]
["Com_482_neg","Pseudouridine","Pseudouridine","C9 H12 N2 O6",244.06887,1.455,243.06137,"cpd:C02067","map00240  Pyrimidine metabolism","HMDB0000767","--","Nucleosides, nucleotides, and analogues","Nucleoside and nucleotide analogues","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Nucleoside and nucleotide analogues","Not available","Nucleoside and nucleotide analogues",128176846.0702619,110703468.3153558,191881743.3551592,205597604.8761608,251448221.1038052,232278321.9907249,224480459.7047635,130675834.3335194,184579253.7753417,149492538.6830577,237835616.8457845,132709762.7942127,97293183.9583314,25420182.0010611,135007199.2486669,231399766.6431106,131013568.8271072,43956940.22394263,202185348.9655449,157277442.0719794,150055903.9158886,219143063.3251034,152784052.6849602,49281176.62053323,140559249.4875365,46865748.44567231,201307463.9430037,104421110.3033649,155180859.8496755,66791308.50769324,55097695.16894478,46512561.9593938,49786530.44390642,53565757.58795202,21057226.45455138,19215828.36539342,59073600.70723684,74863715.73987481,93902208.41225718,35812853.77340172,93731759.81316078,59531512.94819238,74707271.28784631,227872578.96318,182915525.5390728,90840732.72173172,84991393.09872237,89665447.61430624,90014606.00991528,78959437.06050555,42955484.25010405,61385042.52801556,55568528.11314148,139426384.3224723,102594083.1584555,156305561.7175468,45499473.52202716,138722627.064506,151511553.028884,130789846.8453838,126228223.735521,107373688.2041004,114163082.0028352,136367528.7329422,115406601.0892144,95030615.4574968,106452026.500895,139651108.635083,133136836.4040154,126144599.0205061,124534341.4358761]
["Com_484_neg","N-Acetyl-α-D-glucosamine 1-phosphate","N-Acetyl-alpha-D-glucosamine 1-phosphate","C8 H16 N O9 P",301.05525,1.406,300.04785,"cpd:C04501","map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways","--","--","--","--","--","--","--","--","No results","Full match","Full match",{"$nulls":4},186974582.8728696,45112106.30530658,36978637.55988424,38952796.42635644,33074503.34464053,34901344.01538127,30505693.67451507,38673048.40778042,33392528.08288484,109050811.786035,30506785.22189171,36681935.82810181,26698978.6565044,33555724.888156,33569596.12304473,287585481.3048449,34733491.60027512,39653600.1174401,41174052.99001922,39501419.43253544,30345573.1133782,51916642.42300653,42227244.62984884,29367932.51169271,49842736.47501604,28414595.89074953,39174287.09621101,39871392.12792704,31220738.38759082,31351500.42847448,25333409.39086896,36998980.1597385,28375450.01516606,30235380.38758774,22333111.2222787,24327316.54559196,30369340.16284952,134497374.8315328,30980422.80002886,27837668.19946457,27444512.44433124,204989187.2331791,25876750.30949227,319961379.5612134,41758349.3800417,55444057.95318762,33480428.26298266,34159615.45414434,36921012.0756125,144878256.4783012,39929404.38934143,30341045.80252756,42464320.12157006,21676833.5781641,28769935.32992341,40958886.5220495,27885714.19718417,37475507.43958385,15580599.6588883,18551027.53297938,18115298.77823373,21034534.56767718,15533165.33793588,14062458.72323137,14036073.47167151,13573270.69521417,14968636.68767215,16595956.57816825,15841750.01945331,16307128.0697934,15473194.03415443]
["Com_487_neg","FAHFA (20:4/20:3)","--","C40 H64 O4",608.47906,10.136,607.47168,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",105784042.7512001,131742834.940085,101940966.8985083,86590503.8579808,50942118.1705191,120595377.473131,33022154.2258327,70159279.46975152,82675540.43469445,31152114.86028054,60155265.1962724,103918145.4784028,39364697.18404654,140624014.1033862,61883623.43971582,94223363.17271893,54932978.29537428,67392631.73455696,98808190.07642408,113844763.8434103,64915262.91290366,81984636.82767339,24883191.3653342,85307097.08338961,31943999.38285076,83823541.40941933,57639072.13356797,38915487.1807733,55667937.58103096,60000862.17831167,116614767.4171338,102014352.3169473,105097869.1210708,120832039.9616918,130316881.1484234,91129575.7789626,138267009.8969348,137175640.059965,72459778.19055039,66685733.13035485,53110832.36921039,101613556.3935649,134116861.5695401,93946225.05866957,95008531.3606874,113627853.8201452,92240931.41975474,45955058.05326976,91699367.79132336,139119194.5858528,101072876.6491145,96600577.87473278,70241072.64854679,60542241.69296546,70079160.84422317,111991647.5180315,73771991.81081344,66744824.80864029,61061549.4744007,58691656.78557005,144389115.3434523,151610766.043804,119875495.3009716,127349445.3929543,117455353.0372867,115112251.2684689,99685633.281014,98361430.83048238,101104194.5098973,123700533.4423615,112850694.8624684]
["Com_524_neg","N-Glycolylneuraminic acid","--","C11 H19 N O10",325.10022,1.536,324.09296,"--","--","HMDB0000833","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results",{"$nulls":4},60073599.89532179,45979161.02663949,76986912.55196823,44437682.0579157,69581785.5777064,56719675.05131213,72104116.50997281,59792214.50436781,56837716.63424341,34350875.69737352,54916582.09982653,45585457.55702791,37924470.79212104,21357984.90218804,47332319.23884936,46968109.08392479,59990892.0343414,45754364.52881905,52342843.72001917,47618972.2574717,36093105.93075404,64364280.65325323,74471388.45619558,24577204.73385556,63829850.86380961,47390432.77575564,65030869.79381411,60750342.62615028,72768670.78437951,70432837.46245687,27813967.97054005,37066153.28540563,27531103.30950598,36783285.5887005,25565206.36661629,21425918.85226071,22253687.2246476,32505979.76677267,41070171.93823682,31312025.68123068,51646014.87994704,33275648.56926517,38211180.53082469,71548584.22354485,67070066.23809993,44793265.56265796,48946385.6291724,37254279.18995298,36522382.23160042,30068809.17064405,25449968.09205409,39485941.88180184,43070827.89566947,47037885.39121176,36168894.29261921,64588091.66478755,39415151.85616903,67136091.53308879,68728550.4582469,66274861.11459997,66994107.24450978,63786995.16874583,60403716.51782489,72268147.64128241,67598138.00333463,86598102.28161499,65226582.22417183,67594781.86804481,63089052.08881257,71434807.8780028,81431248.58396792]
["Com_537_neg","cis-4-Hydroxy-D-proline","cis-4-Hydroxy-D-proline","C5 H9 N O3",131.05782,1.339,130.0506,"cpd:C03440","map00330  Arginine and proline metabolism","HMDB0060460","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",2449724.170065535,1695627.382583241,1565639.889338057,1223242.553842339,2866594.71559899,1322300.301383952,883767.7591037872,3197498.778121423,2047858.43321636,692049.7612019624,1430463.019553142,1536767.208613303,890521.6856420805,3034843.389059655,1027672.629735365,1919074.543674044,1950545.691270079,1467097.393560022,2617118.227972541,1415501.153100416,1226888.536257909,1611904.762849953,2534522.08678997,2578389.326881243,1716356.08190693,1483852.010277489,863995.8316168947,2157544.262479552,1760733.171119954,1381415.557816165,1501508.826535444,2388413.062089323,1880548.944032454,5899636.201318784,1371760.61407936,6080391.715846151,1313884.596965718,2333985.450734078,4422033.121566538,2210801.990371545,897918.9356555915,1908364.3066588,1182381.384281269,1793808.244854209,3075203.034337615,12134582.72363986,1561224.299112162,1492574.29785929,1337271.084761123,3109640.650802985,4643009.399725841,1846560.279762024,2695123.381957213,3001262.155861365,8280817.381296375,3475850.196292772,1487955.052565087,2266002.819663046,3786530.94499225,4576220.57789123,4075007.303521901,4845875.002937107,5911324.900050984,5855341.170550598,5978118.508340492,6256866.663335421,5039255.990329964,4696400.017246412,6477694.685327617,5431450.518939133,4463758.906864543]
["Com_544_neg","2-Hydroxy-4-methylthiobutanoic acid","--","C5 H10 O3 S",150.03461,5.282,149.02737,"--","--","HMDB0037115","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Thia fatty acids",169447.4512710007,125631.5033893185,110516.6965644738,95766.45529882694,141345.586637895,116683.2955237464,131393.6042765,132220.5109278037,118326.6903269704,74892.45147090472,68555.29122718103,114615.4871706519,88094.72421845996,148271.1900585243,109940.7361682477,137423.0843165295,354906.7144121901,137130.4527495156,148890.9401215836,101062.3650862968,87938.0490537319,173679.8768253733,251927.7435940577,200073.1807624604,115806.6869049274,91425.6369419863,131254.1950380956,379904.1607935246,128044.1878265049,109832.4197967173,164656.8551352512,219968.9571606585,204775.2031353907,314627.0252859065,110378.3543022221,392233.0310257559,215923.4688201092,146950.6308637346,1099114.978653343,220633.138258149,125496.2030290297,155893.6851562731,170373.7089066904,89275.86529520046,215638.4841974925,238256.6052359426,216794.8009391157,250481.0474457453,310270.7242030682,388471.8226987296,1211805.823784146,139313.9171350353,196033.9292638322,2057731.968749377,347414.855954412,245733.4552722725,117889.2746496529,105204.434612273,12525826.9507162,11592127.8593343,12586792.60491246,12308671.91994509,11309534.78862768,11659304.61241982,10501022.84933398,11585462.0589658,11419239.44845673,11616107.87151751,11720642.71098308,10915272.75677859,12019053.51008338]
["Com_549_neg","N-Acetylalanine","--","C5 H9 N O3",131.0579,2.567,130.05067,"--","--","HMDB0255053","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",30060773.29861757,25259004.06093804,19140172.22758673,28606020.28875849,31333947.99413045,41678541.53889801,28639976.73311242,31239036.23002879,29731253.75476057,29773925.37412573,28772274.76065431,32612028.9466367,29004173.61549761,32144825.52799268,35004524.64449237,17147535.69972562,11999302.99057602,36966193.72852366,31677120.5412223,29811617.07052093,25528213.32635112,12759726.95183638,19861771.0342842,26738707.59699005,22179746.49446704,28284462.28075016,25343449.24390858,13674300.32786195,29369746.25387624,19643127.51613803,21553109.12915196,31353565.60251792,25727288.3612511,42256189.5687504,26852088.23829728,49110861.07563376,17781013.12308172,26684099.34715507,38825619.78135385,50711031.68515784,19916077.94575211,17227534.63383407,16039385.90462744,28093312.27815233,15934162.70631293,26057629.41201309,17822647.39104448,50250801.40201644,25855854.94559939,18857856.87392185,25199048.98833645,18966484.90707593,29202329.98310013,27774940.05483136,41632240.47823368,31328981.87901625,29087696.48904907,18151193.70327791,61135977.8162723,60679008.56044988,71823081.19590469,70099895.92057508,67441485.33808497,73625991.27683726,63954023.26283869,62564386.92261381,69380050.77079496,69269044.80150612,67463583.74666265,66105549.51483099,67988723.87923193]
["Com_562_neg","1,3-Dimethyluracil","--","C6 H8 N2 O2",140.05806,1.428,139.05083,"--","--","HMDB0002144","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",3087684.111042303,1923722.574658692,2052188.590254034,2014259.136596112,2135635.803984928,1901865.328581525,2006404.791010907,2795050.114676774,2058172.096639757,2215318.537194566,2064017.198602519,2197144.940249464,2601035.597502674,2014598.869854132,2167696.536837784,1797078.582845848,1501326.037988705,2895882.540596451,2305090.897776685,2460062.379261322,2693304.851658721,1700210.377045395,2782192.465177996,2911022.219933544,2955463.209353457,1871954.339465505,2367440.641671423,4639517.591419418,3244631.984872586,3495403.216402588,2620489.120001844,3338921.767010476,1893455.647956256,2144754.940515347,2034252.058728109,3243442.930670734,2345272.920435055,2961311.602549899,3054953.277450783,3062963.88290443,2098998.204301124,1992900.967945197,1717642.441912917,2202476.348262777,2204990.663095851,2233527.921394148,1868762.391676049,2173410.599571105,1990991.741004972,1949426.050499446,2290279.106481038,1863345.460174423,2008958.827073926,2339802.424425711,2152504.886370969,2018261.844332427,2540022.356597137,1856601.966205498,8243621.79511442,8912486.085018016,7366053.618184598,8687142.866055036,8603532.445436733,8570381.74606983,8251441.218526158,7867770.251814646,7953443.153896661,8735256.604621151,7634740.343691098,7813396.413176635,8252025.911617702]
["Com_566_neg","N-Acetyl-D-galactosamine 4-sulfate","--","C8 H15 N O9 S",301.04609,1.819,300.03876,"--","--","HMDB0000781","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Acylaminosugars",15993002.88249377,26131443.69833619,14942030.61513993,19011110.98972495,13417367.0790571,16304583.82050305,17936596.32442936,16891976.55888926,14514772.62292258,13181899.39020655,14880516.58732465,22752099.57289374,11515303.29784702,18488385.8531492,15198931.9050271,9458556.723379096,9995745.875046194,23713088.44132717,17310926.44411477,15489537.07270394,17762462.2061615,11825029.74073548,22901613.42708956,17148805.2417485,18910974.73338399,25716351.83478572,12220285.36092326,15606080.88320816,10666418.93561272,11346203.07893553,19755688.24002917,19578163.35282388,23185327.21580637,30055821.0133612,19869183.52431102,30694936.60631471,21083320.62822671,12939246.87445418,22502007.53899468,16482994.33553197,15150985.02928926,22969617.14318206,22632006.66516579,30170750.47610324,19100295.49001089,19984595.93394053,16827222.02262507,14627714.64908564,14193984.97151956,20066403.60710534,16242280.09812332,16144705.83298786,30526893.64032188,15577662.42367747,23353604.976649,28488891.65459269,20661957.5247203,13398727.79019661,42174432.9276311,33373916.87714282,35808906.43448856,39965714.12680589,33708677.19636144,37134665.69004919,34433470.93680239,41653636.59039755,38480797.56489288,38735783.86404042,38228738.69492356,34113415.59706625,42075042.73414829]
["Com_568_neg","Methyl-beta-galactopyranoside","--","C7 H14 O6",194.07847,1.439,175.06079,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",4640087.181914773,3056766.69586899,3071257.766458697,3123392.3950549,3306297.599824945,3202278.711931314,3015451.56092371,4200324.820644652,3789128.076782017,3329120.0714262,3102569.091157105,3365724.98051932,3893357.614635745,3092820.471996577,3257555.032553731,2634663.221529356,2273622.93968974,4351853.030851792,2929803.095134072,3244802.490338736,3774463.776790505,2483230.300341351,2804571.476385981,2713007.430028687,2939602.018727439,2841905.107731868,2908153.360995402,2448012.780530231,3123948.979246158,2890058.100400473,3059500.236456181,4180124.890454709,2855239.508075072,3312630.793584246,2943929.103197459,4116893.232549286,3464964.150199855,2782860.105378611,3836917.241045994,3413655.192658521,3361045.793278077,3169982.481686206,2903145.620905771,3441740.592716824,3313599.624871942,3434013.366493558,3247412.220132001,2753649.779786244,3058033.756400099,3262665.485977144,3503402.911909109,2822754.198525757,3348855.296419977,3516191.050426442,4131604.096930645,3171100.823903662,3895640.245111283,2790050.625483128,20119031.6995297,22659438.76438829,22375599.59148395,21283180.70337717,20839694.40917691,19929813.43240982,15966434.41197591,22722650.67256794,18072739.96945956,19971272.58061052,20749178.18214586,18477080.53268659,18670478.00942435]
["Com_579_neg","3-(2-thienyl)-1,2,4-oxadiazole-5-carbohydrazide","--","C7 H6 N4 O2 S",210.01927,1.876,209.01199,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3063654.95594401,2226338.172162334,2292947.596820015,2329427.966879336,2626194.199816104,3153250.527889286,2202452.122912339,2378398.745447859,2479179.013302575,1762568.637947134,2151661.913850102,2354523.95324008,2379583.137452495,2630544.152690988,2170438.486813539,2265389.848624589,2411932.252274572,2918302.226586829,2692226.000898451,2086852.853753255,1982375.898308136,2321175.3378966,2390170.580962857,2160632.859470824,2039999.873636916,2081604.711737297,2333893.23505007,2305022.447844278,4175846.914957565,2445044.097148717,2281221.765726951,4378206.446973819,2318811.04227897,2624532.478730605,2288500.233779681,2686451.415868263,2516512.955838859,2319365.944959066,2733588.284811944,7142520.432819351,1960543.823435785,2198134.510289152,2269438.159703827,2546252.715711902,3371843.897160493,2903790.784668717,3051663.765220024,2395859.509482622,2323056.436963042,2420028.923292203,2674785.098812812,2179241.169478632,2989963.39582719,3388639.232439233,2442987.898592677,3238231.389648052,2641680.632118588,2633736.595569055,24240204.0148676,24567915.99606008,28937961.65843859,27246931.30604226,24064196.0017253,24595356.1801632,23559416.1050014,28312266.55454369,26428304.2755475,23415182.71031364,26584174.36692184,28555172.41080365,23764561.50611955]
["Com_585_neg","Reduced glutathione","Glutathione; 5-L-Glutamyl-L-cysteinylglycine; N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine; gamma-L-Glutamyl-L-cysteinyl-glycine; GSH; Reduced glutathione","C10 H17 N3 O6 S",307.08293,2.329,306.07565,"cpd:C00051","map00270  Cysteine and methionine metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04216  Ferroptosis;map04918  Thyroid hormone synthesis;map04976  Bile secretion","HMDB0000125","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",141165658.8819678,74823521.39081945,145446847.2363645,64027698.89063571,157540751.0874659,183895588.9979753,92613921.23477054,113808919.3780803,65540941.04351517,181613183.4002546,151973455.1316714,58160685.77963227,173716275.5074714,102588787.5522026,109176149.6018534,74168971.86878918,37794169.40377045,147559885.0895597,31274638.01201196,100648866.4582987,148033346.2996795,64765756.42064558,84844020.8529566,72547435.1995057,74842285.4733935,72756380.82278211,117219881.5050184,13121892.37595666,92539635.1859124,39223952.23148184,58321431.19614387,78144456.52796786,39497352.7874446,44405447.60392731,50486971.67658563,49210468.92156411,18916131.2660747,18241281.54491651,93512061.07912822,49087904.57873431,45891026.34469809,109634624.9012354,44532739.36887155,106802842.1042689,98054091.1602486,111739436.4915559,99178366.14938782,41545469.67747292,59701462.25677402,45220141.84316924,53158795.25446761,63960535.72175159,115127207.3141005,93687579.05193208,123632128.7406806,40374308.14892139,107676360.7931139,57291650.4034285,8760968.35774438,7888584.99870873,9091661.493112613,11055432.13551655,12875769.50298925,10360126.12307514,11492331.87827173,10912033.43199932,10299825.85117582,10624641.13444166,10124332.0262064,9856120.658482663,10764737.2137786]
["Com_597_neg","Maleic acid","Maleic acid; Maleate; cis-Butenedioic acid","C4 H4 O4",116.01062,1.465,115.0033,"cpd:C01384","map00350  Tyrosine metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism","HMDB0000176","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",114247989.4284498,113484792.3227306,90840117.36954702,49969831.43525891,88014137.73279451,76685484.92405555,67017162.44589923,68288275.0726569,80752597.17160031,78309338.08888695,91146424.1257422,116152951.6762319,64135728.81215008,110506727.8286234,84945258.79933771,61538304.53602646,51267786.36391569,71800957.61860436,112220528.2493497,63020267.18139949,68586521.79543269,86992004.39070915,90162643.13260236,78199058.43171333,57927791.42315471,90820942.84151304,61694648.93901608,35064165.59749222,55339803.78321942,44701417.92255153,91162875.32063276,106612210.7029907,124069191.7488358,73093220.91122198,183170406.0096461,73320775.21920417,74928280.40246257,85191270.06011416,58643439.03251191,58871117.5542148,62894446.79646324,99700225.06368984,80577535.71811616,85552314.42041963,53006112.30818014,151608176.385528,75331258.05830707,83989970.10701314,131760516.2764245,138860596.1979293,217132162.0319741,118674014.5281156,160462305.8976831,174506214.601293,175676854.6811827,59793229.68425383,100020049.5217263,84835858.239868,106086494.762729,127445709.427535,108672971.5359741,98525584.8683014,79159324.63852121,73116583.95763417,63826173.02528442,68084047.96138468,71999294.77886331,108847963.6048315,82976661.437047,107432159.8940917,110200754.6828658]
["Com_607_neg","Dodecanedioic acid","Dodecanedioic acid","C12 H22 O4",230.15115,6.51,229.14384,"cpd:C02678","--","HMDB0000623","LMFA01170009","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",3068962.120211528,2500065.202147926,5167098.69764774,4201662.933921837,1495226.060342632,2798083.731429258,2129428.327209,1111898.90545784,4237011.460562745,2034119.042397208,1797862.290277874,1749340.691860601,1301266.793199049,4583050.281867409,1718709.43628243,3650144.146791869,2826560.378127006,1925839.202224407,4767108.890510728,5035509.039253418,8156073.433558839,5436929.363782358,1614375.666561991,3640424.867980282,2916207.579885867,1673947.233536166,2201925.401732896,4696749.996200662,1972133.390251022,2368276.087921684,3978070.39706133,3302037.948508406,5597013.057567846,5635962.526819834,8090149.698500306,3444340.836647189,2433208.046423092,2388300.878683221,2619897.212773156,3600154.291042954,2502853.116709787,3776445.227070974,4723036.309925635,1988863.233494897,4247183.073635322,2375601.335095484,7214527.559684607,6909857.812187826,5407557.16537056,7971776.667527533,8992094.676522851,3656103.149642064,4611846.143997435,1385990.402623461,2471701.552706042,7292089.941251674,10247968.80999004,2616603.395126151,33692882.2776309,37735127.80677132,32862983.7476862,13312874.78694332,18306535.93351354,34919261.53028589,32328688.59602376,31717088.85201277,25002690.60562008,26856454.51762867,15284769.39695397,30893586.20236715,26750506.37252109]
["Com_610_neg","Corchorifatty acid F","--","C18 H32 O5",328.22442,6.339,327.21683,"--","--","HMDB0035919","--","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",1926169.763025683,2918176.626397619,2217162.502286407,2734580.958731563,3560385.812332144,2383862.204829082,2655970.35851723,2175618.850049486,1884170.893017708,1485729.216541079,1767117.648319466,1811886.855807272,1066064.674635463,2490016.151299622,2134843.147564441,1666640.278262268,1498762.745871586,1613705.781565072,2242092.6056295,2377130.499282527,7553277.415936723,1663830.884496654,3219222.428562589,2166908.995681753,1157599.181871616,1796471.847932375,2431706.289693299,989054.3834165096,2273190.283931289,1631201.80391396,2804470.552989322,3516172.6570819,3753901.831924122,3253318.657577133,3041767.403261959,3421092.294203328,2610371.20711046,2838234.373991072,1568131.350469327,2362174.01171507,2091283.482512633,2427105.963697163,2033050.991635231,2327860.486344114,1765961.658977248,2679575.953473913,2576440.683019572,1766895.152866861,1999018.575000585,2858709.988698255,2334951.428171578,1891841.508502008,1370788.534771335,2107580.321151066,3267471.492882863,3847835.34889442,2272370.611687968,1950236.811513593,15667715.5623479,20457560.83968532,19302591.20984824,18876503.08880021,17637270.22662943,21494000.18626625,13434507.89068337,14729498.9162633,10617903.09125261,17220993.57441295,16411899.34737512,19023020.8787996,15231192.98774072]
["Com_630_neg","Gamma-Caprolactone","--","C6 H10 O2",114.06763,5.541,113.06046,"--","--","HMDB0003843","LMFA07040010","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Fatty Acyls [FA]","Fatty esters [FA07]","Lactones [FA0704]","No results","No results","Full match","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Gamma butyrolactones",10577941.22933736,12666250.78903133,11297165.14253004,8622707.690413503,7250846.608637152,12412614.16688459,8464638.310554095,6050888.171161056,14246456.76438054,10013328.11052776,9098525.7427563,8025779.085209141,6391164.170706102,14302227.52206926,14078969.41325832,12726952.64144806,11360906.85978776,12461746.07655488,8177096.852527724,17256688.6983269,13650881.20312847,7518849.558799065,8162043.48146719,10745617.02238091,9206614.706063429,16653781.85824839,12226204.96355888,19064501.79413772,12551756.61048517,11225574.07370231,26563605.18870414,23853994.37010769,14038849.252994,19785990.63545518,21536589.55855966,26738838.50228084,16919497.71106267,20724052.15383881,44914719.74872492,23851882.01553413,10665684.61029602,22303806.64297806,8434108.424226977,11092655.36884351,20830827.1459056,14449795.64002585,12294185.17828911,34302425.15573084,13135676.67128523,12179609.37745531,9699445.191700546,10615642.69943383,40763172.97044538,11443855.66571371,23129864.14845443,15443005.75933802,19965221.03423877,11682000.73413124,50031611.794729,51455919.9069187,50721874.38668068,56925222.80200037,55327885.18675099,55674043.95728129,49906119.82117962,53447009.22157805,51626913.2031432,51872141.51732625,50353627.61105887,52571575.93340534,51755038.55663218]
["Com_642_neg","Citrulline","L-Citrulline; 2-Amino-5-ureidovaleric acid; Citrulline","C6 H13 N3 O3",175.09506,1.385,174.08769,"cpd:C00327","map00220  Arginine biosynthesis;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0000904","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",3971203.633680157,2707189.201282439,3855863.507745711,3182971.163751815,2766718.818513623,3153444.917699491,2470050.601806696,2789834.17631074,4998857.949144765,1603005.79159418,2821469.587182571,5043665.306795531,3116717.321623936,3907629.027158738,3842814.70603428,6317797.763564765,7235638.146733678,5000045.984138843,3880635.618436593,5991576.569834704,3035882.366910959,3203981.481944247,3426353.406392671,4600229.162201462,2547299.523463266,4472364.873960491,2043413.301234948,6526624.348544095,2945807.381413774,2592001.524861678,3372388.259068535,4978884.277392959,3388477.173938651,4248680.121943986,5945371.326633224,13680242.34365138,9107863.784539206,2042546.99123403,2237764.949252903,3336591.274750239,2654239.5390131,11673140.42969881,4383336.164504226,2216140.382591362,4519147.542251574,7502903.952196834,6766282.907361577,2165067.325392488,3968003.428612787,10359242.66669754,7369885.474457916,6032125.839255005,9039198.72486658,6939366.479392765,6593539.422294377,5122378.446938177,4834217.535994683,5711300.526772111,19897451.4708053,19331740.08147793,19264266.21303402,16641422.91163526,15797368.12161507,16117701.58852705,14739282.72006225,16563797.72383881,15553084.9500014,15035163.24537213,15364570.56095024,15465090.66525121,17103189.72233263]
["Com_644_neg","Maltotriose","Maltotriose; Amylotriose","C18 H32 O16",504.1685,1.417,503.16165,"cpd:C01835","map02010  ABC transporters;map04973  Carbohydrate digestion and absorption","HMDB0001262","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Oligosaccharides",5149765.234567123,2545423.361607735,4387158.165088632,4999447.564051729,7446287.046854134,2487622.597247045,5752971.68646488,12040827.07705131,3947751.373671733,162969795.2690201,25431324.61379445,8570520.929002406,100279567.647474,5321471.259180795,8553812.21945652,2878841.79636817,2864066.254203173,11822121.91084834,8477128.42510934,3346151.595848734,11202489.45876683,2834199.281267656,3741324.671643295,2327719.909587108,4864802.81237825,5211726.883540246,6513621.343961928,2099301.025092568,5601942.658248846,5146359.094779524,2924941.15288877,3306676.195015782,2533368.880778292,2786154.64976283,2277404.260325588,2820609.76619344,3300282.447026646,2422160.008204151,3565310.827467514,3275360.156562824,21687821.93639335,3489594.729335776,2681476.599564726,3776633.055171875,4676086.402268614,2943927.443470668,2444324.256063911,1995469.912180894,2622384.558392008,2947071.677698033,5035594.339838834,2431367.237527517,2581675.528204712,4035862.371109597,2792335.160120142,3109530.765990967,4329444.98028234,2802759.183874744,8465431.37278595,9249858.38990057,8284491.683276088,15147026.68309396,12530307.40472286,12389678.10568721,8819793.262374042,9880718.969172172,11689341.85578421,10885569.23273122,8837664.396757353,7156302.981720489,12305413.86849617]
["Com_675_neg","L-Serine","L-Serine; L-2-Amino-3-hydroxypropionic acid; L-3-Hydroxy-alanine; Serine","C3 H7 N O3",105.04219,1.359,104.03507,"cpd:C00065","map00260  Glycine, serine and threonine metabolism;map00270  Cysteine and methionine metabolism;map00600  Sphingolipid metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map00920  Sulfur metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids;map02010  ABC transporters;map04071  Sphingolipid signaling pathway;map04974  Protein digestion and absorption","HMDB0000187","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Serine and derivatives",58047432.59989771,87793850.69786243,81828030.27568607,92464515.3969817,86474705.1107377,116365187.0410809,72267521.8731238,111435508.3273432,116704348.8621846,37744356.8389727,58860185.3770049,95678031.13581675,47500188.34175871,119599493.8901358,91684996.6367622,75458995.46813644,65063465.49171501,49109821.15323947,104234544.7142941,82604202.43647633,64074693.49831554,61909219.33158785,58575257.80272584,79631815.38386522,70364423.20184366,135809591.0703046,73404633.10892354,60011616.31130506,95601348.2903138,77643094.64442773,62859327.18816824,128708513.8225503,56119772.56014335,129126211.6020683,100602069.7852273,180513429.5242836,82506436.34923145,91003279.98660886,33992053.97641002,90321884.85138918,50865090.43222794,84212726.27834034,100525757.5352552,72139627.35213353,76379858.9154705,103952069.4593703,118292057.5874606,97336258.21893814,71740379.93713577,89219121.30082291,71329588.70343123,132998487.9493595,151030090.2599383,167104908.9403539,141739163.9403654,96377539.47785106,61990039.06352512,134629193.5026096,67598957.2835008,77409553.0597913,80719648.65747152,96938373.98675004,83008347.21469891,92768034.5269202,89640197.05289337,97422406.600097,84439352.87668553,90600348.80996116,89504254.1903546,83748494.58755948,79317710.77484089]
["Com_684_neg","Ethylmalonic acid","--","C5 H8 O4",132.04171,5.051,131.03456,"--","--","HMDB0000622","LMFA01170105","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Branched fatty acids",16277644.90012508,23063304.73265235,16233156.20707816,16299019.9936011,15974421.05581327,17263488.57293847,12195237.25418299,8564902.69561936,15538838.91741606,15473047.27092564,11651978.60337898,17952694.78622651,12230190.83847967,19987740.00080701,14593944.79973109,21644405.88447752,32631576.73852067,19040149.18101317,8223272.403528794,15895502.43009302,14108616.87161904,17795514.86731451,10530480.87923439,25122779.99857252,18996466.44231986,33232967.68875026,19349752.76289948,18962495.48194198,17159623.81664384,27743905.47250711,92216025.65128748,99271266.12681788,48425420.45763844,36266394.14850947,76565262.10155487,51819420.67787154,123562924.9468593,31418028.86903834,206347452.8439397,22183621.89158761,20303368.646399,53176085.25800051,71562459.70262976,23267144.67555612,84991817.73168923,39511285.13436621,39325143.30041848,134546573.9961979,44585877.12630321,15330545.48115066,21901093.37017488,25616865.52069842,142237795.2935877,31497286.46494559,127013365.9975029,18300188.80408491,28168296.87823975,53133336.05991708,30023064.061014,28587521.24827735,31978514.92266924,30948977.29397677,31955427.74516329,32076157.99393351,30015524.08500244,32717641.34702745,28526835.8785239,31056998.649073,30833549.47262551,33683166.47093453,32261068.52339348]
["Com_685_neg","methadone-d9","--","C21 H18 [2]H9 N O",317.95453,1.268,316.94736,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},23738597.10160314,3783105.360497599,4123806.599117748,9954286.944102002,4920889.542683463,4835455.411504417,2758694.450824961,4831089.384721572,3790654.639436645,3078080.840934154,2295828.83390713,7547293.741831274,3092897.725474261,8895402.68878431,4867296.052365059,18480110.14786356,6691320.829149451,5504895.050855888,5711780.219425111,7007068.663936675,4245140.94490142,4082017.846047418,14094571.58346222,13186355.99782571,6332230.068785914,6708543.122559638,2936144.190456019,2508085.184413418,10259749.36579055,8315978.977326552,11489838.96353663,15157950.50179952,12343368.39990366,20726294.66557022,24907020.87576447,67280833.5010493,8535779.585748699,6065731.160472562,12250651.03793205,5818600.489763667,17056277.26378474,11542562.43078515,21690865.53670242,4118434.502483877,6049026.332353931,22848013.16682541,15617386.61124827,11103451.48007637,16331098.20829778,27972255.84497353,39353140.84627319,39399637.29763914,20938510.46665946,29654954.77230576,33343276.68458882,48562150.38304862,19284141.13281356,8794214.347865688,23467389.4765272,20332703.2395052,25273430.2394922,25435890.14397765,26225571.57349102,23590905.25739689,24558627.97057877,27702321.30693033,25573931.76787887,25840811.23604857,24594494.47473947,25717185.01071621,24684049.13536622]
["Com_691_neg","DL-4-Hydroxyphenyllactic acid","--","C9 H10 O4",182.05741,5.234,181.05029,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",78517756.654181,16851625.23504359,33484111.83590014,51048025.77638,27558433.5638486,39352520.09211452,29104543.93863152,42422975.90692268,21932699.45715006,73182699.6174968,61697797.97836753,55217928.10656695,138782616.6953125,35826669.10120777,27626804.92335962,34395954.01055952,98976142.5428471,87850379.61168428,53885275.0703254,27490134.0658209,54718607.38267325,49018430.2049599,38277026.17129657,38866394.95137299,26245020.16852563,23701298.23422916,32100792.54137599,114890794.8109401,38396418.26241527,38370114.93394005,58541048.13434449,52493599.8409304,83844690.37423833,111495660.7194353,51162475.09938505,128755591.9717919,72612418.08917108,38043452.54976677,67446695.06174502,46446356.76668164,50202637.40699995,93501756.07047322,74949659.75548626,51136193.20867544,42619668.14679579,90250070.16392349,42986180.49405316,52053376.36100565,108171441.050203,156169303.533111,99427976.92028365,57434872.1682585,103179534.1616432,58345923.76304496,74355366.05437846,60611415.31720327,73672800.21617547,32221488.4175393,63613747.5950474,64686061.49479277,66336101.71821882,68755719.46842964,57060670.81676462,55772916.06894014,55674013.0052682,59450028.41211423,55245751.38296688,59313170.20452449,55932645.90241671,65210938.44094902,61924885.68396416]
["Com_694_neg","3-[(Carboxycarbonyl)amino]-L-alanine","--","C5 H8 N2 O5",175.96285,1.212,174.9557,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results",{"$nulls":4},1476782.71931607,1403085.095770553,1230885.669001754,832631.7577916168,799183.4885772533,771755.1633709925,750841.1841131999,664736.494394394,1000957.896734162,498168.221027402,569970.5384893742,871339.6621944027,381579.4286665189,1229474.081241392,781355.1344602179,1207106.10016944,1190657.132842098,657704.9288176857,1342320.849182735,1626619.229907042,449859.9310689256,1811193.463659326,1680563.624402486,1580499.152267774,1327793.190659586,755417.520545525,550265.5110314102,1128537.626006104,619191.1336816846,1437880.547943651,1243451.152237071,2147383.741942951,1523703.098720675,1042239.36676118,2014655.750249893,1110186.969513926,1663969.675845664,969823.280214941,949241.9360971296,1902702.696382471,558552.7243915682,1432235.538485445,1337335.275737084,1364579.48057101,2122954.671342711,1582663.009110238,2220612.417636783,1601198.465232078,1415015.346996958,1781893.330808684,1546176.142869396,1289520.455529043,1828743.456913123,1678771.800801094,1189106.636758116,1784112.143423437,659942.4275387804,1775939.450703822,13512490.9273521,10965485.09247464,12453528.10981708,12433669.42571974,10847449.14596659,10204714.55932832,10257173.91584647,10042155.52275737,6813090.912035761,7372699.156581982,6019681.64900233,5849820.353379274,4929273.637615248]
["Com_702_neg","o-Toluic Acid","o-Toluate; o-Methylbenzoate; o-Toluic Acid; 2-Methylbenzoic acid","C8 H8 O2",136.0518,5.232,135.04445,"cpd:C07215","map01100  Metabolic pathways","HMDB0002340","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},77249736.05076528,16293231.18324881,29666222.87477935,50268208.22554267,26937392.09190793,38551529.71197862,26233460.64397307,41587800.9463997,21482734.68183281,71538881.45937575,60624799.19048271,54363463.70848404,138052602.395368,35496275.58561996,27147775.42610584,33462889.97183784,97645095.6702078,86719420.16463697,53173306.52126216,26930340.59647488,53894745.65702847,48440803.53509972,37910312.72020422,38358746.8172792,25699091.91159275,23209622.25617703,31480164.86046159,112482018.6673288,38098889.8403911,37847325.82305058,57423497.41599982,51712817.50428426,82470526.10075726,109589126.8416692,50427981.5600061,126815264.3476973,71477123.0268613,37379520.80523392,65792303.20022897,45840409.48383682,49229308.69817098,92068420.1231386,74210266.2476777,50364503.97709364,42076338.75223198,88829846.48968938,41903970.69789737,51500566.43178649,107084207.7401174,154493353.3156945,97733507.03879564,56709725.86169765,101911331.3384769,57403033.28439718,73582032.08519448,59612049.65978137,72951811.32588199,31721506.41618696,55025711.2528622,55685270.76810374,56970054.08931363,57537060.82303183,49399974.96640471,47267764.32061064,47410170.85880521,51011861.13347733,46539995.80426887,50442796.99541606,46882297.57161506,54877355.27510577,51640037.1389904]
["Com_755_neg","2-Isopropylmalate","--","C7 H12 O5",176.06796,1.453,175.06065,"--","--","HMDB0000402","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",2810840.035525452,1851707.063069399,1738204.265276947,1869719.103182479,2002866.174405507,1939854.32935185,1826679.465348835,3356709.791672224,1834419.156920182,8367245.471130396,4083285.907747169,1959177.049623344,5890058.752407817,1873547.471104468,2153387.793996872,1596008.129344059,1425784.326067519,2636235.537883406,1950244.952439361,1931447.119383812,2130799.938523858,1514925.168142245,1701311.520090303,1643466.944053356,1780731.852400413,1704113.507993871,1859200.583736391,1563367.941382108,1892404.283701504,1749446.012801979,1853362.968447897,2532207.248471983,1729627.312088465,1971836.636579198,1783353.083810213,2199096.331649393,1793351.421995007,1801823.361145781,2310383.604729145,2067900.517128724,2675935.18022167,1814215.970961752,1602728.642100547,2084913.897223246,2007289.544815978,2174488.356252432,1836889.195247141,1518653.101778622,1850448.322807425,1827103.852627309,2114907.438914055,1709948.58514481,1881919.356229284,2130013.982413242,1959509.682236656,1950181.156338794,2311990.683264612,1733810.76041143,10808635.1274006,10866856.42318856,11504200.35060688,11055544.41151548,12766089.3740795,15811216.49704914,9864584.553239867,14423104.66880269,11704829.74581967,11284910.62509761,13718312.36483939,9863201.069241816,13631691.88987887]
["Com_758_neg","N-Acetyl-D-alloisoleucine","--","C8 H15 N O3",173.10469,5.579,172.09737,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",1335966.057154879,758503.2278979531,503108.5796153747,715690.2541187282,659491.2085757105,1531779.922093145,481742.3690541565,4568869.988235185,1047586.037419937,477564.5662189609,605306.9960095121,586073.8457167067,584241.5019285374,1695780.22047176,702901.7175504146,673509.9509810616,863095.2134246468,1373513.6915256,580444.0202838032,1162158.888960734,603023.9515377461,793483.1638860882,597967.1791710992,955176.763374932,685125.9829094758,993392.3612714738,661459.8018597119,920225.4601770686,911966.0883987052,655169.5603136028,528648.8140414017,807713.7598160112,904080.535066426,1536581.26529919,825948.0022445752,2400229.638697884,583579.2850103071,574428.7030728959,1795103.015728101,1414438.314036983,733665.6449328933,519080.7420252741,615445.7957426357,719480.0966889433,773738.3880567703,682814.2153025098,456228.3559684661,657703.346093136,702964.5390270555,662997.4044895357,557784.5585153821,730814.5434396937,2089258.058911775,1135601.437405887,1226729.791131363,2392363.744258518,672365.9237641038,639575.0049300111,5390481.77141675,6837227.228596755,4617388.463534625,6203544.834571264,6021154.0278016,5199213.954475524,6321345.826620343,8099485.941172972,6156666.816071476,6335710.773143433,5839550.79976333,6231671.688663739,6004247.498284524]
["Com_759_neg","2-(acetylamino)-4-(methylthio)butanoic acid","--","C7 H13 N O3 S",191.06119,5.33,190.05394,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},4102050.277076772,7006954.456479239,4631162.830168664,2771338.363217036,7207453.489714049,8365613.923895341,7052081.322798936,7246075.919255182,3728660.84015215,16995030.4426786,4447188.447315108,6984521.992739924,2298179.844658819,6201770.755219538,5941133.786729218,2687792.247177005,1530316.797272105,9433875.510357128,5346918.936010207,9973205.575525338,5348093.929223754,2833874.482736348,2880468.197394,7384956.488039781,4059648.060711655,5010601.080710463,6826854.968015588,2119987.475344886,4776081.98668786,1410882.281353966,6506091.881036825,8145417.771172722,8065181.226602291,12112102.65480309,5169106.581193436,9992536.756851211,3342674.608244241,6346279.864718375,6255814.017787946,9489020.96665416,3292886.96879242,2576121.252867982,3785735.62089028,6222118.248415241,2084306.233884745,2607248.326876329,2732175.115955206,1439226.402645058,7149099.816281328,3395879.276582124,3327059.815918535,6136756.527766765,5689970.19900955,2952133.509276292,4827392.423626881,5927004.7537975,3965252.769907977,2453352.732067989,17185575.6900081,18633873.53812472,18750235.59083843,19029252.71746683,17290215.84352056,16954268.69455925,15674602.0185132,15691374.44804994,13741665.06589673,16206633.00064203,15986928.65662769,14684455.87213481,15334240.73386079]
["Com_770_neg","2-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol","--","C9 H8 N4 O",188.06809,5.319,187.06084,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},4101489.121631237,8357153.949382647,5077370.024316045,2920106.415407372,7605960.442703398,8864613.139836023,7108018.774871371,6892017.927187026,4334092.213697122,17076823.76062634,4359057.654041318,6805820.000511121,2519666.724553746,6667280.756658326,6928625.450646552,2864717.353177965,1518038.321141397,9251495.408793911,4811816.816700519,10090672.75559856,5447840.729097628,2896641.719847104,3160759.742247353,6936727.729148651,3922322.09144683,4475964.556066622,6732917.731642756,2562988.957005346,5038073.047970043,1461300.139000399,5780562.652935214,7969354.040526517,8492729.202705508,11892107.89385529,5315331.972201589,10173142.11063799,3175118.545679161,5821043.993389929,6341790.874577116,9342057.712131703,3173539.372489099,3006830.550608059,3702448.957802553,6046318.848683123,1830720.287492655,2534169.877931501,2624790.888485581,1988254.38406225,7560084.194741593,3498767.748991549,3279106.186318842,6062431.433215685,5315092.861534808,2836943.257302504,4528426.425069613,6104913.083288281,3830223.258872158,2463475.964186257,17022951.8485285,16957012.92954575,18442664.97083934,18210974.37013368,16337104.40715701,17783913.79418314,17750465.96108547,17824222.63684074,13098811.06074227,15561381.81130003,14587043.87507818,14103609.63497099,17526751.8914429]
["Com_789_neg","Succinic semialdehyde","Succinate semialdehyde; Succinic semialdehyde; 4-Oxobutanoate","C4 H6 O3",102.03123,1.863,101.02395,"cpd:C00232","map00250  Alanine, aspartate and glutamate metabolism;map00350  Tyrosine metabolism;map00650  Butanoate metabolism;map00750  Vitamin B6 metabolism;map00760  Nicotinate and nicotinamide metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism","HMDB0001259","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Straight chain fatty acids",63054447.41665206,45562022.10737485,46267029.10190865,50394220.07049233,72014935.36331579,43859254.54617346,70041015.71959086,64761317.70337337,42098087.73384161,124719168.993731,64568841.59240174,54555242.111155,118372809.9431839,41704007.25772047,67062099.5639252,36310959.58489814,39965167.89676204,67933845.83809264,47992788.41240142,34094339.53368068,101204584.7739049,35492793.32082114,55630314.62733644,32604643.94775992,39614023.95172477,53546185.10920882,64835279.98809548,27337032.43305549,56855106.59942799,41166947.70722611,51776014.39461862,43513594.16312977,42386703.78313866,63015025.64816567,46368335.41074123,75774441.9648139,46104464.36959535,46472450.56789749,59614664.27069346,58740742.97901842,71040088.91813366,50073701.77995727,46918580.95966905,59027623.955235,47870379.13539747,54604389.34672643,48412222.15855783,59287842.80145425,49129372.12556403,52922166.60422561,63298394.30378766,39341614.31172043,46340466.98694176,59459322.24954212,76352613.773086,42698182.94192795,81872461.56649622,44494403.41708153,64304236.9116974,66482737.9845508,56531381.09758644,57258550.56269664,54925736.65691513,50201506.66520219,54433579.85534768,52100018.96781283,51385818.16574309,53552901.8836073,51151095.72220822,52703271.29695725,56931251.4677871]
["Com_793_neg","4-Methylumbelliferyl glucuronide","4-Methylumbelliferone glucuronide; 4-Methylumbelliferyl glucuronide","C16 H16 O9",352.07604,1.411,351.06885,"cpd:C11584","--","HMDB0240464","--","Phenylpropanoids and polyketides","Coumarins and derivatives","Coumarin glycosides","--","--","--","No results","Invalid mass","No results","Phenylpropanoids and polyketides","Coumarins and derivatives","Coumarin glycosides","Coumarin glycosides",70043189.98965654,43140385.84940472,65001623.32590143,78269607.29342802,100422660.7931841,35156144.68644392,66215545.44647946,83895312.88908504,35384598.52676478,51941543.12072412,95096473.19952008,63807565.01457237,93909261.23898438,14145924.44864916,62169916.55943111,42041622.30126585,46356713.1174501,54461324.78075333,48650006.44615106,29496625.88127431,68395953.89147818,48988825.24086716,31532405.99262652,8965091.930836149,66183635.29409235,49566959.87923096,85242341.44785115,22445259.95198439,144682161.7848028,56286357.11764961,11624420.97949437,12047660.47784222,22963724.69174833,8742926.496924954,20027239.23612224,15728570.59180936,22133740.06146533,15532795.21085772,28610706.69166261,12545363.23590137,48322021.69094964,21476923.82391579,31271652.91629172,52543845.15026718,68879006.53942889,15393595.05925747,34980509.68798427,26018816.02079789,18475702.7166135,9812886.351213286,20694638.84882833,10111554.41539414,12134660.33590949,32047518.6977503,16112070.09455707,14547190.03890917,68445195.71402739,57891152.35362009,18400204.038481,16664893.6516568,17347549.34443571,4412153.369749778,18147062.93477372,15474897.13498035,13192278.95670541,16813797.79433328,14724556.53456097,16786645.25738856,13053844.02955611,17298941.31093849,16436151.59298007]
["Com_800_neg","Pimelic acid","Pimelate; Pimelic acid; Heptanedioic acid; 6-Carboxyhexanoate","C7 H12 O4",160.07302,5.485,159.06586,"cpd:C02656","map00780  Biotin metabolism;map01100  Metabolic pathways","HMDB0000857","LMFA01170051","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",8240536.30692425,6563953.790954041,10000361.53902819,7130174.672263412,6417065.784278985,9271924.853933576,6886641.039744304,4011965.968730779,10558418.39604182,5489230.458160856,6131779.175233136,4646628.397269503,5500076.786267024,10233353.46428218,9655379.083062973,11638253.43905489,8771837.986375524,7394521.182248135,4779705.520853463,11561742.72408134,8153137.311420874,6178320.149465245,5252228.428586558,8359619.242784719,7253223.95858346,10637177.94224305,8267969.170382728,10498197.05073102,6137922.976777419,6101415.802461642,19581285.60210093,17418419.82231818,8994592.804219628,12471462.58031191,15085593.07805473,15919725.29678092,14466615.30332672,13558403.86864188,35233289.20123445,12311021.79972667,6867603.437136095,18087790.37090012,16824798.44854365,9753095.446157962,9947489.104711013,12939828.85367826,9888147.01926854,32310987.11559519,9391747.544631224,10522278.38138919,7711459.06774273,7137118.019456936,36547383.01209033,10319109.12064587,21082532.88337769,11512222.45260332,12487013.2053589,5631549.290456227,15050720.1726302,14270624.37293683,13875890.78793296,16872272.75615996,16020097.74788116,14786574.96787823,14716514.5238972,14438152.26104824,15261530.95117981,15485071.72977485,15426148.83583366,15470377.68251567,14853620.76958949]
["Com_809_neg","4-Aminobutyric acid","4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; gamma-Aminobutyric acid; GABA","C4 H9 N O2",103.06296,1.392,102.0556,"cpd:C00334","map00250  Alanine, aspartate and glutamate metabolism;map00330  Arginine and proline metabolism;map00410  beta-Alanine metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism;map01100  Metabolic pathways;map04024  cAMP signaling pathway;map04080  Neuroactive ligand-receptor interaction;map04721  Synaptic vesicle cycle;map04723  Retrograde endocannabinoid signaling;map04727  GABAergic synapse;map04742  Taste transduction;map04915  Estrogen signaling pathway;map05032  Morphine addiction;map05033  Nicotine addiction","HMDB0000112","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Gamma amino acids and derivatives",95010134.40603948,118506424.5538155,101739655.9400494,101582181.4824474,88916400.66994183,112915257.5260899,71033168.36535464,152210651.6564789,152334924.6891402,34581163.40075547,61555743.83341476,88823344.59128965,51217948.95317599,138509312.911947,103001314.3598188,85712877.19035362,66926921.11821408,95284992.7472582,129767791.5638566,104742966.226671,55952562.64892623,72569457.2644962,53236462.90371148,83112917.1184405,117215731.9897517,97127911.59132396,82320787.60783482,77685644.76666054,94930880.8617723,105140678.9982087,85962936.43658285,140613983.6658717,66925746.80241014,153287869.7927609,102872940.584586,191652259.7683353,97784977.2052092,84350215.44954003,72340482.00463967,108064259.3141046,45255044.43909051,88593573.50245647,116058345.6335382,94445869.00306244,106979007.1254154,124604681.1304653,146508011.9778945,123090580.0976334,85863953.54285137,116530571.0185694,86815087.89391103,137418297.3429352,167435188.3577869,166759652.3058134,147367294.2859108,103318657.8370774,62091474.99868966,123766355.765844,75544561.0971785,85735215.7995343,87292777.12436363,79006089.77322598,90175491.96329184,96829367.4363534,96392940.75092795,99322174.37623905,93749122.96938562,94030513.71424416,71984328.50794743,87567671.06154281,83002112.35271515]
["Com_838_neg","N-Acetyl-L-aspartic acid","N-Acetyl-L-aspartate; N-Acetyl-L-aspartic acid","C6 H9 N O5",175.04742,2.07,174.04015,"cpd:C01042","map00250  Alanine, aspartate and glutamate metabolism;map01100  Metabolic pathways","HMDB0000812","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",9141069.745266631,20645681.8141011,15893137.55161819,6373039.410190448,14124549.65177863,10186431.06094639,6835963.453813769,6701548.809857568,12776718.34796165,5523665.806583787,5641162.652207375,24710345.5382559,5633533.450689195,12732278.62382997,9869918.445282776,17111369.49461605,24293854.17664646,9212250.416183706,11252591.5988459,9866383.839335106,7877808.724402441,7215931.213061335,8907428.8955975,10879374.11194958,6096221.978200934,9626625.171617985,7096326.174667299,9919702.365993904,6162502.839239039,6015363.572529195,9321684.763276016,10483473.26711994,10323860.90573809,20261678.93052448,100050560.4508553,18779209.87006849,15009404.06914249,16362042.75137152,126491155.5647632,12482330.6923891,3571821.226619918,9848530.69925987,16679118.30949487,5173899.972840069,13218098.85493095,37419184.34147578,40712425.70835315,89275661.22782193,7825044.643542413,11426084.88509791,14952042.33747061,15996271.8069325,180372327.2368717,9978222.736403238,19608570.58005593,12764902.8083044,13773154.34316238,26632714.61783701,45743169.9107483,64645979.73371627,71783444.80630946,66132600.73215706,67942214.79678196,56536457.41370592,71213586.99225906,62897802.57974541,56594667.11246909,58434589.35209359,56315629.96531366,53833312.28022758,52454169.39364333]
["Com_867_neg","Raffinose","Raffinose; Melitose; Melitriose; Gossypose; 6G-alpha-D-galactosylsucrose","C18 H32 O16",550.17313,1.438,549.16547,"cpd:C00492","map00052  Galactose metabolism;map02010  ABC transporters","HMDB0003213","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Oligosaccharides",1451483.573450975,956198.9835490432,1370842.065022729,1293832.296274647,1510695.444958278,875597.8979999303,1387979.747727638,4754945.716147803,1858909.501245694,55167914.99459578,7958651.450082357,1629068.027221403,31517441.35364121,1318001.679777205,2126216.133852698,824159.1672092696,1558620.492652069,3740307.258366567,2618458.804681196,1153043.036886646,5590028.579957625,776788.8508840105,1079669.389591026,836575.7116246177,2038573.833424625,1140813.324557884,3197519.14073745,737858.382325564,4540783.331428421,3458339.473832135,905569.0385380656,1316024.510638734,893158.4864164173,997936.5856661164,856369.79281691,968330.2331416606,915451.666156354,870517.2062095298,1193053.965451976,1067838.651153274,4861367.886078511,936839.0400242492,791651.3590396041,1154012.012315463,1213396.641020401,1062412.513846129,878482.9719142166,715734.2811634532,955548.9854024342,943494.1852113508,1146443.761747979,880021.3389249946,945049.4990645748,1285331.148791924,1011866.94363166,948760.8863532662,1419693.935551972,988585.6754871686,2661071.98803381,3096918.834601296,3631980.844312379,3968173.067784126,3167461.883668933,4010079.434369484,4864172.336749894,4406959.842634305,4450900.815604025,3181998.790892268,2330747.041979232,2793072.531404086,2947518.098953913]
["Com_948_neg","L-Ornithine","L-Ornithine; (S)-2,5-Diaminovaleric acid; (S)-2,5-Diaminopentanoic acid; (S)-2,5-Diaminopentanoate","C5 H12 N2 O2",132.08937,1.377,131.082,"cpd:C00077","map00220  Arginine biosynthesis;map00330  Arginine and proline metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids;map02010  ABC transporters","HMDB0000214","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",3622181.876096549,14147485.35852162,4231343.428883111,4459597.700848313,3668834.794939201,12862052.18376404,13436335.74941626,4623966.502688451,5984068.074338673,8822843.919508472,3876507.214631071,5764443.63932374,3399816.272079824,7511735.56619715,5577333.174803672,7437656.845972536,9483442.498759812,6567188.829351496,7704395.566154679,5484926.549856649,4494860.624665752,3888561.908267141,2592588.625783763,4269513.207889012,4458377.413946151,16648330.87719776,3550775.326115204,8540623.419052713,8940481.10275588,3765699.525456861,2621193.062836787,4945834.259006808,3893644.612252633,4509257.755083038,7123797.564197831,13849252.97244494,10666994.12314697,3652891.62697985,2810404.735404478,4015397.748592337,1996649.86675206,10315514.44495387,5623130.769642658,3503214.548409418,3835898.355930393,7623919.059190343,7949480.990890962,4181993.740388945,4337052.225282277,11027679.7265036,6438103.363677547,5429239.27427596,8579746.394646117,7489793.194482093,6863940.632342387,7896598.324394374,3770981.75049057,7041364.050340471,16971964.4584292,14976366.57479043,15578148.82833124,17269200.80233314,16258348.35052762,15788926.51784451,13795569.5015421,18538143.83083266,15254009.94743216,15286139.63727909,14104263.45394912,15514092.32265324,15971550.23762096]
["Com_965_neg","N-Acetyl-DL-valine","--","C7 H13 N O3",159.08897,5.375,158.08177,"--","--","HMDB0011757","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",40332725.79084599,22476302.78860578,29133375.53683182,12977912.87622394,26808089.70064289,35073925.41517343,23713077.59261655,22597830.22159481,36108465.11850043,28381488.88119211,18946915.64610946,30879674.29603618,39714337.31716543,39635925.3484346,34138038.22396378,25504984.52812099,16180872.78882885,44828320.71404979,40339819.35831599,34706481.29629911,25729304.18723572,15386033.77775126,23860684.37398054,43345236.59738798,21486502.55364923,43724497.60759501,18736478.24993401,21688732.61395609,18625698.3318957,14825738.31919121,44363945.71079756,37691134.06167521,38050041.52584949,52320732.56210025,24245464.6193476,84235510.93888362,18664305.54075445,31226858.52903897,73551716.69860853,39094319.47005925,16514521.05854599,28689603.76179566,30120537.75273145,35115213.20866477,17985782.73686537,27728980.93397716,16490634.05368112,32348457.21444766,30433847.64239164,25715194.99948324,48474767.05865525,26164179.67286279,39876214.95183954,35745844.05115114,52904662.84064262,88898731.28227988,19037731.25847165,24874749.27585269,32620903.6753029,36986761.6566006,37401269.1014806,32384639.36378249,32649557.98515183,28744569.11079476,32720860.54938101,34431951.60934863,33719281.30933197,37394211.01748512,35039531.04179545,32394585.28798633,36999892.64890603]
["Com_971_neg","Lactobionic acid","--","C12 H22 O12",358.11157,3.366,357.10422,"--","--","HMDB0253945","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides",84280436.9538234,86812582.36168839,96104450.61261705,70188263.54683883,99803156.37378836,67642236.32059757,73452663.8532683,99237106.37667388,64625137.59431351,70173690.63084465,95189821.26695132,63432670.44170967,73330156.83774315,23964146.57290881,41146446.99894129,74421520.2263631,73593815.71367158,56041754.05891148,41228847.96797053,73080336.62500654,56581016.54401725,79368444.04971382,97536306.80291957,40501279.93570485,103628677.0541313,70914318.42136656,89004122.17161143,58602197.61592904,92073175.7571025,58910518.59053034,57565406.11539926,72680498.50865746,50748824.46798165,77486401.51396307,34790664.44700417,29729272.81573737,32194290.3371188,72225084.62779291,69188609.61014949,49301813.68065105,94777152.50084583,76813796.09404705,64023683.95998581,93791140.59080154,89208596.67476457,97862256.64181846,64429381.44742362,48466132.78421923,74792692.88722381,55428060.41146891,44324060.19218004,74786556.86585382,77510223.97856654,113295958.8141494,67138248.94414821,70856080.5380498,56254646.36259273,93431150.98662686,69616377.0614357,73697724.82571515,88244837.76987416,59691252.01027838,57497519.89324784,56928563.20536453,63112340.47463633,54873208.73976687,64673633.48605415,65508262.36115796,65641096.22053682,63688123.27065074,57283361.48538266]
["Com_974_neg","(±)11-HETE","--","C20 H32 O3",320.23444,8.173,319.22733,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},6988256.162325352,11230295.56442466,10377674.66929944,8708893.81749651,13958978.50228363,12942918.40312819,3997225.109069793,7479463.278502711,8711158.017591693,4714694.232404778,7314233.301521708,7931853.707337597,3283213.692921567,12049977.46714448,10157355.44685112,8150992.013081506,4174144.26631881,6198424.781288135,7910846.677563621,4253042.108314027,6673697.05471018,6349558.885538772,6187019.679187573,7504658.631016708,6859483.102125278,7385560.691139963,8715542.522206146,4569718.926351459,8133026.450618735,5670011.621885672,6984266.779207489,9507068.986866483,11787652.56228821,13370655.59960346,14234444.12812917,13164654.3417188,9072073.176715918,7559289.671513276,6058687.291537698,11528880.7647328,6044805.002180834,18381388.23072878,9263490.650187006,7976735.043137914,8536348.839218484,9094280.580957033,8861003.662461646,7979778.450036487,6755902.877426702,15552955.37781487,13318485.16859147,7066241.762332201,10877421.1865734,7895839.72047663,13422844.64513671,13111625.40136353,9113666.293286644,5013524.566153033,28826763.4835943,23579525.3192368,25845725.90150147,25212660.16304908,24971733.38552545,24333643.86863,32516342.96347914,20200661.85610811,15899065.6277762,25862478.85147962,20309295.31816195,27700056.3430627,23993372.23891233]
["Com_1002_neg","O-Phosphorylethanolamine","Ethanolamine phosphate; O-Phosphorylethanolamine; Phosphoethanolamine; O-Phosphoethanolamine","C2 H8 N O4 P",141.01855,1.338,140.0112,"cpd:C00346","map00564  Glycerophospholipid metabolism;map00600  Sphingolipid metabolism;map01100  Metabolic pathways;map04071  Sphingolipid signaling pathway","HMDB0000224","--","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","Phosphoethanolamines",23516985.97199471,47186929.90472945,44498667.2127214,46697980.61567809,36583168.23613671,53160451.15249069,33790239.44870637,42344575.81434415,52584776.01366632,15866205.19610281,18194416.06559723,44622559.76080915,14039951.03953278,55206175.56593122,36884320.27488578,35299394.07043646,33522090.62227144,38385048.81660205,32272251.61086329,41747826.24497844,29779320.50422287,34411279.51294702,36339490.26059749,31387779.91118383,28228700.34470881,57524949.20021041,23653991.9579928,32019465.11251093,43669434.48917201,41351647.56111679,53746961.48645538,98602856.58215688,35525483.07631171,99489613.62594482,53587170.60296398,153062369.3591681,55376749.233474,47315172.33810741,30406106.71924338,40309230.99497504,24318006.78359713,64234843.40267915,79875988.2600988,31042323.25421615,58185492.44029158,72450507.58415811,75717150.00175026,76141248.42832169,48339429.37003048,65844032.53265341,49403966.93739105,105932791.8844712,116498661.3352094,145711508.0604038,108580751.9410872,52310108.16448861,23259283.74643615,78842107.72966264,26443188.1008327,35397569.73294965,34554754.21424052,34508504.73496906,32829898.79256075,34582798.55608289,32027218.90036383,35086103.15017059,32378673.68024398,34198371.07554103,26874589.5925492,29915930.65553603,30545009.18754542]
["Com_1013_neg","Quinic acid","Quinate; Quinic acid; Kinic acid; Chinic acid; L-Quinic acid; L-Quinate; (-)-Quinic acid","C7 H12 O6",192.06285,1.445,191.05559,"cpd:C00296","map00400  Phenylalanine, tyrosine and tryptophan biosynthesis","HMDB0003072","--","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Quinic acids and derivatives",5364367.406315961,4228385.67532781,4692136.921968961,4142975.186316082,4104861.950405425,3777723.646755979,3734372.502432368,8196311.335102694,4223066.171126242,6099106.908205703,6019150.880624536,6459268.983258522,5080791.576488592,4351776.650244603,4573318.914299181,3369986.599380877,4814000.299857906,5097894.12499044,6077602.969319629,4505813.838854183,5162121.038682844,5655467.856193394,2772025.77282024,3884312.756723252,3365220.97040992,4070455.07430196,3979543.243689937,5405263.883060269,4653422.726383836,4767743.901506446,4468890.195218024,5120223.944120463,4625763.35751662,4748710.012823936,3386691.557164518,5028057.318416781,3342165.26377288,4721086.116499105,4879087.396908378,13651203.09690709,3908794.537933781,4416020.37075507,3277995.292399315,4266420.413579302,3270569.960901202,3907741.535739296,3260259.300823595,2660005.027547499,3183561.684147961,3086707.140717993,4187739.777946286,5403578.567827448,4610597.604110248,3547604.676233156,3473512.718378791,20819258.48781419,4273930.490648096,4076004.243581652,21332220.6379176,17439589.47079904,17992677.32162055,21076595.87724537,21467749.5045957,13466845.42947897,16720647.44199382,19413751.35413178,16167771.6219566,15578495.07550682,16612814.9122394,18777366.26779817,19294530.28729781]
["Com_1016_neg","16-Hydroxyhexadecanoic acid","--","C16 H32 O3",272.23451,9.816,271.22708,"--","--","HMDB0006294","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",1801730.45429357,1041066.991756229,1021709.225561813,1001910.210136348,971646.5953310656,1279559.017540167,595427.3091468704,667332.1154408272,645342.8832617084,873112.1491716234,495734.8043005897,910671.3364468864,1125805.464367812,1499715.746149209,1012521.717286495,646471.558258904,720289.807558205,1171555.278465181,696857.116682055,719537.453948301,1488738.025082816,638937.4281824344,1043414.335611399,1067005.77702149,509253.299977363,899484.3271415795,565594.2505081668,548141.2566843393,745805.5127605835,963815.859966502,3075068.849229013,1489738.013414029,2269142.775114276,1507741.552652759,1154799.974742093,1580278.533971712,1425734.771046661,947174.227971333,1554235.207162466,1519267.89223927,688210.8816890224,1393018.499717561,1611292.847089743,1086411.648410161,1420569.54908286,1311037.175046611,1688085.967351202,1000029.706192357,1738875.586410284,2078738.598895746,1792444.234859386,1156413.045585237,1942817.938715556,902359.5192550772,2882033.084356753,1113511.290954513,1634411.447502186,552420.4224965823,11079793.3964214,8970680.082236461,10074731.13892688,10644613.0245002,10006339.12759991,8534249.379445668,8489793.174948653,8463332.628574163,7182248.874351327,6924236.920284866,6758814.039940077,6909075.427046346,5669071.869584876]
["Com_1022_neg","Orotic acid","Orotate; Orotic acid; Uracil-6-carboxylic acid","C5 H4 N2 O4",156.0164,2.069,155.00909,"cpd:C00295","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000226","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidinecarboxylic acids",5577097.327647577,25043064.2267601,34800901.91437908,10198424.55308462,24783895.3081862,32172450.65621519,9683236.876602842,5524759.06519675,24410674.58939275,3942454.454203148,4001930.939571632,11222906.57731295,2670364.40143199,77898221.74982707,40158628.30435345,40048569.89136156,5463605.513622522,27249675.93453677,9325942.510237638,28847135.32056325,7958068.642406673,7644648.020936185,20474656.03203332,16791627.4762958,11809457.13495026,17576633.86640591,3458059.200308233,5053135.911104804,9010120.15815734,13619902.55838744,27647123.25893649,64349741.23275915,72328074.97687902,30897014.31097799,41450379.22726938,115049484.2244896,30945496.02887157,27327023.60304103,28719465.39342468,122559782.7255436,3438312.701729261,39166072.15140344,8666631.959133256,26433369.50589148,21643061.38549679,104683552.6485448,39637849.54338192,34828404.0776002,14676890.71344647,63007432.02032355,56563507.48785755,31374358.18350159,38429419.6906173,17082906.19617163,22024685.5675726,16109867.22134374,27524935.68256161,9743471.660799064,25357819.677672,26276087.80530987,27976784.63457093,30661092.22216275,31270021.42142794,30077503.62436757,26176842.34409317,29798488.00127346,28840908.27030972,30024289.18678031,28751620.99553972,29969801.80822396,32010310.39024688]
["Com_1023_neg","Guanosine monophosphate (GMP)","--","C10 H14 N5 O8 P",363.05733,2.083,362.04977,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside monophosphates",18228530.41443596,4940211.311191338,4640611.925955778,14785734.0658417,5261443.171738474,4449489.656106976,1279033.965472022,6740207.272372808,8298634.346046131,3783139.112098604,7488020.385083631,8675661.250780093,4830840.244056601,15299663.48539812,2006074.059741743,5404275.49798126,9544569.70014727,2503337.371518427,14722628.18621566,3900843.609379191,3002971.031521765,6766693.930274761,67760606.58111611,2982004.148500849,7104149.062250372,7631575.858792823,7496008.231246823,5135408.378179099,6874970.263448936,3503656.746944155,7643549.890299972,18274294.75625706,6866866.459339334,10825490.64819754,8222265.038209707,10093519.4103085,7226340.305265491,12967972.32084752,7787596.29761441,5224209.374177412,3714386.859032422,7698538.64593902,6103587.086236669,9013239.687566165,4369844.454192336,11527708.25711107,7073105.420265028,4771941.201119069,4721576.806943342,9154822.33842388,4605414.533977985,4847311.322086537,6366948.650428588,4237662.54035668,15210443.83007716,8277183.907293099,3646687.412063658,7275691.107236641,3970670.23876432,3567138.647765781,2914054.922295473,3112272.16138719,2946226.32399112,2023030.804956064,2124869.414009766,1741819.569639506,2373208.304727425,1608422.523900201,2161624.448122718,2517201.525098809,1401122.520431923]
["Com_1067_neg","11(Z),14(Z)-Eicosadienoic Acid","--","C20 H36 O2",308.27094,11.06,307.26364,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",3634124.199191409,6739485.82884789,9047239.860641532,4509996.967792404,7263266.418142289,9281414.864277316,1779207.478121539,7279627.504839084,6381678.194192582,1695381.866700694,6759009.985779233,8928070.406317696,1644820.414640281,8128702.02864376,6973680.689513613,5890379.833864209,6103550.246729276,2853212.195219462,8056095.648271383,6312364.234244517,5635999.355346052,4334945.404599722,5184921.427694109,8281422.780133697,8120736.61449707,8053144.654184473,4067296.224339739,3393288.637985751,3533744.530352326,4765437.580814935,6105290.300880075,3894762.947756595,6215698.904525141,5763173.717518112,6700655.806377005,2234820.02958997,4761617.71810215,7955913.082877948,2556905.271041757,8048587.140540101,2984215.526671969,4802718.682762727,6533404.205359784,8521589.74545723,6298553.340692876,3310295.904921636,4503160.571189149,3302483.812630824,3689447.653546771,6914677.321957595,4286693.480056407,4702135.131061648,1804806.637974907,2460109.237973365,1079638.870581758,8413340.93744236,4590003.114345326,3375055.996747165,30029856.4405615,33040489.65832936,33626628.87117282,31630215.42361392,27551129.18481629,25251333.69853732,20912284.88294629,25095853.23283748,20864881.35874511,24180001.48460478,18320937.36550899,24024668.56456703,21739920.51358661]
["Com_1072_neg","L-(-)-Glyceric acid","--","C3 H6 O4",106.027,1.458,257.05209,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",36611932.23191911,19218039.4418585,19952998.63476193,23622129.38395687,23624754.60865691,27620008.31775443,17674397.10049196,13016249.12210278,24194294.45825212,15581060.7823634,17941575.61409548,23237527.16115725,15410538.94596466,31570174.58190654,24503106.66011467,29048476.44034594,17675144.8822334,16564580.34707986,26507877.54417192,25917293.21657776,22445361.65849518,20406434.54914779,24327222.42083386,19725338.63415129,24566986.41283486,21859766.99510385,19243494.61048298,18032612.86712553,14908522.70970589,13612566.05143177,28018075.1162692,39409730.83490961,26354963.70378847,28930967.6780061,36221052.9420801,46245597.15630098,39888417.71799925,19440298.02839985,24328525.2085253,42197565.60806744,19901904.79289632,24733383.8319169,33208632.16092882,21515300.52358501,18932983.92911493,34679495.33678643,24194109.06506092,25091145.85006988,33950218.68644482,35532500.52759462,26746849.5271888,28865557.93724837,26146686.56080798,20165691.9789422,53149968.33630369,25383943.43838006,19112534.40716855,19228049.21206934,33622643.2719581,38748060.11795665,43325925.45244917,35485424.3015322,40234263.90227068,39671624.1227534,26060608.51602374,37332403.11922782,41033077.73907661,40521939.99150575,26022009.14154302,35633226.26581721,30272438.86219146]
["Com_1116_neg","Mevalonic acid","(R)-Mevalonate; Mevalonic acid; 3,5-Dihydroxy-3-methylvaleric acid","C6 H12 O4",148.07318,4.677,147.06592,"cpd:C00418","map00900  Terpenoid backbone biosynthesis;map01100  Metabolic pathways;map04216  Ferroptosis","HMDB0000227","LMFA01050352","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",660794.9576773389,836018.6178111614,456059.7373250299,923110.788291618,649618.8624046886,432725.2349886087,496726.440468185,442707.2852292173,507170.5087725369,389746.5695730484,512531.9284354762,295883.0361963909,480337.1796615273,750938.9605408419,349543.7096476562,422325.3070536012,585578.8417146265,652407.0685303763,711174.9653865574,771210.4198824819,647440.3559701153,569283.2426333756,511800.2319585656,864446.5160919098,619689.1703224482,339098.5218115706,445004.5695103888,1128285.879200679,581503.5266355291,495690.988385701,551382.0169872689,532522.2943683569,874764.5742391129,959863.7371632848,420157.2171020305,1201806.022925771,489913.9971482417,686757.9045912772,885599.8996035991,792182.8768390521,342997.5518840907,743664.04643208,448736.1435335221,786076.8036315094,1096161.273656046,987432.4196898444,1300958.30751073,720072.8167340318,582714.6568122936,1336359.799410839,699320.979804011,432181.0451193701,565010.2848804252,408731.472809206,506161.1997622438,611185.3575032621,1083763.740957787,398579.5054673412,7620739.55471633,8614640.488828665,8720988.906196216,8578109.034753907,9415701.22349526,8621989.969885357,9570159.487872632,8522066.78256585,8872378.753233017,9620189.71737565,8358651.256300639,8453935.808671124,9481146.02490922]
["Com_1154_neg","Imidazolelactic acid","--","C6 H8 N2 O3",156.05294,1.397,155.04582,"--","--","HMDB0002320","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",5890807.20274787,2782669.149133546,3681583.662047834,3090273.343417349,3644324.462276589,4683176.691806153,5922068.278891172,5242540.775093316,3687178.434495433,3575710.232327457,3173946.849929454,2760189.193555288,6685136.095026243,3584901.04725359,3606644.728880668,4024675.49505104,3895332.795220482,5982546.471694782,3619467.616363624,3421450.17829449,4469461.983192675,2326120.123407301,2664423.989519826,6404592.460237545,2508674.772883971,3108901.210576276,2619632.761821878,4406290.538648983,4725266.808867628,3858370.081502462,1993082.184321348,4946939.214153101,3629982.808602569,4844408.01742606,1230039.307353145,4833027.469528222,1907771.786491819,3353303.134265516,3764475.963529697,1744958.559331943,3134161.902284417,2963593.615076995,2780572.58339958,2946499.233010341,2509438.892620462,2070979.216674881,4795871.425427451,2022000.226524526,2387776.810092636,4419807.538076083,4933563.712355744,3112031.26041492,4536844.319681796,2515543.528251356,3098050.218629025,3399586.980887218,3739236.90924465,2630215.102728613,9827165.35379323,10414223.51299998,8714173.743949877,10993005.79336076,8915834.22302616,12639776.10218758,13463871.51307102,9568792.825423049,13405106.63444835,10234064.1329899,10744420.86177779,9320736.23006656,10773365.55007156]
["Com_1158_neg","L-Asparagine","L-Asparagine; 2-Aminosuccinamic acid","C4 H8 N2 O3",132.05297,1.369,131.04588,"cpd:C00152","map00250  Alanine, aspartate and glutamate metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids;map04974  Protein digestion and absorption;map04978  Mineral absorption;map05230  Central carbon metabolism in cancer","HMDB0000168","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Asparagine and derivatives",22491153.62630681,16208595.5865394,16424117.68559532,22124239.60391682,24531549.5758401,22457169.91152373,19383972.88810077,31889484.55945472,25023952.22908518,23736754.70240172,19700695.04784255,21750183.24066715,24988394.53567484,26807378.07307655,26106297.95015792,14677276.45956511,10563316.77881916,24816038.07375498,32012393.22066168,16329085.00415133,27353669.58178153,6870140.140961933,7265857.078686051,20513385.2667835,22459162.59440956,35006234.41792844,24878126.32294328,7154358.205022407,33271811.96901883,18512568.20752906,5479936.868550545,13076396.68237189,10373699.63247369,15966313.61771093,12994703.13715249,12956917.44814663,12242752.17047347,13834494.616592,12866012.09724059,20090321.09177783,15050620.18742424,8824918.908552568,10191513.90774706,18926460.17109172,10441475.11692774,16673476.66114816,13320316.27527093,7956968.13138152,11476275.42929145,12617203.27330407,13135607.75959357,14839897.1400818,11344633.81395835,18975762.06096523,17889823.64183827,17374798.3734504,20528316.99910466,13183787.36210586,6585574.56753747,6221762.202016619,6858203.925323672,7830846.486482482,5689302.821900656,6623659.035233818,5652019.7043532,5924304.741785361,5274141.616694334,4521014.172971793,4853352.97113697,4608733.728647182,5021978.961618579]
["Com_1159_neg","N-Methylglutamic acid","--","C6 H11 N O4",161.06825,1.416,160.0609,"--","--","HMDB0062660","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",11915183.0590428,7830771.990918033,6268649.491658025,7909001.211874168,6972484.395155707,6739502.375173117,7918968.522517734,9955611.222298997,13204458.76318562,3845188.514083883,5354464.373567702,7772569.225206241,6081480.919843577,11515064.77949449,10268424.41839523,10946116.27345481,7069881.855943598,8730499.769285895,14620192.16115478,12191557.4709411,5606505.474085186,5147670.98504528,4374670.368974941,8964273.9061129,9106536.034255125,7385340.080335136,8147037.542049295,16061491.13223038,8136636.85628495,11392991.44746148,9352892.054462267,6839167.961331579,6548589.049761096,10735005.81018575,12020384.51056434,11219944.536529,9078305.28626824,9402824.714840949,8773098.073093986,12840977.68459691,3972432.365382157,9551615.36430881,9875421.72457813,10151042.03191524,6715350.625577522,12743791.00286097,11654691.63490503,12502884.31153822,11482271.42844486,12651834.87465596,7791686.049950448,7712854.655182128,15006750.33561708,5334764.151571018,10986689.22871906,9326617.619490163,6959787.530325233,8162438.649941772,9198513.02767641,9377388.008692326,9654602.77527344,8908759.792816106,10322927.45433062,11175088.69452204,12796991.50883874,10506000.34842726,11751168.37378074,9162012.900762612,8069986.157608787,9659088.583694562,9514119.90102454]
["Com_1161_neg","Glu-Glu","Glutamyl-glutamic acid; L-alpha-Glutamyl-L-glutamic acid; Glu-Glu","C10 H16 N2 O7",276.09529,1.444,275.0882,"cpd:C01425","--","HMDB0028818","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",2597190.558068442,1280386.026097783,1162903.507022142,1237997.637179599,3312820.738891943,2216635.623530194,2480549.244819923,2139148.421430337,2738930.991657487,6135297.479708788,3971543.887822032,1819687.611236467,5588334.267526593,2843622.820802106,2486642.996463952,1043677.114562623,523996.9500446161,2346220.853580268,1575476.650473312,1159307.0514286,1948101.795316825,463205.9811203858,1614497.459386743,1324136.46216671,1186350.624766954,1756212.150597951,1615916.022739524,394678.5612191075,3088451.769179877,1016772.347856213,862947.6611974499,1813781.01846678,820666.6972384384,1972599.018553469,779192.7939887875,8347181.523585577,1440322.717322111,1181521.510850643,2398334.967654507,758018.5253571853,1558631.80986089,782083.5652247872,1153752.698264962,1705076.02032908,618097.7918431327,887674.9069084888,917027.264635678,649364.0859674392,780825.7032324681,999949.202848326,1105483.638301921,1167477.375141335,1549077.997181339,1911012.887955661,2372287.899212702,1450665.783549157,2085625.875817828,520438.2924833054,15946607.1582916,11522355.80892667,13428243.62236827,12503268.52972985,11593735.24668932,12043160.58347123,10620200.27617613,10271550.25394916,13826907.79994083,11951343.89650116,11572477.39186913,11654469.44110939,13447342.71246477]
["Com_1162_neg","LPC 20:4","--","C28 H50 N O7 P",589.33664,9.141,588.32922,"--","--","--","LMGP01050140","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",68648791.78829657,79413491.75887682,83817989.64589205,71010241.13062711,57887182.87700548,63621716.49916644,16972158.64745014,63461458.61583502,69058325.29281822,36094402.82479051,54261316.59075388,68476550.38975224,34322938.7315219,62696168.61448545,57100960.97351284,80626760.74687493,41605399.91148831,38007660.71444495,51474607.39966513,50191620.52678339,54370755.16808846,46827306.96470316,60436542.20475779,37670425.55360611,54377100.67829238,63420934.63227316,49996621.23543561,51914406.62009846,52622462.09996594,53656750.00998914,63191111.46968576,62400017.90464427,59411773.68467278,65436129.02325212,77233100.6808195,65642137.34919892,80202339.28555119,23138337.57452877,61338199.20950884,66626861.00954847,47319208.97257865,77220542.94069739,68554767.45274618,71589243.49748254,75575452.15524997,76852393.84692976,56169245.72687578,72704648.06800038,18283695.80962718,71555136.05246575,64685255.96905442,43002257.40324306,65068399.084096,22639937.68875463,88833990.686041,101240587.512678,52777907.5873107,52137429.17819845,39266186.8346319,35823441.29881167,38586225.26926439,39766947.85416594,36518811.07385411,38951948.9693528,31757231.08649772,31513566.32320817,30873129.41464568,32801926.43333622,26454608.30110477,31240662.99099203,24331683.50775308]
["Com_1166_neg","Picolinic acid","Picolinic acid; 2-Pyridinecarboxylic acid","C6 H5 N O2",123.03163,1.988,122.02443,"cpd:C10164","map00380  Tryptophan metabolism;map01100  Metabolic pathways","HMDB0002243","--","Organoheterocyclic compounds","Pyridines and derivatives","Pyridinecarboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Pyridinecarboxylic acids and derivatives","Pyridinecarboxylic acids",14245403.33411744,7884057.858319792,6641169.117069025,6008408.163270608,6196608.34066816,7031771.527788944,4922466.183048897,6328837.882233851,4445392.851762281,8071182.608732898,6473093.911186907,6265350.081020479,6813451.227328557,6939065.132330192,5752188.006251995,5038266.290005531,4471974.95727732,6458740.968640869,5427652.658923851,10233202.96566197,11236089.22959851,7653450.386272552,5914324.957009634,7236991.392687967,5401303.07684104,4722426.943875531,4884085.804340252,4393673.683188655,4911755.153231804,6700665.584913191,9659325.797779726,10115529.75872082,10244995.93754312,9503295.283763131,5849406.692875255,8939312.488160057,6634211.798820505,5421723.314178439,8956417.022795606,7652680.802331704,7876835.313786243,8441557.65403633,6532275.250221008,7758328.382578341,6646397.229618595,6901869.460232292,6086083.042766444,5135223.989530236,8561031.111843642,9201701.973328834,8178387.398688449,7258429.96886409,8305972.89149805,6137788.834842554,9957335.713776115,6165629.171631586,7239726.070957208,6275447.378097447,54117337.1803916,42480650.93513466,47203662.51609796,46718100.53570438,35980418.87104478,36810904.89643736,35114951.82553174,46955961.97341271,46063410.16338076,47126762.51977417,48007867.68540265,62447641.84072624,59939890.78860288]
["Com_1198_neg","1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione","--","C19 H16 N4 O2",332.12554,5.367,331.11816,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},35094.93825244565,29206.81557232166,29102.80086619293,24853.42449039648,35537.88853499578,31322.46374857924,28529.99816358935,32837.74543224503,54807.11128259625,22140.6145712067,21401.33837275745,27023.44257405389,21414.40342484328,28088.47342973327,28083.20266832883,28292.4103923643,30061.17840825365,29666.14076278166,35237.66005956897,33176.10998760452,25101.44181689935,27985.27057125251,27509.17640338687,27368.07236618258,28684.50726861228,28221.65665732171,29851.81997155135,36959.47308969004,34145.89073156408,40037.00467096506,31186.79797856174,35973.33843275451,32782.43875666608,40143.0552314695,28425.47268289705,37943.61419433654,29424.10019285738,39972.80538877787,40059.9975793117,37702.70599756094,23328.6014576979,59834.60540473989,26135.04028463614,27710.7453897123,28293.65529281699,34780.89188432144,34119.45643169386,36523.24883209977,33429.51749131338,35369.54264605679,41850.16974894152,33635.20211797069,33985.09515478795,36583.83941788904,39013.62412978728,45561.31589179256,66236.25730792464,34817.18214184234,6959828.60814063,6649799.633691907,6236761.442670831,7135546.149456628,6477659.4974644,5944622.898656605,5879192.300663712,5043255.819350534,4957720.901717597,6556173.355090069,5210680.15118265,4793329.74990772,5318923.288556184]
["Com_1208_neg","Uridine monophosphate (UMP)","--","C9 H13 N2 O9 P",324.03499,1.993,323.02777,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside monophosphates",35936558.75775593,13964885.69531717,16659220.70291622,28779441.84798091,12740462.99806291,14185499.31956407,9031834.737167755,14699176.5730708,15783146.17087,6151583.687425719,16884022.997586,18850446.75696802,11782252.13976453,31832234.76627649,7828356.119081842,23740258.30922304,18385337.44662001,8132821.409987296,29351437.06823752,9971604.960544048,5756673.760799143,17224328.91098419,22871733.77865427,10716651.70115678,21774349.64052764,20389657.64018407,16962060.46232818,20715138.99959489,14010156.33170343,12919236.83968915,14247865.22697068,30356742.55562742,15519376.83487309,14338672.24496129,35925043.2299427,25935392.46631554,18940691.00017314,30169837.65101082,16653650.55110667,14142483.94858916,6113567.258213823,18972689.97560748,14032968.64352222,22925784.99012858,22047904.68675504,24434531.48706464,25290294.39742977,20955002.80303032,6749958.044401198,14655622.17069363,11854291.5313822,14219658.27208064,16008049.49134156,14631636.72002185,14577096.92844482,16961639.70218944,7830448.239113251,25030388.05999166,18113858.7415759,16298359.49414825,16844676.19763297,21530600.39838786,16879086.01646387,14988609.58705232,15686944.79461885,16942130.29666369,16178047.38841473,16567884.35395326,17013934.56824845,16884126.12605759,16649384.47145213]
["Com_1217_neg","(±)11(12)-EET","--","C20 H32 O3",320.23443,8.354,319.22733,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},5291204.782236881,8183535.181160482,6319141.002352311,9114895.555534394,7343437.513362485,6989733.054105652,4015429.607727698,5485203.954258193,6217446.855197893,3596474.072760625,3569170.63971769,7007753.291492086,3346245.050419228,10409246.03341575,8098288.693924936,7043078.734098464,6568750.142630074,4590546.871645885,4289681.254878025,2628887.112008644,6588599.608381459,6082594.468216726,7436792.059798746,6896532.865436615,4588418.651735101,8714892.112095818,5235973.590590472,4753817.751287315,5528011.775218298,5685977.872834386,5033025.978617286,6431371.084116277,9173985.111130426,13257718.06368654,7540581.163237119,35036796.27657784,11992852.86227223,10475563.04654908,5797347.334681289,11944139.09091691,5555267.577831523,6526758.424515512,8033441.795751097,9989265.145802123,6665663.30786668,8144628.567170474,8783229.224713216,6596016.505887329,5126854.217672305,18973127.82929285,9051854.696210276,8302033.855434762,27273522.35688792,8039315.590767187,51749410.71386699,11061034.66123444,8100485.494850194,4845940.343023829,14435772.1783701,13655074.8608951,14053607.63558924,15401487.87050122,18593009.83883652,14413793.88349989,13077148.80594102,14359159.9800777,11774313.56641322,14137523.76916694,12970343.14953356,17489003.2356439,18651419.99869506]
["Com_1226_neg","3-amino-1H-pyrazolo[4,3-c]pyridine-4,6-diol","--","C6 H6 N4 O2",166.04852,4.872,165.04128,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},1580320.850050769,1293590.716854646,1010078.365451606,1498423.448296579,1496760.904292095,1581038.801216885,1618530.065512211,1772044.454156017,1248212.437406068,2025900.835945341,1264221.895117347,1792775.180328238,1928451.940943781,3566642.037667536,1946855.613268056,1618337.272710307,2113981.997360405,2739222.005252504,1715581.77277907,1532446.418917408,2388171.471939639,1369887.418934531,1659131.301158268,4407477.585749445,1363299.029089166,1719149.566327851,1477623.452592348,2201965.607383437,1362843.023874555,1496142.147619729,2913707.271267629,3661805.884479139,3887506.260482756,5690523.983738071,2263460.932704417,9943241.67706494,3876782.217890041,2436199.249486504,3753807.983114048,3685871.425356757,1949092.634882582,2691770.784746758,3940412.237087677,2102453.739731949,1541039.013496934,2558600.4587299,2697063.945358434,1994018.357963246,4116582.696429474,5962030.54871116,3327331.424020457,3162974.059384847,2496040.620042475,1623199.47029352,2690190.222091485,2341846.280413926,2492121.81339815,1923891.347042937,19692984.6112789,20722068.0950199,16856072.19946444,22059099.50399958,19395791.23427046,17601656.98724442,18002027.88482478,18704865.53996238,17967618.89549545,20102044.0085375,17643196.08605751,18753192.92066858,18606513.30244795]
["Com_1231_neg","Adipic acid","Adipate; Adipic acid; Hexanedioate; Hexan-1,6-dicarboxylate","C6 H10 O4",146.05735,5.247,145.05009,"cpd:C06104","map01100  Metabolic pathways","HMDB0000448","LMFA01170048","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",31030484.60992825,33886541.55931667,41362839.07071775,16793908.17997444,23534859.58334976,22760624.31945538,22719200.0409531,11558927.90105946,34477643.75942832,17808358.39443635,16555725.4585243,16298393.79825407,20082298.65948845,33594833.66072705,21777541.25369849,32325842.7100039,23804798.10756762,26446380.83350639,16913071.56643077,43624319.35381666,22446750.8846838,27984593.02799014,14205956.06785883,22704626.18515122,20592737.91391594,28284874.05520853,20909070.11348218,29345246.03347762,17826996.60199706,19693005.50823276,81633718.35951972,15254572.23345668,24454718.28814134,31751287.07733436,36222705.74843796,36529294.57361961,8629456.74588028,21331591.036887,16465369.58851145,41703973.69063015,12531517.50053947,34308802.11461547,44703509.02811016,28669735.71657255,35636230.60910192,27353383.46784136,24248451.88695465,19344499.43614956,24190870.92567506,17849921.94682397,15213835.31934392,27920142.54291246,62451564.50875247,23952326.49772326,56072101.42771661,20133760.6877429,23767658.10752888,21686107.06138797,26930005.4122936,23170640.98368529,19836873.13706224,22906653.00844548,21258736.22551513,20635113.23587759,21584345.94346256,21473146.24369851,24052152.34025386,20187831.33461374,23044051.96729098,30764367.91418268,33631204.33264863]
["Com_1244_neg","LPC 18:2","--","C26 H50 N O7 P",565.33665,9.21,564.32977,"--","--","--","LMGP01050035","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",84297997.90595262,58062762.23428498,53888060.29911839,42172779.85153005,59185458.44315331,47178761.66556675,30133406.77621765,45207477.73133978,61637482.12297984,39902091.37533505,43611464.94659387,59447287.55664027,38838856.24172898,48157688.59194519,53303358.31328974,63927626.41708124,48766654.02201509,44142236.08459944,20927051.31468337,42629596.86891431,39488711.58842202,42429345.63325309,49014919.3611976,30395265.47812717,38971824.54100883,52087357.3064855,48118093.53058047,51466561.18480562,54184215.39474945,49832347.24539848,60104889.65128826,67230727.67761797,49324639.47005471,66238783.43422039,60047688.64699658,58279039.35498767,59185245.354719,70578168.57188772,59357333.66664744,69313655.62083158,20383620.11138446,61252702.34930889,53479125.4460619,53808703.3113058,50505693.15182619,60574429.41208825,52021965.25535659,61788368.6906938,52985950.23918281,67088798.05518917,66567522.02844636,41540504.80643407,52971858.92732549,57915084.79431467,66087885.34787952,62733759.6027592,49456438.40297864,51915808.95885673,31002204.2937445,26975923.87062472,25843785.90748199,26607397.64943549,23718916.33427023,24016769.8286927,22186485.77819062,20313335.28562726,10760445.04035943,17702015.48341349,14509635.11795939,17657399.16438378,14714268.45686513]
["Com_1245_neg","4-Hydroxybenzaldehyde","4-Hydroxybenzaldehyde; p-Hydroxybenzaldehyde","C7 H6 O2",122.03638,5.512,121.02911,"cpd:C00633","map01100  Metabolic pathways","HMDB0011718","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Hydroxybenzaldehydes",7031933.405038351,5832779.922617568,4957433.516185934,4786487.524823304,4732701.960778478,6049758.013364,4080451.237669617,5180495.678637799,5743874.623428231,3755927.22932554,5804768.968993711,4710832.894992969,5014472.532785832,5881545.616441813,4838450.33510608,5506647.072356801,4291450.838188866,6028797.44583746,4866191.790700413,5494210.514844411,7889579.48063769,4329958.034518343,7661932.312105698,5900135.818802764,4595106.367829202,5034667.545515078,4041375.300795501,4668633.359095292,4335870.299254901,4685992.312062502,6740840.554628342,7442990.274671053,6173512.861630971,9592774.77728374,8225889.999240759,9015397.915718704,7477258.008070459,5651319.716958069,7315404.066341941,6460296.209672745,4996524.634082854,6222064.113164332,5684879.19026932,6068217.467584198,6753754.504473891,7452672.481129743,7186214.09008795,6402441.168287626,6737594.085918167,7481100.859019916,7440819.973822127,6482703.828843821,10371686.32077779,8359049.906903442,12553070.1943773,11833996.04976345,5653237.943737066,5280964.493434384,10095057.0634724,10870657.74796213,10057259.3515443,13339563.99379813,15737763.00945243,14632731.09333307,10258889.28575689,15452780.08918764,14887504.78979272,13988544.67252073,17818851.17973721,13937000.94948198,13824955.61893146]
["Com_1266_neg","Lactitol","--","C12 H24 O11",344.13136,1.417,343.12418,"--","--","HMDB0040937","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides",3975332.617323277,2594318.688043599,3152556.187955466,2525656.582174694,3729486.318265152,4026504.97751363,3483144.682102581,3330139.930221423,3609105.547414886,2816774.718082849,3739112.134070773,2499993.860648789,3226895.57132646,4183186.15071524,2740485.512283491,2500585.446362396,1987587.032098222,3621577.594432357,2895586.853633114,3716430.033203645,3346549.961327405,1868870.130891299,2113852.178595278,2876803.605965898,3053890.719303404,2682793.886125882,3092252.973018641,3085161.894973349,5864327.541975942,6384894.60695025,2306146.731137935,2902786.490824623,2617034.057572801,2583691.598660494,2034534.305718885,2425784.701071444,2039384.23187831,3164966.133242775,3375999.112844054,3097146.814545107,2228848.989681924,2386778.259370486,1881562.580599581,3765381.594276748,2277981.131713287,3707400.378301342,3011505.960740516,1572953.645686079,3333889.377647689,2384977.001460969,2350714.54535062,2638755.293356567,2271662.758630516,3657787.149089257,2397219.796890047,2718999.976940049,2678113.223968448,3138151.226084865,10225400.5583509,10360506.3557285,11188310.87738718,11219599.18643169,9405187.49988667,10760980.1299086,8331185.375382966,9486253.375635376,8707863.394959813,9242723.218567064,9653547.86118806,8087189.633874835,9431496.379855812]
["Com_1282_neg","Ecliptasaponin A","--","C36 H58 O9",634.40767,7.76,633.40039,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Triterpene saponins",32026.67908544924,15307.9487245723,14810.69490220572,14801.22078179516,14368.84329429866,16336.94213915697,13017.43579757624,17564.8800148353,19625.53958735489,13589.8666068872,11977.98480633713,15096.96060676226,13324.40401328867,19503.99878598011,13838.61307319611,15052.17491218802,11720.95508869442,18807.82885390345,17447.40029952094,27288.4427202238,14316.02563051428,14867.59930300512,14610.33213655535,14953.56387401136,11834.01947195022,12882.13294147618,11480.24944649773,21347.69966908139,13138.89750799518,16089.123400388,29032.33009827922,23750.60747420325,27348.49890605368,18385.88183648957,15954.08906027491,23537.37610273041,17687.99868549815,16454.71777325765,30163.07858062122,21387.24814620422,13119.3809979905,28770.898963764,21402.12066279639,19588.36479994549,19041.77132862616,22439.29006898507,16726.89552245173,14286.36317107965,17987.00959723665,28684.77158666492,25731.85841989771,17783.80953949544,28344.1836197932,20707.05322899514,29759.78783658582,20740.7050312052,27026.67821193501,18863.3600489936,1084360.26304276,3014914.406598342,2416560.033792668,2306870.973378948,3044484.406156834,2231575.19488918,2297922.007510155,2473291.076544556,1943975.044893821,2507066.219354603,1546052.999954726,2160282.467302012,2634741.436764542]
["Com_1283_neg","6-(4-methoxyphenyl)pyrimidine-2,4-diamine","--","C11 H12 N4 O",216.09922,5.51,215.09207,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1250223.112330868,1012661.225598006,1773914.937675066,1445751.664856917,1021085.331419722,1260070.947336274,1025382.44368856,715105.1738685981,1757217.186438142,1107951.789188978,1051809.013906121,1049220.422622226,987524.433498468,1833509.893047531,1250312.084670899,1728818.903718534,1741754.422874643,1604469.702604358,1091902.555946048,2553240.135333339,1114760.036622556,1947490.368924961,1163936.254430467,1725874.213879969,1384192.50864938,1286031.062783948,1463313.479076689,4572282.80912953,1302175.971705334,1391076.43166006,3345968.278151161,2320542.713901783,1917182.747092141,2710836.985242577,1271909.373210061,2602608.536305106,1231526.150554539,1688180.020746263,3020430.934984622,1945865.142179816,1629871.619389265,2256726.876630845,1737031.158571395,1295862.86280682,1471932.960132721,1372831.72000342,1736133.627665535,2876833.825678492,1353825.59938978,1715407.535265496,1299013.075038675,1504372.894952827,1734918.429402082,1550554.064253329,1632071.606754474,1846423.427065356,1669759.821079805,964873.6231423808,17760808.6943023,19024959.74452237,15741847.75107985,19150540.92363927,19866729.91243502,17951780.0260432,16909270.79747383,18500401.51413437,14362231.29578466,17875153.81835561,14190432.52564958,17990782.95159895,17938571.84209152]
["Com_1300_neg","Adenosine diphosphate (ADP)","--","C10 H15 N5 O10 P2",427.02865,4.674,426.02133,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside diphosphates",23040732.87542349,21266326.15047253,21351234.01194384,21380053.35692532,31739820.34672491,40299366.07162698,40758178.29157685,30268449.59609678,25874949.56294637,17487027.17525747,19104953.60317635,23132291.08144216,25778187.11153421,36912433.37727598,32505315.91120752,35137958.71074855,27765918.53810505,23126042.50667769,24620958.71461174,14368516.08050755,23066404.27413704,20592789.04802138,35193534.06493738,26897471.68090352,18167391.24533883,35274386.30463965,18138945.0663829,17493287.22713351,31015850.31981876,25304965.97739262,26418978.05893829,28416632.43890553,34280937.48068336,52902685.7184397,20468132.1620998,46483174.26083804,46803430.51809444,51901309.0704373,39631119.18081488,31310464.02225587,24588587.26275591,38261077.48611469,29818060.76010268,43610814.98636972,54701184.48159041,69586526.4145294,92685487.62753694,66216872.4850371,32532019.50292258,33424136.78879121,34630466.6810305,40139450.36386419,79434862.5444695,51158648.04302003,34313899.44645596,83011282.66101944,37677204.3093003,20106587.86272166,4817292.72179261,6731608.637812777,6651989.666684955,8868940.255365292,8233972.803043428,5520272.117322788,6425226.712143758,4619934.267461536,5206985.636878417,5904351.10521108,4821527.969664936,5189590.545663311,4325097.599201971]
["Com_1307_neg","2-deoxyglucose-6-phosphate","--","C6 H13 O8 P",244.03415,1.797,243.02696,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","Monoalkyl phosphates",34509266.26172501,37668980.07103059,65413970.45386419,33750888.75278514,33367612.07097092,55008860.54614256,38183073.12026628,23779048.5901436,45094167.91645692,18238462.58585377,18583356.73009476,24214265.74714551,25582656.02720263,16598552.93693725,16438193.02144148,38465911.87212726,23428434.56289212,24210244.42918087,23771332.44333056,29674627.15720941,23948975.36301679,29416051.92511193,72603341.6536666,36933133.28403887,31025294.15024696,25962527.59329708,18178314.18473542,53817111.47132235,33030700.35659464,33542394.26286419,21708701.23031606,30507721.3270225,28900782.00076922,34256017.02511088,11148186.65044436,28315510.96145346,18468022.46758513,25398432.72875356,33406411.1538598,28462824.64744583,35200260.00139038,43756508.34027294,27958415.27111298,42435216.85428621,55306029.00531677,32209093.00852964,59588052.67682438,34587790.12879971,25474996.0406024,40041687.2312042,33722241.13733748,32491221.76915555,45346871.04219496,39555769.64273673,28125606.85322976,49502673.0871901,25854189.00934146,43478247.91412816,29310435.5213894,21881452.33241646,25797956.82380661,24145805.07944089,22399009.7361194,22223721.07106028,20648106.21909365,21688046.08131842,19712016.09651631,20585992.81701701,19939703.70430061,21104323.90851979,20337267.65858719]
["Com_1329_neg","D-(+)-Arabitol","--","C5 H12 O5",152.06789,1.358,151.06061,"--","--","HMDB0000568","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar alcohols",14251183.81620786,6771255.920230023,10222910.84858297,5856672.600844447,7099854.824192285,11582682.0381484,7669983.531871676,3414249.463367879,9405878.642314171,11454644.34749897,8764484.214727921,6942693.763890522,4872408.658264762,18333875.67925049,9656653.651545018,10002179.24510011,4317179.010719693,4608428.401415875,4264137.04312713,16982502.99474842,8967126.12684868,10380709.57516134,10158597.81146208,15001058.78348093,6687745.312311278,6559133.14803727,5603154.382060461,18245608.68226252,4666230.769811712,5483230.928746112,16942014.23276663,21804259.47286189,15720251.44151141,23521283.13284932,16140666.97158803,35376158.73994003,13779377.59140119,14407666.72610248,16837976.10671868,22599175.25730892,8471900.846582573,14598617.15220106,15844339.78800563,7577369.53484517,5195641.728811215,19472026.4744596,10005578.38988714,12315496.87687935,18673839.22913558,19540738.53678964,20280948.13162094,16593382.94937205,18119250.21670929,14204773.10898517,26763220.87656756,11474449.71606178,9073633.166691868,7980766.696961381,16673446.2755736,12621474.29386862,19364431.38861333,17083327.45876602,16397943.20755938,17330519.70255382,13767988.80292013,15987990.08613721,14919784.21738187,15371024.0731902,17875987.59264292,18895963.37792588,15488672.35941481]
["Com_1335_neg","Prostaglandin H2","Prostaglandin H2; (5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate; (5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate; PGH2; (5Z,9alpha,11alpha,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dienoate","C20 H32 O5",334.21373,6.311,333.20642,"cpd:C00427","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04611  Platelet activation;map04723  Retrograde endocannabinoid signaling;map04726  Serotonergic synapse;map04921  Oxytocin signaling pathway","HMDB0001381","LMFA03010010","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Invalid mass","Invalid mass","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2233782.57172125,1498472.857591567,1654848.161325888,1260585.919301703,1254761.453885238,1018071.471095488,1374355.676859322,1543438.167520614,3303627.392941862,1062843.639329759,977832.5693870912,2535787.97482152,1399957.701302594,2264567.370824052,1101861.083548524,480924.1028317562,566149.3138494706,1161699.301451249,1622310.80162412,292612.2931413773,235355.1631609605,503361.2936729344,4013140.248083565,257814.1597987114,135170.010095086,1151768.057929607,243195.1321032197,308562.3573795827,245133.8582289819,264971.8328627329,4822665.80867005,457944.4612668937,394200.394392109,765330.9310644412,587090.8531197059,7685405.259544904,586604.8530583895,532348.1343766237,1120424.099125071,793396.9318884795,1805383.930298404,2646412.364960018,3138609.712789222,1594507.832987686,504969.1751956859,3193722.359061928,4605280.833165448,556052.6154315384,720511.1735930699,1265748.174230529,1581761.604357147,1394428.485805149,2204510.589359374,6059145.85847406,2840294.672502312,2174690.47903396,6551812.268213917,3867960.715780337,14616250.8660559,11778422.36972368,15046546.89626852,14290385.18172842,11673793.27677878,13112730.8109211,10490863.30646056,13412903.10756668,10178062.06852458,11332047.25080452,7126339.982781868,13802331.44259621,9884376.18405729]
["Com_1358_neg","N-Isobutyrylglycine","--","C6 H11 N O3",145.07335,4.907,144.06604,"--","--","HMDB0000730","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",24936341.46372884,20193373.03574378,55830634.79469328,18966938.51498132,10693732.03141181,28007537.27049399,31311015.32499621,12773081.96738712,39790278.37515171,27815682.86729785,27537835.25835006,29621002.57415586,55177562.09047222,33713645.91466614,44120304.90581881,31412393.18389427,24685849.33472308,42133254.08356837,40544290.12380532,35932409.1868153,33427723.51322628,15678639.34419037,28788189.86767347,32904101.54873138,41449112.79569634,61626044.42598272,30766165.53951828,27322413.55108481,19952472.33279917,27219698.83781662,30488379.06451043,19358199.70738789,17319793.05779362,32073836.7691278,24470429.49106331,21164281.74504402,11430569.89547498,26564962.16698821,44768450.05265863,45225997.01717252,18703386.79954158,19531969.11686604,30060872.64138495,27696827.54874213,24953880.90476769,23632287.99455501,20168272.36885045,64178992.19083305,6785771.500277976,9562756.351865685,25934391.81794273,11130011.65294334,31401110.28233306,22962037.5254122,55953462.1097011,34331329.61880358,22494485.42943761,33061931.68573441,26368518.9806459,21104040.5411881,16603034.39491103,25316850.68036234,16518148.98411508,20852912.34505938,20211844.58068605,23026812.25481636,30950885.61199384,24413504.45564301,18338687.34936944,22915797.80980376,20849028.72234352]
["Com_1414_neg","Itaconic acid","Itaconate; Itaconic acid; Methylenesuccinic acid","C5 H6 O4",130.02622,4.944,129.01897,"cpd:C00490","--","HMDB0002092","LMFA01170063","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Branched fatty acids",1498456.998450405,1708765.148233172,1947985.237392504,2951048.469659816,1919876.69038499,2354852.01279916,2241353.652130444,2549999.903295982,3995878.588558824,1206618.909398987,1142795.531289893,1091743.62150919,1257548.80198643,1655764.694261687,2289474.387183955,1323196.192073436,1200692.865647008,1516497.18549842,1544863.314415279,3856999.568468509,1066686.914490035,1053638.235537816,1354644.469221778,1340763.861876832,1315345.871781366,7910724.921664688,1184647.010340154,2234001.895892068,1344166.87364063,1309986.042720545,2408521.046492677,2966894.408554428,1335426.947242239,3438327.623777554,1702060.392578172,2063332.100082226,1553093.071209965,1736863.756526419,2705075.921235682,1235224.194145481,4079904.481383599,2308486.517038735,1294676.752933604,3484844.184990818,2245516.690704339,1697881.875509351,2383135.306088529,1821670.287867596,5549454.024697629,4416990.897726205,1688048.172389777,1993902.792270918,2500227.752213631,2762840.099424156,7289316.106148313,2347133.76488924,1612917.955134211,1444833.131812035,5294276.58001846,6076746.329133125,5714784.610971895,6284723.40034438,5594406.650928843,5158704.819666377,5504128.351244785,5642556.52342004,6386748.252599244,6256738.570528125,6456994.037473549,5316188.431480023,5248096.588910417]
["Com_1431_neg","Salicylic acid","Salicylate; o-Hydroxybenzoic acid; Salicylic acid","C7 H6 O3",138.03118,5.373,137.02393,"cpd:C00805","map00360  Phenylalanine metabolism;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0001895","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Salicylic acids",971224.0469797056,725748.0637833506,934513.1703838608,711713.6915742155,870441.5836370717,751205.7232139215,874703.8614802021,488300.9370088146,806401.4499753107,1021954.691551577,647612.7815941704,691300.0257326034,474126.2268250328,1170824.980028267,708636.8338394961,759916.200120667,984111.1655315914,605539.4794561195,881941.5896181081,1073590.578848793,1095452.494957482,902468.073992236,1514703.55849586,2422593.556525995,884918.9578897915,1546648.82973437,750881.6503582926,1277366.184229259,908720.7748990648,1056148.603550298,1092111.185566775,1376981.777118384,1248622.562793151,1624230.617403544,947140.9278134528,2183621.90576307,951206.2758895708,1562833.196128132,4220101.896108947,4430850.852529234,1060180.071046157,1360158.419763075,951986.0397697618,934345.1665213576,1133893.801027172,1775839.325278115,1428174.7359742,1225554.979592243,1308242.498374429,2573385.530341281,2145392.800442356,939902.361808259,1278200.401959414,1218603.227220519,2858993.701690919,1298336.134893895,1627999.055536176,680165.3811982184,6488965.16651872,6261928.893479341,6366416.861548433,6452543.045381969,7115233.642063029,6419776.360885031,6082405.862446048,5903318.640128007,6416032.323757779,6533267.504643544,6467715.799983527,6024958.241706912,6587945.983731889]
["Com_1446_neg","11(E)-Eicosenoic Acid","--","C20 H38 O2",310.28666,11.659,309.27942,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",817105.5839780873,1625979.255143928,2473148.408111262,1185373.398801434,1848768.916597402,2218737.291799041,228254.9617196813,1476824.428019001,1570827.275424889,315757.896631128,2461983.058100688,3416574.620144022,369616.9924922694,2039949.892992903,1368505.763474431,1540092.17124264,690751.8221013197,786251.2958550766,1667818.311665303,1559640.475172879,1074415.366474406,1595816.914375273,1040391.51551574,1307877.32039221,2371681.9480017,2177350.225700908,1018938.494284418,1110002.447021483,853371.2308256213,902627.1456876168,1780357.322539616,1837520.819828354,1376608.712889849,2721823.015350377,2245303.251634356,466789.8359904555,2579668.274877735,5200043.976376594,1400515.789276645,6137480.122920834,458952.758737969,1630007.674737243,1771568.293064386,2179233.06432256,2477486.432932749,1132832.976638258,1751484.000101982,1411313.986456098,900361.3048740803,1279742.189046018,497538.6947242906,1051044.660231274,475627.9805408007,525587.612109293,200323.0186735438,2660217.353194101,1007002.811248704,1117437.499297091,19653331.4386616,21095382.35137351,20363060.17796165,21340436.55984312,18079834.22033706,16205015.04656543,14435818.83249096,14950144.77008913,14972846.06167335,14718505.85646787,11025145.1657448,16114823.23023007,15310205.67413708]
["Com_1458_neg","trans-2-Butene-1,4-dicarboxylic Acid","--","C6 H8 O4",144.04163,5.111,143.03436,"--","--","HMDB0000393","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match",{"$nulls":4},3730334.82873883,11681195.44001317,5727479.517828768,3393082.76403412,3322524.805648354,3231416.753722282,2662248.006404072,1502976.63454044,5185123.584780312,2034497.066241053,3161392.682551418,1794361.274042896,3392144.017880636,3355145.232363747,3217861.803960791,9289646.944465876,5771183.494932675,2769793.252256524,1551393.528887236,3116076.587407279,2852657.657024282,3731006.901127236,1238647.011786606,3137961.069433664,2554687.483411124,3990702.09163068,3328053.541401556,3428534.209446101,4013312.299832991,3173377.006668388,12190482.31902484,11319409.85820353,4045692.012109636,2558383.575790709,14958819.7571705,2980189.444367054,20502740.55777461,3911428.218867746,31897382.06990895,3629175.961122954,3078132.234116681,14626268.89295579,8028522.31987638,3552353.908853859,13578118.92012409,7397585.980034458,8184671.177761324,64130974.57251211,5632923.123423282,1849526.259216058,1658365.884950314,3157602.122436512,41039263.69743724,3365502.212414812,24494415.72309164,2190748.976352782,4467960.26346729,6947893.173106124,2835860.27118354,2814438.660741234,2523680.649108336,2671312.64141692,2946331.034542013,2725915.290665973,2811173.703237661,3344140.936381296,2661846.958797176,2862535.986690501,2409522.062958843,2678667.746443903,3018983.662812362]
["Com_1479_neg","2,8-Quinolinediol","--","C9 H7 N O2",161.04722,5.587,160.03995,"--","--","HMDB0240311","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","Quinolones and derivatives",164519.6639313248,470618.8401477046,457977.2446374546,651489.28854633,298108.7968841655,326167.0600108025,438527.6891386176,413009.195639795,300012.7218509801,464601.4302074467,551007.9561834205,533500.1148670763,354808.9587665156,319170.0393714423,639847.9471385182,613092.7678117211,785671.2918833265,267934.5890850663,528375.3126990788,569664.9922216235,548929.7121245267,722303.788459697,544326.5573204361,447508.9968348454,623666.7840613801,656686.5914739035,648244.1627566536,837676.6721396783,417726.9865781292,602809.9990366468,455163.9015687068,387479.705396936,571283.0858121847,196231.9318923322,616472.8564883741,324365.444602818,531229.3286289027,451842.3772822809,1375182.663883582,391666.020913325,667852.1976476756,428885.7637299488,560237.2552926838,216974.3268788784,286408.4872159837,132537.2933261096,314198.4998433689,645740.9680404655,465384.070358393,456951.0047232367,414308.1756488644,665256.8540996957,310915.809054626,197078.0441176059,228310.4323498961,283171.0219597399,308826.929445857,437774.4984998032,3221394.42271715,3587005.458793038,4289401.135573546,3115487.518793228,5132062.318821603,3571459.341233482,3582631.42493012,4188114.84289422,3469138.965687117,4635530.571829147,4316439.566650541,3219781.075598322,3959847.258123323]
["Com_1502_neg","Isovaleric acid","3-Methylbutanoic acid; Isovaleric acid; Isovalerate","C5 H10 O2",102.06771,5.896,101.06043,"cpd:C08262","map04974  Protein digestion and absorption","HMDB0000718","LMFA01020181","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Branched fatty acids [FA0102]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",447924.8385235844,357931.5126857106,481084.8053777464,464811.8715362883,366136.1328672954,486796.7003534348,345650.0974741516,319180.5093908454,451926.1367891457,316803.8360547937,334752.1286120301,398152.6979399414,278707.8805842477,507386.042775533,518102.7421204272,424717.8705046738,459837.0654939052,461483.5788874437,561660.1696740364,766830.2509281265,431770.7444384602,469356.5246614138,449158.5084348533,504914.3383186261,413486.3686849207,368585.8982853012,331914.7545358466,744208.4646095249,615459.4887999186,510592.9771836099,603224.2769178061,498307.9213344567,720086.7750783415,1049495.891549152,424668.9915963851,932620.8274307214,548051.6250284981,535570.203088245,724337.0800208497,1409993.886290215,297622.3956272284,576866.8241756645,553371.58142504,566645.5514447184,375181.8197875532,770371.8453429729,1064467.117194914,843883.8998784265,831051.4087238662,1356697.590547093,579559.77405576,424894.7633683519,629281.8939092435,401959.512270094,612334.2939811759,549337.8593960709,1571528.009820102,320969.2757977237,5124235.01499102,7468374.919277653,5766288.490775706,6246001.244116374,7384266.172245821,5373825.273090987,5756796.215754425,6634603.699283381,6672087.483205631,7178982.481566487,7224031.377817342,8053032.868656774,6934643.947301283]
["Com_1541_neg","α-D-Glucose-1,6-bisphosphate","--","C6 H14 O12 P2",339.99523,1.603,338.98788,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",2447071.932616532,2900267.974886197,2209542.97628609,2181958.357616538,2597618.291486561,2624917.558158115,1955200.943039381,2798789.743441011,2865789.004543016,2593097.364020811,1455126.940950687,2659207.6468399,2704963.151725632,2680424.360806476,2721266.220921701,3645169.738936904,2844044.263417814,2669078.810144538,2103953.859341447,2097806.901103427,2879739.33425568,1895125.549161344,3847566.621063322,2948301.645763373,1849627.038168433,3902098.784008432,2662687.580765697,3069204.942666326,2638296.216860874,3725989.077464001,2527996.000975008,3243679.499247363,3037214.13520928,2799458.449441632,2319780.896661821,3695641.143281867,3250834.233933376,3422157.976524727,3198128.679303103,3569768.531930291,3550126.035497853,3251136.751457522,2573019.653187565,4395939.789464848,3221868.356336344,4934304.28271615,2087429.284147653,2503787.404984818,3466038.154378171,2458387.146369732,3057434.837250718,2555445.080557705,4546567.800984687,3854212.676715753,4332039.636880623,2937449.083178314,2600745.392824843,2665927.406763726,8041124.69252306,10437610.78804303,9464084.695079587,10045725.64640984,9405241.818779968,9109131.54330654,9956433.346831268,9286510.732779495,8606459.732777873,9820941.722353432,9124141.768123427,9165585.127461769,9036767.1725374]
["Com_1549_neg","Hippuric acid","Hippurate; Hippuric acid; N-Benzoylglycine; Benzoylaminoacetic acid","C9 H9 N O3",179.05772,5.428,178.05051,"cpd:C01586","map00360  Phenylalanine metabolism","HMDB0000714","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",4244076.955870163,2844339.802306498,7483466.921582317,3629975.731175621,7681610.891060367,16367793.39598725,15257808.2665131,7147277.566024479,6258908.585377065,13410413.1716169,7329666.439595313,7174645.383675554,12252936.11767162,8039381.236446116,3209601.376438144,3459454.331463296,7487138.32652459,5589032.688771328,7064855.734655533,2031820.789105423,7242277.165574155,4259072.509880139,9391949.592587668,7979194.653222985,1851524.080196942,5284585.586500887,4030842.259163012,4546985.627687426,4212663.688081451,2661162.893296586,7444163.72934689,9042125.499469372,7531660.472724026,15072469.87189199,3460108.513392338,30097450.10835546,9629844.696121376,8832257.274367223,69233978.36291386,12553704.72388876,9750944.053812267,17444617.39550691,6847352.13847896,9857210.558977854,5267981.413937543,10679021.52874002,4399846.350969474,2543138.229758574,12352238.24418249,15601676.32433236,38646212.90686508,10329590.85806673,13438147.46541238,5226265.915818869,12279111.68414906,10464219.88504817,25174505.59763424,8557984.018078657,8307106.06544222,8765808.729240099,9061978.24712605,9500354.4434428,8719057.159554115,7950467.255590624,7771811.843338702,8558785.276037259,7982184.409551843,8836226.207862496,8756434.837220024,8792193.845891267,8570654.233369034]
["Com_1554_neg","methyl 5-{[2-(ethoxycarbonyl)-3-oxohex-1-enyl]amino}-2-furoate","--","C15 H19 N O6",309.12405,5.54,308.11694,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3520572.299538716,4875668.079495967,3150354.546824354,6596741.410533729,10803924.62236552,3654022.206687864,4625471.27770144,8042983.263097414,272276.5981534353,13375963.20376649,5918457.977634653,7913541.153274866,4696093.467904935,1632367.489730093,2734720.140976461,1857088.301147748,3386234.225321364,2465391.518600995,4328370.111775804,6254074.644674796,17031946.31185502,13477466.99464956,11210866.20888246,6843904.081197409,4721751.298171857,7866685.518976256,11546271.14198088,4371773.977153975,1277461.76583051,2735896.719302357,4352403.86764453,4569146.005630748,7176349.527983188,4675753.481851684,3403788.284352913,2978503.841689395,2733966.778129401,2693396.094678564,16670725.37383304,1212688.444311837,8446480.943441935,1057623.654554913,8713756.668646727,11453319.44286226,4700675.305143049,3461136.727422047,1214979.627279165,790262.5088275637,5496349.715375449,6185652.289308192,6859970.53546541,4037413.650891481,2477108.83123846,2570430.580230311,4944774.974651923,1908166.293190533,2943265.367199391,1622056.312611794,4729367.32441709,5230996.658181865,6633134.884646191,5197271.731663402,5363010.778484531,3559438.5943883,2477321.423837494,3434667.039813706,4077590.224835582,4611731.42506105,5159823.523136073,4905790.398582694,5998249.754764889]
["Com_1556_neg","Ne-(1-Carboxymethyl)-L-lysine","--","C8 H16 N2 O4",204.11042,1.421,203.10316,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},1156433.816166659,761828.0081056962,715130.7674453319,778432.9141222589,799862.0888426093,712307.7687581667,751531.1715814972,1046833.275118151,754715.4300048435,1197007.383321495,773314.5954613863,838828.6751507184,970328.8381182464,754529.9892494474,811869.8313152052,656628.5339341025,563346.66002654,1084598.157439707,730185.2833990575,794634.6055852915,1176852.455602766,618887.4001844488,696172.8490699348,666521.1101261318,732627.4372123661,701105.172234429,724789.5906701465,587591.4566707113,752188.3226511246,720462.7102820517,708117.2717428273,972128.94612233,711602.043440594,795081.4154309581,682291.5571841671,771493.282668816,737819.3715950439,693563.1606371904,958261.7612263436,850774.165819481,808025.742428555,746403.4495501255,682123.8263125826,857773.7986053866,825837.6425284668,836525.7340980716,699909.6884250705,570243.6743112782,761310.1380788274,751705.7726949624,870113.7202798597,701135.3444817279,1032665.870710763,876328.8437045518,985302.2207287996,755901.8872163779,970897.7306774218,695355.2305442179,2298035.82225785,2679600.601782507,3160351.677883613,3087159.914496773,2486270.210195469,2815884.708161521,2699908.980016437,2646960.6615085,1975037.041600297,2883706.17074321,2520350.940754344,1952959.556201322,1831187.436685266]
["Com_1559_neg","3-Hydroxybenzoic acid","3-Hydroxybenzoate; 3-Hydroxybenzoic acid; m-Hydroxybenzoic acid","C7 H6 O3",138.03119,5.504,137.02385,"cpd:C00587","map00400  Phenylalanine, tyrosine and tryptophan biosynthesis","HMDB0002466","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",291290.0893608783,204054.8897923956,232214.5861309505,178905.4422530554,181983.2729338905,280869.9367592589,202806.4918299827,192737.723235639,233564.278578927,191552.2596003637,171974.3275609087,202018.2580042561,141832.009336529,219665.750642162,187227.3292338207,181376.1758331243,202836.7509947238,198226.5173247709,448576.2349644275,218778.3741925242,249434.7773687021,172505.5452277229,233409.3273705719,294061.5161600213,170201.1009504425,271867.7861612678,156016.8480889279,142566.2549625126,165237.3174101425,209671.0595062255,288664.7045557351,300714.8388622219,249460.2878527026,260879.9874179327,214386.0869591161,335989.0723093782,234442.9520633219,263238.4534179954,534173.8298024565,407454.5871730369,397353.9759419754,328823.4762506367,321738.9379652796,227862.4819202805,232711.8687172334,311578.8869008302,244604.4576581913,211473.4428892995,297581.3588362522,551986.2462341186,368735.9024476738,295350.2163746668,358288.0302020359,292907.280722481,445208.4891517752,294014.2235878031,672456.3177891127,248316.9961532337,4233793.45626675,4618873.461649356,4349536.076961334,5054110.490995938,4377567.97749764,5305521.876151982,4052920.947116424,4838921.70671928,4874216.307983605,5284192.59874033,5366893.053611731,5029964.149402913,4422480.339250188]
["Com_1577_neg","Oxoadipic Acid","--","C6 H8 O5",160.03662,4.864,159.02934,"--","--","HMDB0000225","LMFA01170121","Organic acids and derivatives","Keto acids and derivatives","Medium-chain keto acids and derivatives","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Medium-chain keto acids and derivatives","Medium-chain keto acids and derivatives",1424276.388305393,496198.2670102894,493928.8707938623,447810.2048399751,2238379.084607304,589758.5850621216,3791443.831390786,2270606.94448013,634031.9822002125,839185.8374741053,747642.8691656729,492736.326741432,1231910.615495746,849114.8604556872,1420080.784129373,5045142.129718324,8970628.386626184,3192869.536491452,1066673.608040608,585748.4517984593,685300.475447854,5206093.03214951,5845710.931551781,840898.3910610982,4819355.41054936,496949.716409302,959601.4967346108,449487.9884201144,4798754.877919305,7635749.049321401,4811723.498732495,2180091.184609304,4991601.972822888,7637349.635713433,4434945.057905182,5228269.713046794,758555.8156595423,5518300.529450841,6238751.091393755,9283371.778062563,747390.6660603619,5852734.888738067,2211623.902245723,6778112.431356114,10160536.89325903,9722812.581674114,15756951.88680324,13648689.01901064,3428610.667311433,9871031.667791,5531568.699485396,3423021.525610239,2456293.203163194,15012006.49647888,11275803.75745791,5113658.404905572,13604741.73155496,18775638.286368,1466039.33037384,1691009.038746659,2127192.868386609,2693453.93182335,2811562.640274899,3498193.508244038,3238762.341314557,2998029.509980096,2958238.801627841,3079627.486038757,3112405.116221757,3656947.850380305,3402450.877599685]
["Com_1587_neg","5-Aminopentanoate","5-Aminopentanoate; 5-Aminopentanoic acid; 5-Aminovaleric acid","C5 H11 N O2",117.07859,1.467,116.07132,"cpd:C00431","map00310  Lysine degradation;map00330  Arginine and proline metabolism","HMDB0003355","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Delta amino acids and derivatives",8563618.944823721,10741074.06593394,8168197.913479433,8221332.195162366,11244878.80511953,9898041.529716816,8676470.012977593,9533736.374378,10967347.29621859,7968562.571177488,9187154.981119117,11829004.78395928,7630426.672125624,12178769.16612146,12362672.11267884,7767676.638449696,8203064.217700926,11792793.3590583,11228478.53358042,11875940.40003027,7422665.526296453,6716890.084615205,5277065.847280715,15451490.21682346,8962709.289762659,11170642.23978268,9045778.697804231,9612613.500215514,9639462.003245387,9425227.691773264,6306667.901576532,10174678.51098808,6995823.714849268,7950576.820430201,11040346.16346378,7900041.732186725,11638839.85117198,8039042.616034533,8365241.016512941,12870255.45523935,5395795.61437317,6850120.936014919,7635381.992960067,9778849.10137867,6743827.006713193,6992939.47615194,9430836.451610412,7923588.344278453,7830972.792944059,10459526.06094419,6974175.055815473,7701659.403814075,9683594.563153602,7832117.778367545,7147968.572425047,7345813.132512452,10360766.72448924,6306778.525619307,15911261.4262746,12417027.52353059,12594159.51690261,16939331.88117772,14605371.44781992,15143415.92262234,15303373.64329137,14147157.72267214,15220340.4359971,14630417.15744974,13046389.38214052,13831069.71021905,13923513.98268566]
["Com_1605_neg","2'-Deoxyadenosine 5'-monophosphate","dAMP; 2'-Deoxyadenosine 5'-phosphate; 2'-Deoxyadenosine 5'-monophosphate; Deoxyadenylic acid; Deoxyadenosine monophosphate","C10 H14 N5 O6 P",331.06785,2.13,330.06058,"cpd:C00360","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000905","--","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine deoxyribonucleotides","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine deoxyribonucleotides","Purine 2'-deoxyribonucleoside monophosphates",467784.7162408773,809352.539507681,786768.9626507771,554204.0101093171,426531.9087393729,479102.3184768209,361371.8722935555,395969.9311630775,706908.5815760406,382703.3907680839,831525.6124673875,380762.9986499511,423598.0795496259,467769.661079239,577286.861810718,326932.5042359193,382357.9814764325,441533.58961882,623059.0137029982,482316.2516592152,386901.1097456356,353655.5436100831,313419.3878759239,410265.9100360223,409589.9825700519,520465.4227310938,336770.4429904801,488865.9629910921,316311.0196474995,339870.5205661913,440554.9129288634,536968.791101263,461684.802166234,473883.9163481512,667005.983902795,494625.6262548267,473235.1929272544,384083.2695800995,542088.2888245384,562241.1230954685,439053.0948500555,416863.7613496632,420893.0082599266,585348.6895467273,385378.5959770328,469337.9234770824,443133.5295821653,389878.1379131165,507799.9938449434,501044.1847634907,460539.2732128516,409728.2547649536,506364.884191457,439115.122069093,585761.2311327934,416268.586215252,454080.1275850451,317274.8574268987,3011841.67404884,3143504.523510783,1684277.669826724,2680936.656280852,1976202.503779226,1460075.074022328,1345786.420677644,1532839.363122524,1975409.829604327,1948974.855024809,1725148.466602444,1598581.191870231,1694924.798650381]
["Com_1624_neg","(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide","--","C29 H44 O9",582.30333,6.584,581.29639,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},58131.56096846877,29510.17442995649,39628.2659325492,122230.4377209723,39957.29095780749,50749.58735181245,353791.2441815748,39174.46011793737,269927.9021030349,450888.9444015506,155486.3757687363,50769.04898555888,64090.47589368409,46271.28607682863,37977.76585082088,48376.19333496254,31519.45635675596,39207.74240796003,104691.7193457604,719379.9276351563,934250.7117357772,1387879.812462799,3959338.054864059,895495.023051003,818031.0720483247,84753.6663661988,523467.4597058386,4246885.560574656,867201.617709118,1150182.876791574,6426975.525857894,4898803.835597557,2123723.602964219,5474952.119487629,3233190.856068478,1098844.951327187,1070634.884724144,3959320.948418003,1234050.493122026,3350874.958913642,75385.60007169814,157694.2309961568,19354.89073590521,29274.77554210434,136372.8127596209,72343.3561018731,59671.24979477365,4212311.478050366,96507.18355617656,31236.60533592371,115077.1093018413,393626.9636648987,34198.26885565736,124042.5546270392,72419.99388493567,166938.618267916,27123.50105166553,25100.2384597157,5494332.73877104,6490496.318315676,8656649.00715396,5870828.281702161,5058379.100178232,5634678.904302229,6345095.408393756,4097490.256446114,2622793.061675401,5460443.525800901,2922608.774730546,5132694.393412765,4910751.193825181]
["Com_1650_neg","N-Acetyl-L-histidine","N-Acetyl-L-histidine","C8 H11 N3 O3",197.08092,1.397,196.07349,"cpd:C02997","--","HMDB0032055","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",17064286.89616879,9505042.986757996,5987139.046692366,7285335.470388933,27218828.62055821,12200399.3595994,13476455.42362314,6684142.281111961,13114539.76863556,19175917.98677351,10889922.07948218,9299139.886329206,19379013.52649733,7108906.974692311,10941304.87701361,5959974.675853533,7040808.958164273,9129467.17844688,9351670.99738701,19226973.11631044,10762265.12486629,9384596.19582567,17759510.52712629,12526068.08275051,11551319.17238743,8639290.302820522,5207194.641312663,3150158.66701565,48682652.04054418,25517353.49768697,8464361.264086915,10297414.53937054,7209562.347259407,18177978.32627402,5410995.880296564,19541614.14882853,6645760.658713758,6277183.856613838,5979005.935001762,4584974.4557559,10029067.63144957,10249820.59082529,7639737.543727298,8661592.96786312,6696206.57026291,15822384.29267897,7825698.575666558,3880767.389290638,38421649.20531584,8872999.132871144,8914567.832226181,9108341.101981292,13235393.59247156,37581928.22047637,14028465.16985647,4663770.446891754,8887396.868945291,7794154.507976828,18495853.1982428,19109429.88833905,27056229.51310872,12413285.80762614,15058982.25815762,24410686.34489271,9889311.35658854,16904294.53333091,12804401.91708026,14735323.25532616,13109700.90763829,15388296.03856069,16250471.84900472]
["Com_1690_neg","DL-Norvaline","--","C5 H11 N O2",117.07859,1.702,116.07131,"--","--","HMDB0251527","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",13012501.60712037,11365614.70618588,9003135.742566401,9949222.824199852,10959827.98132547,13070249.92960016,10501595.34484935,10844682.36427841,10333355.30849876,10824205.25881091,10059146.67553322,11920282.55648872,9340014.908503428,14342041.10719422,12508947.82657777,8266661.262340839,8252861.680673643,9481025.101064416,13136931.65162774,13273227.34524299,11164470.11768265,8420292.153872726,6354099.131661907,11775592.7944851,9067897.975442216,10445192.76499825,11981243.83555874,10817759.74168006,10240289.71747042,7385226.906352049,9930856.03169958,10449381.76324841,10062065.46794674,10637132.07230067,12626136.0716337,11332462.25428015,11201024.32828344,9375986.53761101,8552091.7047124,14441803.97957954,7991350.218989025,11064160.85645394,9456477.361771984,10592010.32068506,7030665.056581129,9114969.703626074,7835724.123736997,9133032.417060034,14396769.85501906,13405200.16127238,9761688.662252525,8901085.017628886,11071672.8362998,6596826.836032608,10858551.69441161,8287923.629099173,9632290.092080344,7180894.766084134,16717776.5195173,14468964.28649654,14971691.06014373,14541101.31277131,12798112.65919686,13316727.89071964,12918894.32293531,14147677.46518911,15580101.48121088,17693117.04608282,16197708.47726175,17201132.96147161,17430968.41341776]
["Com_1723_neg","Cytidine-5'-monophosphate","CMP; Cytidine-5'-monophosphate; Cytidylic acid","C9 H14 N3 O8 P",323.05114,1.457,322.04395,"cpd:C00055","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000095","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside monophosphates",14822982.58203002,5119201.509108073,6727467.817287132,5027369.477772425,4215426.821237909,4940364.713458225,2141998.769861377,3458554.017193825,6932484.434505586,3293654.103234961,4064491.998671512,6381662.143096549,2856230.158352958,7312484.136602099,4303436.283921894,5368316.435918178,4274932.583029766,2603221.432366023,6941006.278531446,9892788.070598554,2912339.258871301,6105257.290851285,4142505.699825594,3316490.165708265,3880995.246963089,6753670.988027949,4263190.871574233,4529146.457013209,3387210.121823685,3312260.778056441,6189391.059470555,9776569.15250381,5621529.86444083,6969754.100206736,7734500.711212777,7899196.506922722,4592866.457335542,7168704.96518442,5251568.448532155,5455851.143039634,4082339.360551483,7884933.867380871,6913509.230612613,5274382.405548082,4446557.087215084,9547275.597716004,5210705.580935085,4956168.407257025,5250744.252311031,9822997.18885026,7288883.042637844,6077752.734803138,5752231.903222393,5672942.734536826,6673155.306773486,5485145.93918804,2670658.529239608,4742989.720363256,8809642.21468846,6762257.028190713,6252337.338219672,5937923.60530697,4997566.079361787,3530397.385615084,3659441.646515682,3671699.003691241,4694906.100602979,4545046.957722161,4777299.48732137,5823309.841577118,6257690.298764098]
["Com_1745_neg","FAHFA (20:5/20:4)","--","C40 H60 O4",604.44752,9.627,603.44025,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",9127287.357484566,45874308.88532239,36944019.62885004,18223339.66860671,24693623.18063206,24754034.71740592,10045515.02149006,22960497.26732744,30464058.78465733,8136188.85178708,20302427.66175606,45002817.21071503,7455673.522250106,26555925.09017614,16012351.29103141,27634902.92960944,11246143.68251955,10906115.5847785,40947028.18872603,35251120.88141271,21184736.60862467,20646980.52169592,27208371.95137915,10417821.88293356,15901736.11786658,17340967.7234918,17042903.33169919,25214293.38964818,31785020.70868151,26244672.4863368,30841925.04784602,34907139.80476327,27423972.50151372,24330011.15484378,18232938.57752784,8731843.693534264,30618526.49057,44908166.67987033,16480596.85951595,18678630.6286546,19167039.2488782,8718095.685604116,25142784.27773731,31812368.88540506,10272403.20013426,24124929.14100102,11304467.12386004,25216766.11313947,20997051.55646601,29841425.1192231,6284180.581832401,25666975.04589599,2041254.336369129,21460213.06984355,15461093.21865342,45507423.35922798,6856206.673617648,29128139.05825714,15393722.5045137,13769342.16407527,15957421.53931294,11150310.79038551,11657084.73456124,11548467.6609475,12724016.67941636,11026481.67725632,9434052.528631492,9560993.805630969,7509663.65549119,11780834.19078369,10378570.39313744]
["Com_1773_neg","2-(1H-1,2,3-benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide","--","C17 H16 N4 O",292.13392,5.555,291.12665,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},553912.6879905318,1584502.062160895,1541939.732635985,2193465.35479414,1003686.982151017,1098154.886943904,1476456.037197128,1390539.150488066,1023623.910261981,1564242.358031292,1855159.990122094,1796213.751036078,1194587.804139451,1074596.9825715,2154270.728711583,2064190.108897274,2645235.753373209,924481.3180375134,1778959.321526178,1917975.393064877,1848162.858439142,2431887.006397394,1832664.736270389,1506694.734315817,2099791.213493197,2210963.88333548,2182539.509785253,2820329.95961832,1406423.23508673,2029569.590254813,1645298.936160741,1321628.187608838,1923423.268101517,738196.8522243239,2075570.353421195,2922015.674520537,1788568.359117672,1521284.567253523,2723934.294750828,2053072.26610416,2248556.781235748,1443993.140708665,1886233.636613461,730519.5607291297,964293.8189038022,484270.3751371341,1105932.977335299,2174111.633866513,1566877.388394117,1538484.538917353,3190708.916723135,2239818.654214531,1054598.332598298,2501884.153663234,536559.8698568214,953393.7657459562,1039773.304452061,1473920.158862919,3441208.4356295,2641562.560650133,3167380.822582135,3320054.854644336,3085475.679147211,3531284.57536922,3001932.497517297,2553501.448702955,3027758.864325029,2923710.562855576,2730839.797569048,2406296.111296519,2221242.028363571]
["Com_1780_neg","FAHFA (20:4/18:1)","--","C38 H64 O4",584.47896,10.204,583.47211,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",19539351.0715969,22785050.55677919,20344861.22750413,15276573.0659695,19781105.76918926,15567327.3734316,5183282.891111547,15802265.49587275,14671320.68199243,4716767.440934005,11082257.02428077,19802827.49044809,5383487.961534893,21633282.27882988,17740948.99529692,20337658.29019209,9389326.9640282,9358987.933830392,17747161.83484133,16665010.9335898,11398509.74278726,12992269.93242466,11972129.54468055,14485171.08271811,13928914.83391267,13174367.66464625,9767520.163577065,5331602.977365227,9847526.469650315,11283792.39506862,18225031.38541195,16470183.82484835,16579069.72443901,18428086.16287219,20934860.54365864,11698060.64702269,23112705.98337858,20019633.5932271,8605912.664693912,21470838.7048703,8508105.509588063,14607730.0103066,16867153.98510017,16326710.73144574,17427221.62567646,17200615.54856221,13214745.78687841,6925235.287398322,13964151.85130469,20940996.35502042,5201853.194651498,17247123.63692332,7702140.157609468,11746855.84928333,11567833.38807281,16379835.15537508,9123548.696391998,10615733.53840094,29365759.1815419,30333947.55829063,26512027.64394324,30782013.0504363,26639851.84608066,21946017.20583708,21577665.51034836,23888844.45677153,21735387.61950066,22939787.18706145,20398059.23395878,23758365.70687259,21871502.60972639]
["Com_1787_neg","N-(3,4-dimethoxyphenethyl)-N'-(3,4,5-trimethoxybenzoyl)thiourea","--","C21 H26 N2 O6 S",434.15696,5.617,433.1496,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1239982.882238825,1470945.992492295,488174.605314318,694446.1324806176,2369218.931642728,673577.7592636192,1420743.816488407,818370.1406266991,531729.1424550962,981718.677279358,587339.4250140686,568677.1800562919,904082.863532202,1911835.319405402,682037.2031863544,653517.8842444,837475.6110984387,491248.2686305394,618681.3155639506,607226.638431178,585124.1490695168,769929.8840218208,580217.4789106828,477016.1191685334,664789.1128255295,699986.12673814,690987.0348505074,892910.0377607647,445270.3910285937,642557.1069414055,520897.8935974741,418424.4722426737,608951.4232522213,325147.9594898247,657120.8437254082,392027.2152672071,566256.666398564,481635.2270267819,404668.5506473413,446595.8669544673,765655.7876540095,457164.9375277153,597177.2706772498,965255.5441213484,1095146.168457377,1589587.458190429,1046528.297558214,688318.7885415282,1030971.829011213,1031188.686654436,517067.204371451,728141.0897418894,403254.5055437135,2818160.383883148,2874063.173148717,3179493.678804427,1154454.727620449,466639.7632725021,5232911.6884665,5579309.309581554,4786515.909966217,5089897.563457199,6101327.213360715,4438806.340087052,4756963.088552773,5001942.090291305,5764893.4519842,6049523.184148455,4970363.780217181,5652066.914678128,5072084.769841331]
["Com_1788_neg","Glycodeoxycholic Acid (hydrate)","--","C26 H43 N O5",449.31345,6.852,448.30634,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},12044847.27269276,2871014.130327376,14740243.19667952,5740161.203086467,4150194.140256832,8632026.258804653,8817714.84860287,1548158.073443045,45980463.25380499,1827781.628040278,10358097.11010954,2057840.970655988,10559558.48316594,13570323.66790562,9269028.980798112,11209473.97824122,277188.0930415263,3887373.894145762,3379740.578758614,92412.35762968636,199108.6715155548,27464.3170274521,28143.77630157378,33686.53162716642,30815.38136388851,1384279.801612763,13005.0150525936,62445.58109539693,32551.37048833265,29093.10194201548,28921.25510555859,21254.29307997186,35888.23381660413,21007.00412552929,142673.7137838631,40356.41700411008,38167.66967895096,80892.43048848756,52836.6184025001,28998.80273756478,580579.1203965291,28948904.12411768,608194.0157936941,2616659.070106891,1098603.349355932,2569127.683919434,2519446.961437305,38291.10055081176,206434.8882090282,477515.3319921179,438646.7307191318,2725006.127188612,11523128.43792807,756511.8820077074,1027724.237611145,2214934.961981367,246634.9477582405,830112.6757920354,1440561.21820973,2129502.780783914,1649846.824355599,1698500.077770805,2448105.797701373,1475452.116657265,1298873.745919043,2186159.947764629,1922959.432308816,1910636.546062012,1724290.250951562,2440520.512922306,2279368.360432484]
["Com_1793_neg","FAHFA (22:4/18:0)","--","C40 H70 O4",614.52591,10.819,613.51898,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",2632735.165450715,4547729.794249593,6021796.670069798,5157820.136043067,3871481.850892451,5317624.63054377,804564.3133635222,3592453.070666927,3370163.556618673,840770.5997068585,4862180.892857525,5845513.178592932,913401.5160896672,5199579.55990532,4189513.840259803,4927860.298729113,3564120.035264326,943527.6102168526,3691745.3469758,4516123.570494952,2805593.705553931,4071236.224866613,2503328.909553514,2584665.347353554,3475879.34021064,5775472.764075628,2538022.083513477,1597341.135412881,1302229.68738335,1367449.366402164,3778679.071535987,2314149.122334043,3268777.882600968,3306256.541945732,6050010.605064174,1270820.814734223,4272694.615230067,5005076.555983466,1653694.54363927,5000351.502637104,1635379.213178783,4434173.172067039,4997232.382727351,5057871.568181663,6697338.8310668,2947606.500523317,3061434.331475105,1805239.993633238,2067602.264219458,4407883.375141723,2893218.409836324,2935958.685365346,1565936.794647519,2099462.099320595,856072.2502468114,6298847.305467915,1740943.766880249,2331983.409660478,19736706.174642,20119689.40436069,15930114.32349527,17608942.93136169,20038796.01116448,15209624.45988383,13643997.75362484,15908834.83271561,14286123.51698995,13203490.02778506,11507147.62194941,17076905.77137348,12292848.58219459]
["Com_1839_neg","15(R)-Lipoxin A4","--","C20 H32 O5",352.22414,6.478,351.21701,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Lipoxins",5402382.520322514,6197532.888932101,3944609.489151495,6778674.901656634,3727409.102608447,2249065.136561139,2015973.534410433,2524829.818542464,5382837.171864816,2109723.12271374,2442078.960873287,6330363.894918113,2457700.65569049,10489087.82513039,7626853.620917899,2916561.862527256,5378129.189511417,7923809.190368227,3110855.721423995,5801245.072512507,12455372.67608216,4807356.5836678,32167148.935654,4385497.159594244,2519106.553764744,11917036.76821272,5339894.726589153,1387981.405623962,3109331.601320085,7336521.432911701,33173553.50547726,19958657.53278234,23565028.55058692,40917169.5944063,27147990.24547825,58107304.30176584,8993147.004535917,6028795.200842177,7616235.519185657,11152888.13539644,7005413.144805497,14593338.30833537,19054982.53336225,2774260.190507091,8423299.607330006,6415871.266668785,7468125.154302914,18169698.48257902,18075792.60237968,15298001.0562603,13917168.57615747,19705907.71083918,17894982.80911158,2063150.411256653,16024906.93772876,10496578.65485607,49145687.8409357,2610971.084936913,15073962.1486017,13654984.65546954,12599812.20879469,13464599.62439626,12291514.16377183,17672711.63685748,13927866.52631992,10199626.03086844,10533327.39742139,11119390.99065221,7974238.26749404,9756173.45053892,9192730.989578385]
["Com_1857_neg","Ethyl-β-D-glucuronide","--","C8 H14 O7",222.07342,2.769,221.06607,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glucuronides",570731.4781516638,2232367.792329601,580581.3680575035,280400.729797548,1028171.63750064,2170689.354729315,2836287.297344711,4711214.743852179,1009644.81976279,3622575.142975504,844785.4944905586,4130344.293875131,481996.9681675572,947630.4063264476,1391578.818617151,515309.7356458443,707970.593298727,3682996.870942182,1190752.041845407,850500.5766891519,1432715.468406212,581524.0473705174,1123167.911653746,1461541.918798258,651481.1402606786,1373318.887847025,7347724.341860559,1208072.017027228,1755183.169196599,626255.2938405711,5214578.370226101,7142243.327625099,3925344.434581026,3185753.860564295,370398.8289220214,3161663.620399785,933384.9524359662,3882951.797310857,1178978.011794709,5753010.399927715,2685469.267247481,1002954.89105427,658315.8434088355,1246164.998442952,789187.9290242294,1128030.740929363,566703.4788949208,415531.8024733077,1176258.78991264,851261.855645525,883014.3825210284,2796061.650732416,754005.0989325584,925818.1488108772,890179.0316246578,1560531.621949499,566992.2158676445,586900.9982792656,3487601.05774682,3843988.036166535,4359967.031874516,4675155.396662461,4527101.825380758,4426821.200903154,4976501.504124513,4481529.709330495,4520801.26337598,4596782.949999714,4531763.692636725,4475800.536400311,4649522.205254819]
["Com_1883_neg","N-Methylthreonine","--","C5 H11 N O3",133.07337,1.334,132.06602,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",675214.4804123094,458193.1434560378,385708.6135933189,387446.5059305084,493273.566449456,366849.9574484219,435001.9598635535,609625.2984171622,372982.6283254832,523323.2278668888,444059.1108906858,435038.2323104602,506836.9317909937,455408.9028681981,340125.4496715171,305790.0340659681,290420.147056732,324441.6695942003,326569.465625346,355788.1914233426,619086.3282146932,378236.4829964208,529081.9466677741,605776.731239638,336559.3054925209,322844.6152108439,354335.5431506559,272524.7781710105,377732.2719953996,364142.2307694189,392931.4696267445,504466.171828369,445909.0376995027,514196.3666881385,390171.204006003,484278.7056423288,335072.5891375912,623767.8628939461,722181.5809318456,380930.2199447278,409407.5678781798,465900.6931574707,367103.0545046769,411366.7774014453,415669.7062309654,446094.5862474697,334756.1340816598,319359.3332872755,402005.6810971524,522056.3288857502,529883.7873700187,306318.1925153536,392707.6758470667,469503.7145010922,592803.5657722298,449965.362578063,606474.7727734628,326521.5251758653,790518.196114614,843967.6409027877,477297.7931310316,790779.8097706166,769736.9749357238,549162.571898438,740055.0049690048,698644.8323341367,526959.0132990455,438958.7388147754,980925.5675473668,753606.870644724,803449.7133645108]
["Com_1892_neg","4-Hydroxyhippuric acid","--","C9 H9 N O4",195.05264,5.029,194.04536,"--","--","HMDB0013678","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","No results","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",193424.5477408861,195294.3728673657,138667.215423833,108085.6074265204,181510.8662012268,296049.2775063306,375811.7927347554,159818.691079885,194154.2709616897,395340.5641629491,166962.467387137,107642.9913300115,248174.5464405045,193643.1519624784,217497.2006606777,133158.7266419224,314019.4369716885,181250.7103005523,230446.9241521719,245383.5760214783,228399.6476892558,171726.6615066806,266855.9279380478,1042083.79048055,100072.8459017752,677899.5492429076,263789.4197478493,632484.2928097324,240786.1689323494,176696.7176776211,442383.4097641943,326191.9395808871,833623.244269342,742458.7729630312,147882.7507993873,1563535.941705628,199348.8671151662,444597.5221308596,467730.0498607539,2065338.442915634,150354.5181796506,410267.6977129258,583446.0288448281,283064.6922576944,299147.133706189,440516.1282010125,159765.5591737358,435899.3737524157,444673.7896592449,733196.1634319286,1163207.630652144,315796.494862668,297409.5633150569,163516.6287903246,623470.3004728296,281439.3496453538,158415.9211603319,116892.8310142119,6520087.97305981,6549517.301116942,6767170.477080962,6845091.456300485,5776777.259610217,5295085.791564377,4851051.410631804,5679785.482937209,6556083.671537787,4860703.071687994,4910959.34130128,4876621.433788627,5389768.598388557]
["Com_1908_neg","13,14-dihydro-19(R)-hydroxy Prostaglandin E1","--","C20 H36 O6",354.23998,6.622,353.23273,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",8376347.21886229,7273717.101091714,5055013.209162115,9796296.665978456,8511449.093567228,4764918.392289415,3939880.88270136,5646312.353467873,6808635.482834959,3369518.068064532,5216002.080442522,6584526.809112982,4453752.267220143,11609395.77943522,5819796.071055147,3724865.564688741,3564266.695574818,7289392.136009681,5926094.207502291,5543076.853900173,4693959.424318125,3937905.983019281,7944301.17607842,8917013.92375219,3740207.217232414,4397642.747752628,5299572.971396113,1828298.580463726,3246264.363613993,2637938.492635449,6758916.462659199,5303524.434176098,9249485.463265114,11373066.64709547,6323514.104991683,9768122.19374427,11414671.34262172,2882140.959794945,3589383.018714434,9056936.248347675,4793822.212980008,11943375.20491101,9025088.361090772,5643406.370498527,5756404.28318089,10486347.23678027,10147566.05748148,7629920.356170446,7059617.548786383,15012388.90670516,8607123.626361927,10600599.33292374,12567380.86255702,4382460.547604521,11552459.44253126,8538125.591527393,9439347.952869616,4487524.36349518,9034115.72477182,11793262.07801165,12077789.78192657,9444422.7449272,15521693.91802928,14022997.50961801,10754788.89723921,8414827.041508757,6995638.300424364,7991893.646815078,5992677.798832908,10084628.33697438,10143196.20683739]
["Com_1932_neg","2-Deoxyuridine","Deoxyuridine; 2-Deoxyuridine; 2'-Deoxyuridine","C9 H12 N2 O5",228.07374,1.433,227.06694,"cpd:C00526","map00240  Pyrimidine metabolism","HMDB0000012","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Pyrimidine 2'-deoxyribonucleosides","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Pyrimidine 2'-deoxyribonucleosides","Pyrimidine 2'-deoxyribonucleosides",1796197.989738605,1908038.245294081,1306940.839011457,1267593.661880415,1476485.759431796,1532086.616729022,1167294.453646496,2646367.729800597,1575908.292883707,1288716.902389447,1633960.719659786,1779987.900305959,1507135.716759614,1303408.284965041,1261013.763651169,2372166.07061453,1668124.983887045,2243726.263401127,2513512.495455044,1234243.638654835,1610755.534401124,1228574.120518359,1556593.611119289,1418494.226148533,1296848.410904191,1493079.301594514,1125758.852383443,1224781.497693031,1606661.232641314,1968024.207109004,2678887.71627783,2600422.308025671,2117732.275155166,2850673.387250924,1168855.787594877,1617282.035769759,3568051.370596225,2844538.95906478,2794068.55028931,1500880.795446672,1169280.51211164,1335625.122563806,1804610.760922976,2173301.138841111,4544618.987116266,1556011.65356442,5350787.664737433,3173033.265818001,2146975.895255718,2364589.142595841,1351479.43043671,1416524.769564412,1471048.354566827,3039216.29656595,1725677.729630544,4620023.316490534,1474306.212681232,2134476.079625431,4070142.08154202,3820191.186735284,3113824.970134385,4755262.211336491,2844790.621869164,3824526.195311255,2888512.973371549,3582924.058502754,2709405.362735566,2522961.559098068,2632686.511801097,3485457.485598973,2538267.743624038]
["Com_1945_neg","Pantetheine","Pantetheine; (R)-Pantetheine","C11 H22 N2 O4 S",278.12928,5.356,277.12195,"cpd:C00831","map00770  Pantothenate and CoA biosynthesis","HMDB0003426","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Beta amino acids and derivatives",15192124.55466338,9474973.17859554,25320233.15753099,10156476.07823731,26144690.40432684,18609060.05404129,16693486.52806474,18064985.78836337,11688903.39206045,13419735.04123804,16205005.61264468,7274700.405634191,11645284.82584213,8045510.377109964,13922160.41018572,13111442.11004192,5592055.928786973,11600397.24935756,4472113.410949438,15192283.27237521,22610949.4987852,8483498.353346953,38342921.76761635,8508177.815280026,14363942.85659363,13917437.40140038,18027441.10635461,1861434.297124213,13692127.57517703,9565747.51113068,43541469.51443876,18490731.95390031,11502523.9429252,38432006.05122343,7953158.411041103,8342291.415903326,7417049.319445447,6217263.541485684,26385083.54738402,8202507.823389002,10094190.48163802,23810570.54698095,16003540.7668184,30246533.51872197,19785467.07685433,26131695.54807984,10812742.08893396,11003255.11510992,11983841.51984964,6818948.611954748,13780354.27490352,9277484.389399843,15821019.25645652,31793401.56503304,26892757.34169501,9733405.421071902,12475113.23787371,9524966.673546009,894427.650742094,1094116.187250024,867566.7333001486,740575.7788048758,987501.8531184735,877894.1665579563,532136.1461011047,414981.7040196972,561829.9646284373,701456.2244380737,453864.5957032317,697255.5804789927,502493.6878530776]
["Com_1946_neg","LPC 18:1","--","C26 H52 N O7 P",567.35225,9.779,566.34552,"--","--","HMDB0002815","LMGP01050138","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",10565037.22647188,10987407.00205707,13801279.68672271,3077352.890194648,12344664.51462137,16106567.79542644,800606.8822087236,9370243.128850486,11755188.98818476,11101005.14509841,12282686.14290445,15596087.28907291,8320636.588624516,11051977.01337004,11950787.06116449,10297668.33842645,5652638.426750939,7006063.766941963,6597271.442506487,4357407.928669066,11891356.90140104,4919241.377007365,11610671.33732348,6760570.845060024,6976193.399537751,6910699.32824279,9869530.263655394,9096994.79006682,9843082.930088948,6289145.568014422,11023433.38857371,4772751.252949228,7854796.807883512,13980815.32147797,7879253.606655395,6099319.545448828,10529186.54798049,16273278.05107414,10606353.74755396,19966297.44041933,7125882.763281654,14026714.00674757,10573982.29362567,17232108.47360389,12430225.79687033,10625966.10829121,5130019.236343361,4681701.055924504,8300304.852647108,6703795.300939957,8455283.848263934,5399066.863239827,5077018.288253127,5086974.895806855,7606683.272573296,13476472.45216483,9464331.752956828,5247033.974957681,12914960.1741048,11705964.81924487,12058609.66793072,11921568.84451288,4686603.951624656,10182204.86857379,9613673.684506644,8432595.367003115,7278298.857413904,7064952.797753252,5143942.853674931,7120037.7371184,6801122.427017357]
["Com_1954_neg","11-dehydro Thromboxane B2","--","C20 H32 O6",368.21907,5.87,367.21182,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Thromboxanes",722655.6661842713,728372.9145442583,847340.2581917385,883063.5284339115,829966.4689429125,843566.3790914112,759174.0978695069,754866.3711777492,798052.4159712027,519975.7122421918,631691.7998414536,588512.7545375917,600183.0829498223,850535.4075165086,734657.5878928986,469291.8254036652,334055.7275239245,600295.0497984851,671860.6860413678,1203848.813237188,631434.4363503428,512047.8591824251,1226281.308077711,850880.0817335432,432463.0415349946,815687.6450679168,607229.8471384976,2020885.971489496,879882.1615932415,558560.608715614,1236711.871174694,1131961.2605057,912912.3213240874,1361451.497116007,959485.482209068,1981086.408111297,1274261.184673757,1195295.385597116,1282106.826293132,1235890.714702112,672440.1742543261,1008042.132566647,1096501.842077593,1055657.40261928,1290123.738256165,1062742.631900572,1071771.122519284,913243.5080296132,1120645.964750815,1289684.745116181,867670.7395376601,974017.8707013554,1151041.072123468,990789.5731272688,1249785.222762938,1475114.705453919,1232131.32857296,758837.30787006,11778297.3380983,9912577.21853486,12812027.59658082,12113580.39531531,11957690.93077888,10300681.65375252,10348381.4331982,10460069.03867888,11650701.74056818,13556528.02506124,13534993.46512285,12074086.80673838,10453513.58930698]
["Com_1981_neg","cis-Aconitic acid","cis-Aconitate; cis-Aconitic acid","C6 H6 O6",174.01577,1.461,173.00836,"cpd:C00417","map00020  Citrate cycle (TCA cycle);map00630  Glyoxylate and dicarboxylate metabolism;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism","HMDB0000072","--","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","Tricarboxylic acids and derivatives",17611514.02735627,16920195.01359243,13174779.30601112,13969473.31982374,12426760.59001866,14952914.3484659,7679885.342926764,12921630.81890997,18335481.31030523,7723112.140991101,9559629.752959864,14721213.08675183,8204368.217295661,15526082.10411739,11958958.09293625,15739181.60716261,12648818.73291025,11194809.00349313,18632115.87822347,12719934.86364684,7401884.289354897,14851634.89507445,13964761.03248588,13824079.32522626,13945473.67768888,11889949.18348251,11126364.80439445,19741919.0252892,12198171.38558361,15344345.4275023,13990375.38965729,14102047.47633327,19574540.36719689,18332410.92740063,13238084.8475697,18060046.36190614,26294913.49124551,23501286.09103391,18349214.92426996,28863279.65429818,9823717.43764028,18251075.40695735,15377414.12494448,20046546.11632968,22100190.463868,20990089.77738973,14398850.0183382,18389464.81198581,13571746.58393894,14413981.2335705,14515809.8767856,10891916.57781667,11905247.19492455,13577625.02896586,11998660.83347161,21183409.37048697,12839428.94534962,13313675.7426388,17719788.8060135,18374026.53521616,15067771.36508639,17849959.03625548,16681546.22323767,21134015.40616651,15513944.31837918,19047527.08321382,15064456.55686416,16060210.21398515,13275221.11874082,15126800.53083479,15623313.69447465]
["Com_1987_neg","2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside","--","C16 H24 O8",344.14633,5.669,343.1387,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},238583.2378104394,678844.6794953056,578239.934127192,768767.6134688293,430046.3812561555,348741.1849323272,487991.7111717418,497974.5508360826,461531.4010117798,576950.7728794997,634600.4668818774,753697.3260618817,405404.8238193819,465323.8502928531,821509.030440741,735040.8855918535,1153698.135411874,459233.5304954401,813616.2036912915,681206.416182826,698065.8737309262,1027082.123317759,616852.0727856238,554980.6598057449,857345.8340942397,835842.9172887733,844822.0972359254,947965.6954272748,679958.7455410074,856993.3431602805,767738.0556580044,1266903.963143721,686847.8121402264,1045850.662913275,811970.7362921226,436563.0362881588,737480.2147859405,3436658.877496022,11151015.3937613,44750805.89678501,958012.9261942308,627675.5443381246,740169.036241893,332444.3595421409,361599.8392167513,230744.9178724728,500334.7686161773,837595.9772983949,721635.2890125958,494770.4341115944,737005.2891472381,862954.2549563934,2085988.761882605,196460.6205506853,311146.0263452857,1618661.395350508,3511090.397688425,578749.2589688802,2156298.5561297,1245695.358568654,1583698.639082869,1998159.77216366,1803951.505499267,1542716.829009786,1167734.994656354,1535955.046055237,1416087.527000085,1135157.325202678,1213586.271231205,2346302.457197952,1739798.105156813]
["Com_2000_neg","Trehalose 6-phosphate","alpha,alpha'-Trehalose 6-phosphate; Trehalose 6-phosphate","C12 H23 O14 P",422.08179,1.485,421.07394,"cpd:C00689","map00500  Starch and sucrose metabolism;map01100  Metabolic pathways;map04723  Retrograde endocannabinoid signaling","HMDB0001124","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Saccharolipids","Not available","Saccharolipids",6012603.705856412,7859058.550395987,9079108.03041898,7822859.591614671,19804636.39951662,8146914.375969877,16270566.21872388,22949715.05977856,5980800.467745274,12667381.88715286,31414292.96010233,9768991.537705546,20696219.9239996,5506300.209003698,11116983.69905958,5295918.287574411,7128782.81289287,15525098.84665528,11334387.15049148,6373641.16256973,8915739.790529303,8332806.915016688,10938484.59902189,5473776.505654926,10511184.23851575,9862498.74040956,16831343.17984964,4150710.65414813,15898547.19980459,10561723.78965068,5812748.466730405,7234432.207040546,6848336.795408683,4275897.208098772,3262463.599872154,2218289.738674853,3151515.476163802,7716233.295611067,6487593.471002108,6776704.564632867,11205609.3139963,7515984.928541088,3242955.759170005,16460297.41607262,15616347.00957104,11590109.23665915,6927379.4297777,3200960.366857348,10888302.13349866,4196567.668169395,5587343.381336616,4787876.2111869,4084469.175924811,9739035.251843918,2094193.595285005,9904585.955919882,13225169.2041877,14950274.97089479,7902429.01738579,9204344.5426213,7701956.812543781,7932321.46944396,8938384.847491924,6288133.638997228,7691783.098545135,8335661.484553223,6812475.944362031,7386298.154842692,7230927.778525099,8158969.957308619,7575343.699566868]
["Com_2022_neg","8-iso-15-keto Prostaglandin E2","--","C20 H30 O5",332.19823,6.566,331.19116,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2598822.174010218,4073559.248438181,343221.5945030458,13392460.17105281,229393.4709686299,336291.0491383321,263171.4735598507,216052.6832685069,382439.2978311692,534639.9014521614,244126.2111060585,186815.0033154567,232004.8041813229,280420.7388320272,501724.6699092221,670785.2039016645,135968.5395319498,222790.7255022829,236800.2716550186,383790.0648230144,464939.7070616069,955830.5996120758,264696.74003064,416807.1653480684,348384.3522820874,209314.3834163087,539336.3341509815,331289.5662397516,364602.7864456819,280420.4548016175,1256412.270121164,2337780.360643589,518752.9549994575,1726068.416779223,3701716.017069055,1529267.151123119,8846624.799932143,3813927.238282068,8367550.261712668,14852591.56252937,428768.2205736085,1067293.554913766,4194213.741389118,264647.0724514466,1903209.804748952,314145.9882446316,987783.691193103,6610112.232889661,369892.9501289523,295640.8748116153,328310.0056075318,968715.3431008508,1039936.985452553,604534.4815335019,454548.6604362209,428405.5649875589,975330.3499097947,1605642.503244557,3894874.18832672,3984976.091157448,4051182.407314721,3567172.103996397,3789217.017066919,5140359.253676224,2914637.794859503,3444387.874384702,3469606.269106919,3405848.238687834,3456516.797140806,2622494.665219202,3258354.408174312]
["Com_2031_neg","(±)9(10)-DiHOME","--","C18 H34 O4",314.24505,7.377,313.23767,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},12495354.15841537,11795916.21148857,12151028.47338946,10138133.12782074,15764657.38432316,11334901.66258224,7819608.272161167,10324760.90993003,7557557.328278205,4294503.915293858,11682239.74014373,13868900.38187064,5781619.873822415,14078942.79717033,13749601.90198142,12438998.24690345,9257897.341169648,6962908.365575507,12085216.56018259,15597097.35685274,12594863.44990928,9070403.369007863,8979384.754315285,9695978.20732727,10428800.39562672,10179514.24491004,9529284.342263233,5406043.88112314,11620422.85818483,9146063.42646216,8864519.286833918,9546515.81456082,13699243.0438342,11000914.77280602,10552566.72654906,7219945.786631893,9559737.575995645,10688347.90439555,5474573.727821822,17282656.07602831,13241825.93569693,5545134.184732576,7812149.960584397,13304735.08336467,6169575.840617873,5827752.933631445,6722579.833269124,9188926.228278097,6919496.800021964,13359898.08351914,9524699.830742167,13362039.7210777,6272512.739873862,4716625.504910194,9957498.540983057,13073316.48534614,7613549.125181422,6486851.660286556,6785908.85164005,7445226.074181347,6265595.274523734,6015599.025638248,6800380.865909033,5912257.85418764,4021436.969973396,4799021.861859459,4345295.80166986,4591221.525840268,4054303.966639432,7640394.554830463,5488300.635452565]
["Com_2051_neg","Prostaglandin H1","--","C20 H34 O5",336.22951,7.577,335.22223,"--","--","HMDB0013041","LMFA03010044","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Invalid mass","No match","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2272708.724945127,3155253.78710034,1685573.772512935,1492536.772336775,2202140.660662049,2427109.232926445,953394.4577819234,1636102.336021071,1299878.411642211,975345.369847156,719755.7655906058,1504125.588529152,715280.2653274852,2267550.532579865,2123763.925788098,1373160.444946573,1928010.447024808,1224769.981985729,2029834.355333888,1286222.892937228,1482465.447690683,1721151.403420273,1657313.651991282,2063932.016506497,1126528.111383696,992012.7789686712,659191.984652545,1122980.356045553,1312318.717160844,983933.353664818,2688834.239057642,2754745.505025982,4183688.873731442,3539531.721993513,3302955.518928696,4138207.750809978,4407303.301487395,1846922.614368772,1285994.556576788,2243369.994884359,950820.7015331537,2777392.917609578,1999502.176669365,2873996.111844993,1617718.329368335,2707611.513854756,1932131.596385744,2284511.570141487,2835413.991300276,4600261.630446416,2339655.978786516,1735251.096069044,2412751.906158136,1978738.179398843,4181171.658132675,3141407.854123845,2168020.830393266,1511425.238898934,9545739.3425065,6785606.968934862,7719319.653679511,8030626.712190212,9173263.8733433,7150160.588399471,6515675.268604779,12225877.36317696,5791677.499013213,7252054.011626418,5196220.11884468,6125958.974025252,5815789.738495533]
["Com_2090_neg","alpha-Ketoglutaric acid","2-Oxoglutarate; Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid","C5 H6 O5",146.021,1.463,145.01376,"cpd:C00026","map00020  Citrate cycle (TCA cycle);map00040  Pentose and glucuronate interconversions;map00053  Ascorbate and aldarate metabolism;map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00340  Histidine metabolism;map00430  Taurine and hypotaurine metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map00650  Butanoate metabolism","HMDB0000208","--","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",5322375.557710419,4247824.163440114,3319219.571859079,3273458.159913376,3644151.748607507,4790312.113183749,3379395.351505122,3170185.906357042,5109851.800030579,2413801.751178458,2024014.44741557,4584319.530092913,2127804.77508186,8408790.94837279,4766841.864434513,4531869.698529812,3799034.309269078,4524246.20511704,5656102.444920031,3604783.34257017,5855231.814507315,3321254.268156644,5367899.200722487,5308410.139695423,3006021.384961216,4577227.237488427,3510968.625019016,5584526.804545145,2799126.949339167,3850454.555811261,9785896.497401854,8542986.70806019,11925435.09387546,9876393.5913928,6695941.218463739,9179831.114404928,8119093.963309508,9270325.18880271,5536433.376041498,11739521.18757491,2587330.71417911,5486312.998156614,4504458.459677109,5159758.934624872,4001128.271156565,5865116.091860288,4732975.260702646,7082064.224841019,5235729.553983795,6007830.640802543,9462297.854578922,5371447.351175051,4995036.106352341,3511746.258242479,7284345.7127765,5399462.981003826,7086224.974064591,3926521.40203451,4889887.45626646,4514435.520082795,3392000.80723462,5114519.982064402,3924585.472817223,3883400.422374292,2912959.149824452,3455324.068120153,3607703.187928855,4437686.173986699,3349025.831703882,3577335.773564942,3356149.436154779]
["Com_2096_neg","FAHFA (22:4/22:3)","--","C44 H72 O4",664.54121,10.843,663.53394,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",322423.1045108371,879199.7190901862,1264963.272039272,1110861.783522561,722009.1058270327,916038.1554668956,53460.9357016665,586705.7469673264,554240.4312250405,44803.51734328409,903699.4138423592,912735.4451246372,65888.04685087773,671770.1584494682,688251.8725720907,1196255.78336802,494302.8264491013,92345.1418728725,433610.4234866187,336819.7775409389,262173.939742175,543613.1579927464,289138.2478161567,359840.5254786113,577179.0189176396,1334494.432688204,200034.9114423436,182803.7937818852,87976.65685057877,117409.6341165349,528229.0538896958,190077.0901259241,404243.683171842,437328.0839743188,1274202.344095377,119957.330148763,946426.5164467704,979105.2813239812,145602.304803919,744568.7581942225,139576.3321109524,1033872.61135052,817771.7791629593,814002.5225947484,1305804.799840766,497315.0722867526,468517.4884027425,148782.9825710866,259234.2619360556,569872.3683140351,296980.6104308425,377241.6133888882,191246.1716648345,306767.8485498145,76288.6007431927,977346.418323971,246021.6060256045,331235.992908899,5959514.80324137,5062033.229570304,5238365.928227985,5335080.738051936,5905768.534706734,3943177.756742525,2627251.583703293,4361353.490274184,3096132.627007298,5380932.560315475,2748316.089141556,4335495.025897561,3411374.434743789]
["Com_2123_neg","19(R)-hydroxy Prostaglandin E2","--","C20 H32 O6",350.20852,6.242,349.20123,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},9990034.930572528,3394683.553808538,3099892.728697933,9414621.649404766,7501204.94110519,4126646.778286874,3722106.619940823,5166770.797923425,6804773.811690164,4827332.730333912,3876715.364355153,7768407.287816858,4934738.362298542,8490216.838469533,4596179.527301146,2351100.132858798,3887998.417858287,3575311.704097397,4525413.707336178,1583832.202856211,726374.9351805517,1447580.295334624,1002369.515838478,403980.947288688,422388.6613676208,5743621.402356479,736412.7480597149,433760.3631817292,779430.7467783011,655886.9770250905,965166.4535882422,727515.6699887866,571940.619860787,908638.3244527698,1426273.557699308,1506439.535090493,1727828.35650446,1949921.73840973,2956167.697645344,851437.2185098681,6530321.227579146,8708269.398611538,7371000.683749376,8103558.597036689,6609437.129312968,9062163.466017889,17171577.80801026,1209206.07608396,8670884.763023522,13497933.57182791,4450013.320751604,5034851.371597898,13791802.86660946,9092024.078908851,13662118.79070635,4698143.016386969,15075077.8368836,12464288.77381778,7565068.08560656,8719921.619043643,9183596.70802006,8618799.288512575,8090701.27108647,10167088.68716012,6276315.354472448,8813746.844450725,8339295.649010152,6923910.210037151,9355115.743659217,9135008.70248004,9037321.064109536]
["Com_2130_neg","2-Furoic acid","2-Furoate; 2-Furoic acid; 2-Furancarboxylic acid; Pyromucic acid","C5 H4 O3",112.0157,2.271,111.00843,"cpd:C01546","--","HMDB0000617","--","Organoheterocyclic compounds","Furans","Furoic acid and derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Furans","Furoic acid and derivatives","Furoic acids",1256975.48091115,1402485.840679393,1104232.535523868,1138152.687038672,1280810.792223166,897822.5375772844,1430631.263838167,959150.2867364727,1081616.553497762,920718.7923725146,948543.3545247515,954525.9298638328,2161527.689154312,1102488.578106231,847350.6582174228,1033156.452831601,633112.5647702942,977194.9264534916,1170723.267594613,886365.0778215302,1190855.712669562,1231998.327252431,1172974.970280468,1476943.397562581,742243.3225820244,953635.2522280208,961754.8027256876,1326845.483700988,1018466.953144954,1284597.584760439,885572.5627529363,1267914.532304433,936138.7782526752,1634982.903528865,836530.2822548917,1160700.024652963,1106838.013987838,1065284.802379931,1326460.171653591,1635721.274170663,793887.1730134094,1558955.277692813,1241462.753995511,2329412.634426095,1889053.933607552,1691479.428401462,2366246.327950175,1694912.926581479,1290531.376388214,1641063.330355889,1260126.805155394,735950.0559591781,3343150.112714756,1701341.939442034,1767385.008951887,2007948.034258081,1885284.20446069,1685119.149199336,3751634.74374408,4088670.048098164,4473695.125908156,5734641.202130186,5813539.723203989,4951200.03528923,4420288.868118433,4930107.060588575,4786304.68319387,4973684.803149216,5443951.215345422,4936269.435081595,4489215.40510687]
["Com_2223_neg","Deoxyguanosine","Deoxyguanosine; 2'-Deoxyguanosine","C10 H13 N5 O4",267.0964,3.996,266.08911,"cpd:C00330","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000085","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","Purine 2'-deoxyribonucleosides","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine deoxyribonucleotides","Purine 2'-deoxyribonucleoside monophosphates",293180.4228763239,257227.4734084241,247606.8154676948,301028.4645913505,211366.2876909039,230860.5813491803,189434.6465220424,196468.1512115598,299297.6974199849,139518.5453974054,181305.9164440409,233193.1856610856,148293.701180725,277110.8336023399,265953.0238090595,226559.6960600428,168097.8681894602,177595.3190509918,257755.6073365662,288347.0487539209,160976.9334124133,235070.5669826169,153876.0787262153,297315.2789570173,210544.2842840899,239007.5125348422,187924.5580144682,202185.8636589638,115454.3329991663,173485.1758701645,179681.2556622119,284078.8476496306,206021.0313769858,293047.0895075896,338942.4681356029,207278.8433774356,179916.5114285552,200427.1323940917,195639.6594425885,236226.7589833823,186106.1979466729,259280.0628965273,202491.4613296056,203241.8211514562,184968.0376218297,261092.7899170053,241427.9522661886,279314.8905255543,206210.9334385819,290282.919817553,186269.1669328946,235414.1350393362,232714.2944492593,217519.5683226998,265840.9243493445,234254.7184972846,212344.6420658556,196153.8070067301,2814933.2922549,2863644.655620025,3004216.982355384,3023583.379495621,2762068.983188196,2406392.983981267,2434563.276894532,2961071.623184884,2513169.012435836,3191136.434026493,2834616.828890791,2567661.874330678,3081043.911347912]
["Com_2244_neg","Phenylpyruvic acid","Phenylpyruvate; Phenylpyruvic acid; alpha-Ketohydrocinnamic acid; keto-Phenylpyruvate; 3-Phenyl-2-oxopropanoate; 2-Oxo-3-phenylpropanoate","C9 H8 O3",164.04683,5.853,163.03955,"cpd:C00166","map00360  Phenylalanine metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0000205","--","Benzenoids","Benzene and substituted derivatives","Phenylpyruvic acid derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Phenylpyruvic acid derivatives","Phenylpyruvic acid derivatives",206011.8190353466,229639.3191362736,156732.7453398625,175316.309073947,140871.6162553227,129041.430368733,106150.3687777053,131141.7281624847,158258.0710112728,129001.7350268754,166328.729691824,198172.9764118972,121096.322395902,141515.0202104013,140224.8349820812,161907.0852343459,190512.430412395,120448.9811783965,142227.9843458674,187603.5800445494,145055.457942858,260640.0263314644,142223.8599007208,162502.2488579901,130805.6641095897,137948.8838397284,172701.1525798063,234332.6773146532,134437.3607071527,159969.9343278305,201194.5715952967,218602.0588980582,224524.2210223462,206020.7601187634,186956.1849355056,202892.8255518324,183506.481967038,211862.4010518703,237635.9430966717,175550.0527594453,165455.3834812552,273689.8598198736,219413.7088543596,167050.0462251713,201356.036380232,171463.0046701971,141635.2737945406,153843.414140858,183527.7504227713,326131.358930763,202698.7534856616,166015.2592945446,143290.9570943669,157903.8088375519,195184.4926859924,144665.7686966273,173422.8430917341,128457.6611439555,596978.671487537,839770.1306113759,653934.1779680516,668757.3188457878,562514.9138488579,662657.5945189194,617737.6763847211,576986.4628366138,751017.545914755,579044.1607180507,823643.298636781,771038.0931280657,892194.1779368718]
["Com_2246_neg","(±)18-HEPE","--","C20 H30 O3",318.21894,7.689,317.21182,"--","--","--","--","--","--","--","--","--","--","Full match","Invalid mass","No results",{"$nulls":4},424724.0645574647,1153555.401794412,1335516.574276822,764078.2561525004,1453728.848926766,972723.9923818982,670847.6115439053,898913.6585084917,778065.425142458,595522.1472026128,4542155.40180852,6107646.320263215,420618.9448367421,988983.6281749066,1112997.712067879,930597.6830644474,545761.8863100063,581886.605049829,6082041.591687462,3799298.417512544,1080877.12093573,723574.2965161277,5882459.834168304,1200647.024164676,1090470.046741291,1110464.400033413,1354191.648271496,467477.9776417263,5035638.18486041,735764.629795745,1195324.05017792,2167630.667863367,1253352.251220029,1104897.931040788,948416.7697316298,1435272.780753882,957831.1661263618,1903688.130863606,1196145.841233939,5450572.479467419,1398881.057266614,495586.301578938,1797138.772497818,1219146.043657789,769118.0926831815,905338.5929846674,643316.4086302368,1365513.294875442,796347.0778506685,2966410.847928083,1449661.894252108,1372629.105199294,912627.9806945692,1441229.714951334,1435320.207518999,1530883.509025254,873357.4392784813,1183106.299353209,1522909.08302827,1877578.372976652,1097354.509708554,1120581.288064843,1134390.047653359,904603.9753641332,1200017.881474006,1083343.327897076,1179320.770433481,1418184.486058805,994668.5233169514,1472580.015937751,1813820.863073945]
["Com_2260_neg","4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dione","--","C9 H17 N3 O3 S",248.10023,1.438,247.09309,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},1242425.966107548,843349.1784803742,1055805.606693459,1101239.787870769,1372839.961308885,794356.2341677429,911398.7286268724,962919.1991152508,1306157.421793025,3290155.689231436,1271098.276430819,1203785.130505932,3287275.128411665,1242291.536515123,816005.900988576,497878.9311465654,427149.3218221142,1784760.766461159,1419024.376506607,709216.1263079947,1820144.214082064,469262.2714060021,527862.8266601999,779194.7974104686,555503.9821107539,1464063.764209544,1245060.078836034,397782.5492035616,984952.9007638564,545744.2822114222,586613.0024306831,1019494.149275491,539561.7864292662,688539.7986654533,556321.6821390945,932947.7959670442,695693.0144109497,886759.2112680069,1287936.102398069,645087.0019118359,783818.4169138728,565949.4409108645,478240.7915378837,770031.1437916609,765138.5919937757,648934.1371913122,719660.8144674721,434973.6862813511,1010134.894662851,569969.8494729603,862422.6340499672,759750.8231769769,570909.4228340895,1261280.120804568,1200232.841228708,998814.8389785356,1211341.554240921,527242.8794348936,4302781.80366867,4046443.058255333,3840792.9013156,3162063.682158075,4084220.854546897,3657003.809841458,3098742.153616497,4646602.062640726,3051200.422705528,3849452.98438903,2699415.773104165,3258508.913800271,3432553.230250468]
["Com_2274_neg","(±)10(11)-EpDPA","--","C22 H32 O3",344.23431,8.204,343.22726,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},5287421.199482344,7168916.736906001,6638604.447319259,11660140.4907482,5798116.798455183,5913846.180350862,3220341.065214539,7219441.92016123,6399932.544229271,2834929.097304823,5842058.822908904,8809359.319445403,2836211.531328955,11033795.07099147,8274458.668564489,6334526.29569146,6750032.324331315,3937236.949667384,8434978.320030186,2929537.387039232,5380622.336521391,4957920.492838736,6045387.663200426,5933352.244280773,4079798.637323142,6243070.706686005,6445227.783894693,6767713.525334251,4914770.37691771,2813150.533113929,4412794.198356847,5313524.114156881,6609608.991198812,8363252.786183522,14797703.51214164,10162385.53595049,5867621.629584361,7613117.298968645,3114891.594917129,8058814.755295489,5110318.018050554,5124604.437589621,7076632.79796108,7018994.107838067,6154889.224012327,6143641.145951706,6682368.992576285,6511619.782228196,4556944.178050271,12256122.65016955,7652197.618331526,5871089.672730713,7377242.994405645,4972677.255323967,17687766.38130466,13422941.08772845,8040997.097059941,4994275.455981421,7973081.35838604,8335761.797668977,6979790.386439339,8334643.174972811,6503806.015055656,7001448.316190823,5962434.434055957,6958846.861627772,5406903.940374692,6033104.057005735,9558174.385035526,6222856.285112079,6909183.198630822]
["Com_2279_neg","3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid","--","C14 H16 F6 O2",330.1097,5.419,329.10242,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},50420.92162077084,42387.3987044559,43347.65414963933,35706.93184367402,51057.30859252453,45001.00493912374,38622.33743923762,47390.93800917657,47952.40909102665,33185.71130938092,32474.52925306458,38824.59829815545,32055.05068665934,43202.66000099452,40347.15634529872,43726.22866979418,43188.91543412078,39841.54417687457,53042.96934031783,47664.13974956941,39743.83575580159,42161.46050863103,38020.20798609262,38120.79074533506,41211.05107288063,40546.07328531092,39133.55294714461,52020.63938172125,49057.42440300831,52512.49114010132,49391.50095891889,55363.39098589197,47098.55202473235,57673.554712784,40838.89590766948,56286.60144135718,41968.82559197082,52092.56994453485,57554.22572752318,54167.50331115096,32398.17961755448,40701.69189007009,37938.93341301631,41045.31855403966,39604.53626431945,49969.73099041329,48825.48962962865,47672.83480672786,48028.21048224077,60469.99514051259,60126.16729936218,41592.51915279309,48826.40928865544,44888.76900041238,56050.90028198404,57848.88058338682,49046.84015584101,50236.25460147583,1547534.21322376,2022828.752174518,1569543.435372108,1717474.208008086,1695044.692570531,1752465.678983241,1571613.576063605,1779135.715332082,1713642.049966646,1676639.820995275,1971777.557352414,1773595.054561384,1671283.224563969]
["Com_2286_neg","N1-(1,3-diphenyl-1H-pyrazol-5-yl)-2-chlorobenzamide","--","C22 H16 Cl N3 O",373.09345,4.744,372.08636,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1008971.94881093,1872080.015378781,917890.2088288337,837694.7757439364,1845306.043754456,3803474.329757531,593563.028461893,2153713.636072036,1514567.56073708,410266.713157678,166972.6506776426,655836.2416679712,575189.4785395053,1284802.839024238,710364.4237322223,1714504.295621778,13046165.91377332,4716475.901262523,4870339.481234566,543639.0890609932,602478.3436382797,2981546.654380337,1034640.330247294,3147190.784969638,3855591.462165214,835211.1631403266,5319059.427655743,25956486.43042904,1174320.815869353,9835544.480558973,2836251.113960934,2510379.894172072,8817695.847857224,10453305.98969283,1491473.847519436,21540931.95692204,11840847.55406732,8463271.040402185,20885987.85324198,7215554.572159572,1267488.684849655,1132750.593881956,5997372.062917795,2899014.258698879,8883102.922916647,6410450.836214676,4300958.907852366,6842821.93096527,2221300.586569469,2556323.389605264,6868746.101098367,1455177.909648215,3005604.162251969,16716818.41784152,10132122.85091193,10383231.79329848,12002162.4706954,2567741.209494869,1957080.80626663,2106846.537717033,3171754.554026853,3993209.627371586,5504112.335692368,5979485.947392309,6409268.831990655,5015499.419588345,5187838.710775387,4706912.782645644,4692322.602869988,3947383.558824471,4017201.824613113]
["Com_2301_neg","3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)hydrazono]pentane-2,4-dione","--","C11 H16 N4 O2",236.12545,5.244,235.11844,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1117491.835933665,904276.5230457736,1014304.718573488,1024977.107683054,754785.4449778318,1117792.774531186,688461.3494146867,774717.4443700344,1517097.223522658,667538.8466087965,1089658.344274368,829215.188803349,690939.6388701207,1510029.976662413,1195695.002732099,1061693.568845635,1634540.467520329,1215979.931688274,1273018.438037478,1286626.353288308,769724.34604757,1265431.865781818,1158319.506568561,1131980.384248476,843166.3254945662,610698.4675052679,881464.7951927849,2763144.525017921,906146.0365750036,857013.5459208849,1965788.512921449,2012353.973749665,1386143.001727415,2850709.339700761,866193.5086112769,5183345.096610265,896244.7172015739,1754391.717225349,3032364.71641043,1485687.778262756,1503555.070983341,1808412.062866386,1604772.854933635,1089136.839108719,1112726.935495429,1331689.465931154,1336436.152626098,869053.7411763889,1483552.013510044,1602347.821970494,1327913.21986073,840317.4418570562,1697845.369042305,811942.5435748624,1004364.518846661,2170295.387093116,1313241.246336314,972700.1434013298,9224942.82640264,9586799.60035112,8906035.582250495,10040350.27258956,8087511.823573432,8118032.307711229,7872748.578980854,8561426.407683812,8117002.441226768,9043041.11702376,7738114.415791532,8984769.341408288,7910811.096698246]
["Com_2324_neg","Indole-3-lactic acid","--","C11 H11 N O3",205.07332,5.647,204.06613,"--","--","HMDB0000671","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",844433.261653501,382897.3811679416,326152.0096594584,433617.7550110408,307322.1450984961,463596.911675848,275248.1589429831,301457.5975669092,260323.4143420928,376090.1926742157,411180.2011870174,425117.4695173719,449725.8729884557,262462.5176477478,470389.7758875035,414594.4405924025,650735.0032351522,321536.6554571512,458914.2746184739,463969.577835127,393738.955327749,579318.1667935535,347930.9043317989,365156.995946,483579.6531159207,471451.090013081,494299.2949523922,534693.1237437193,386485.1305465815,483380.8331802659,494553.5327362112,599134.2725408339,537246.5163856242,1327942.533460278,457986.1607553617,2699935.275157476,415970.3264002092,329380.9472816305,1252712.474147118,357103.1101107894,540360.1908429557,365774.286926953,458453.0524536622,345874.5107541917,400744.473841244,786575.7569312269,394969.2404682805,472439.8907019406,623275.6044546,1061023.778591176,2080610.989704885,486743.0419226257,502137.9749601062,1465870.187801142,1571274.442485909,917406.2758770032,591268.3217250784,326439.290614788,3328559.28468851,3878656.739849072,2801774.35155744,3028263.43117772,4123271.447189333,2754352.210089977,2277961.135603437,3549300.956985793,2747360.746679121,3315500.886098069,3150104.76845254,3383247.479089969,3657749.409053256]
["Com_2347_neg","1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","--","C17 H18 O5",302.11481,5.559,301.10742,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},223308.0531623073,600513.6654666002,544226.6433628002,972787.9957034182,327842.7527972764,394946.053868112,415069.322470847,421461.1722001907,288212.0370778429,606624.6943477049,606543.9417147734,792199.9506526779,451408.5736681533,408231.8445210525,836969.7808127402,715892.7662704116,985276.7435471629,234757.4884156802,603072.1380412854,663005.7974104546,561695.581040333,1216591.366785519,620026.9193173168,698926.5230309413,601435.1952103645,646792.7624547301,700765.7021694202,1102474.720898113,376522.1938084321,738733.4747473123,585543.2316844922,585442.5534497194,609612.9778811316,203619.5615763441,815333.5708531673,137060.6202158219,527638.643820446,496787.1372853846,161314.8947681319,559250.650424407,1022817.637310779,599457.8866353318,676978.7792764973,187866.1392104214,350994.5443470043,119643.345144737,324685.9304313,769143.0995197656,508823.817193569,574199.4314410372,470038.0911833761,777335.1969049359,435039.851675882,95616.76970971878,118461.498484801,176400.8715850265,253490.9073867043,654292.3807765514,3568037.49487291,3356220.869155893,3318468.148439512,3755697.966345775,3561104.630747543,2832591.695688859,3370795.910575581,3966038.004060681,3244748.784992294,3999111.431514485,3015020.239202107,3380134.469497544,3679866.473984996]
["Com_2355_neg","N-Acetyl-L-cysteine","Acetylcysteine; N-Acetyl-L-cysteine","C5 H9 N O3 S",163.02965,6.65,162.02242,"cpd:C06809","--","HMDB0255048","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",46332.26135455455,42093.70229098371,82384.43443256755,60919.64267838858,79968.06307889186,143580.7093337671,179497.674891164,160153.1210195839,230059.05296699,424134.5065149654,145605.8376822611,125275.0399690684,223006.3619513817,230002.5980936316,212014.4816815494,39895.97179245102,39924.50473738102,95569.35979629608,204962.5749993337,2382706.087308317,836979.0941564364,1002251.788632322,991656.7541026532,2237869.481694424,1282938.987082892,139704.842478416,689597.5321642429,2655171.950248528,1709130.82917779,516374.0480922991,2294374.023215622,1924030.207576172,1124274.938794171,2701678.553667357,849162.1674904553,3211185.020069295,452249.0645993766,931260.5534868992,953400.7366424092,997474.024470988,236983.6253236475,230232.8864832105,190350.26749559,66293.96200066303,76791.97623294676,168160.1289060688,42875.59228973242,820913.3566928019,420058.8928629636,197733.5062493779,484961.6891563039,116280.8463733582,115135.1582833981,199714.6921573086,192517.3052853783,110190.2437874598,99664.6934811646,130186.2494151165,6128052.20814598,6063512.431482772,6341732.87489731,5886282.055476381,6740363.366880168,6027142.655846924,5485669.614212901,5914874.482658635,3879657.830987878,4984673.471512765,3917361.904650147,5226804.281961005,3388263.787993302]
["Com_2367_neg","Methyl 4-hydroxycinnamate","--","C10 H10 O3",178.06238,6.001,177.05507,"--","--","HMDB0302074","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",31923.52433326333,23249.19668081142,29872.40455699134,37554.49767222741,45768.60877762416,27377.87417792657,24810.78809759624,31288.91524297214,31996.69957599009,19189.36280730625,30057.52653060157,38489.47196798859,20055.08740844852,30329.25712400453,29986.22669656841,46392.04692813201,60101.70273743723,25739.91534282785,41343.00659798263,22900.14740340913,26109.97256884113,40636.98350438647,28712.9662311462,28543.46097996254,32169.80985950561,39390.76297144766,46038.61417579344,69948.95866255212,66487.70355923822,46962.58092226986,35853.19514998025,40270.19888499914,47183.49463555296,40464.38515478472,29194.38677625589,56429.27608489464,48648.75666682072,30046.84974235928,33302.36567221268,34822.60364105769,21043.46972532064,21873.76187518545,34792.47808672882,40316.52750078291,36849.7660659437,25053.98887702397,31874.66420026671,35834.5692113106,33607.81087883819,41512.98289927656,47576.6097948949,30959.65638383491,41443.49766812029,29763.41673045475,29069.34219470251,168735.6403775404,27861.3598598713,30567.85273992873,4129128.54828426,3962054.800899326,3891009.049585288,4137836.646190845,4725855.854117913,3828407.480620424,3183030.712993155,4230426.1595418,2812615.994557851,3856119.502420567,2367451.790468888,4869684.032038934,4231252.332387377]
["Com_2377_neg","tetranor-PGDM","--","C16 H24 O7",310.14101,5.935,309.13364,"--","--","--","LMFA03010221","--","--","--","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Invalid mass","No results","No results","Organic acids and derivatives","Keto acids and derivatives","Medium-chain keto acids and derivatives","Medium-chain keto acids and derivatives",247631.3461006891,211641.5253892394,203422.9184158488,585990.830069564,189102.9021681542,184432.1166744216,135475.0077683969,153284.1849337598,404764.1255992991,291088.5504708629,351704.9497559307,188186.3944846246,175835.388482634,264357.0973500733,377138.4492147393,418140.0579190573,318774.9233140897,286916.2863668395,337212.6845244162,284678.993638977,164671.4330656759,358347.9958035281,267213.4673917645,332726.9494240421,190392.7425603863,246051.9621026893,168964.6708794102,805470.6251699917,305320.2206602005,479586.8164362251,224799.5435906784,457114.4392294467,486848.4584985991,617457.9149038255,293601.9156039249,396611.8173456864,855785.7707513162,398248.2175004632,1302258.514448779,341613.3948649328,932793.3553114056,354400.2069827918,312784.3298229391,563845.4779462076,935956.5512145178,549089.8168982137,508566.0943892752,253832.3896463246,515573.1751950964,842348.6840452205,706823.5328388731,715575.319460484,414142.1906448932,324187.4332582394,456134.3121423039,407054.8921915276,725053.960614951,200747.5019837182,2705027.3604449,2308337.753825342,3007602.371050683,3091859.066837166,3181470.627139654,3038086.081567035,3536719.776482755,3478292.303807068,3069311.218366528,4147278.084148165,2340886.101955234,3280160.011780442,3186792.939472485]
["Com_2378_neg","(±)14(15)-DiHET","--","C20 H34 O4",338.24501,7.538,337.23773,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","No results",{"$nulls":4},12765517.8276589,11074080.52519042,11594600.64448532,9750915.101162888,16898416.16824621,11763230.79570605,7935021.554007079,9763611.251671774,7838113.032597598,6169355.411254046,10200190.00437538,9639271.979490634,9349118.676568424,17654220.55829414,18587103.23710037,13576032.5066243,11999600.25666673,16157573.38717321,8014530.201181365,15715951.7367427,11570250.68628265,9014213.522161564,11057729.64310397,26139833.83952313,12284309.19315159,7705889.406725837,12931386.11649041,6278307.78375478,8224133.48204517,10250956.70075083,10334034.60069223,6903025.807970701,22790037.35100359,20542349.90335192,12469658.12233972,12112797.23739224,14754533.65939173,11456207.40956624,7776378.87762147,14498467.72046244,19018522.27477505,9056304.897777436,16304045.78853703,15567510.57631174,6680591.637510164,8283659.003331601,15405315.4863153,7323074.262681704,15629128.44925256,39530493.48822957,29020870.01489711,22976554.15800564,8932644.455601789,4429277.63899067,6002265.845530695,9757176.685839998,28328518.26338313,6548272.276297479,8245587.59875638,8247690.292332652,8164031.727264835,7610995.291868699,8154372.710866745,5920758.558687842,4925691.342577165,6551288.203771596,5221373.738188222,5641239.284118384,3864520.574638982,5327860.726397621,6056189.195354562]
["Com_2429_neg","3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile","--","C18 H18 N2 O S",310.11606,2.417,309.1087,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},1517963.721315718,1243528.478712654,828270.0021123467,1528113.117359897,1239362.529045858,1394114.909709481,888189.2725709323,1604020.013302003,1589323.450552823,1138592.825518889,736194.0538932966,1522606.286129945,1126713.128693187,1995661.94001502,2063579.797646856,1146464.173803518,1446745.137008861,1928797.597961407,1406227.955557536,1567623.030159198,1817951.344158213,719152.0304492988,579211.8968981426,2228596.434710809,1029171.449181225,1509881.029304709,924998.203396545,1033338.653454487,1600303.7633348,1234284.449314123,1057490.921449232,1530930.465959438,1310743.195744173,2380527.977918803,2382093.561210308,2415823.233087774,1265891.770675558,1301769.214586184,1436909.572690429,3213685.511210837,829177.8101756265,1250356.716814332,1880769.669639765,1285664.452431403,402234.421732604,1355063.725557856,1259287.508661512,1385265.419950108,1941137.647106915,1863369.2484521,1349080.343628423,1667478.888878173,1277129.2055462,861364.5338005228,1240267.758347565,1183665.212501561,1921046.327758505,1264814.544000982,1662437.41438821,1514157.178037914,1908278.507810208,2197555.075649269,2472796.116772497,2089760.065413803,2223224.510075704,2612798.594044455,1854366.249888098,1837247.24196755,2106451.025415359,2330666.806547165,2485311.30785898]
["Com_2430_neg","Kynurenine","Kynurenine; 3-Anthraniloylalanine","C10 H12 N2 O3",208.08424,4.777,207.07724,"cpd:C01718","--","HMDB0000684","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",3885143.839366952,746923.852214704,1307611.916891567,676146.656717378,2245717.821307774,2047262.157708022,2458326.284273336,955958.5597950668,1143270.091926622,2881079.977908255,1485538.756448823,3323422.595721805,3144818.770867078,5248813.093811874,2612435.430328578,1055414.661547645,4676334.132255516,2826923.842223154,1695308.201392003,1625074.852574615,3064940.561519476,1484592.682766618,1845129.805689782,5368798.842990302,1176109.283139624,1968018.617813621,906652.2137488672,3279824.736955595,2014688.426075593,1127689.376047118,4149753.065276845,3210020.41242113,4183215.236102212,4888264.939108944,3328894.73577102,13771454.67111726,7315206.330976428,4118087.552513393,1942688.863150988,3855947.403128008,2259801.989508217,3744554.152500561,4969772.091542561,1829069.464236282,847381.9868522368,4587059.958772688,1595598.664337685,3775931.054149757,3363827.622268992,6923545.112413921,11629862.90499422,8404910.37386506,3105029.836728145,3318790.86406201,12320831.18693056,2983530.565976502,5823870.01875323,1764333.532902428,2269790.76473288,2135546.846964321,1963022.671674929,1991918.435199385,2035856.318322556,1935594.620918493,1944786.567309949,1855622.193923858,1896434.917778543,1980449.10563609,2399967.295018623,1851322.042338712,1949838.986044151]
["Com_2449_neg","Calycosin-7-O-β-D-glucoside","--","C22 H22 O10",492.12584,5.452,491.11856,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results",{"$nulls":4},36409.24563503607,35316.15937937018,29843.78168835735,23766.65746852927,31335.41270667367,27444.93304048145,26030.7442522734,25556.44750842184,32587.53499128313,24254.93108136192,22398.09244333004,22119.46149802362,21158.80667883952,29011.58551784853,33757.46540885781,25545.65743183068,50363.13991410376,24470.09791881261,35515.45830209792,27387.64044181423,26626281.28656885,27034.3351530484,24759.82145833662,32763.91950030221,34796.98438077606,27994.90172519987,24807.34237060116,28042.18702386446,27133.44642019672,30354.27332687607,51925.80778024543,30398.40872001632,23726.17050713765,33489.40182786933,92172.09885950843,53717.85741784365,27353.44038263784,38390.5946761158,36723.50818124241,38866.54756441588,22663.72860166796,26641.82873179668,33765.56086360951,28728.02834346357,28128.73350620089,35244.1000992061,30395.23141425275,30073.97289762632,30562.40642688011,31480.55209738663,61895.73642098318,22851.20926692562,32348.33798483286,31632.26821966927,61080.2774715143,39063.93468862033,33795.04829088297,33076.03468617453,217729.913184002,246572.5654936708,264252.9939223427,333605.0115618464,231678.8201804421,138941.3666532393,206572.9473101215,201548.2734298018,81166.095429431,221147.673204114,251553.6494117017,235644.4294372382,229194.4428738521]
["Com_2450_neg","Astilbin","Astilbin","C21 H22 O11",450.11355,1.453,449.10602,"cpd:C17449","--","HMDB0033850","--","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","--","--","--","Invalid mass","No results","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",1189745.35469357,783772.7685304824,735730.3951788977,779467.8715085463,847753.9443564881,821082.8962015786,773179.3275125509,1076987.726231449,776455.3097731497,831323.9593330306,758742.4291451985,786725.6612787152,998279.5483300054,793017.1665310526,835256.0664690267,675542.9814366205,579574.0858481838,1115840.441090265,751218.5624848983,817524.3731696751,901904.5184356122,636714.6992368123,720114.7885798174,734349.0565237942,753731.0635154045,721300.7870891781,745667.4446692204,542518.1272357756,800998.6969305435,730332.8775697007,784473.6642438546,1071808.346584821,732100.0248680837,817984.053551624,754840.5531533649,793716.4551924893,750373.1955205635,713541.5248318673,977916.9666525832,875281.055886348,774494.8305064061,767903.8993975132,648897.1313088266,882482.3158937704,849626.2260699422,880501.0101244247,777500.8038561544,642800.8888433051,783239.9810503966,773358.9580809098,895177.6939467514,723770.6024635393,785429.8476135993,901571.8464870888,829402.4250591431,825453.936275419,953038.1223826756,715385.2160292066,4122440.17548725,5280754.798811167,3609049.50960083,4240941.665802225,2761337.166387116,2721269.33545975,3140316.72024119,3785506.957853378,4614576.108284353,3254151.45715352,4051600.812644813,4015743.443735885,3974487.833158111]
["Com_2462_neg","LPC 18:0","--","C26 H54 N O7 P",569.3681,10.409,568.36121,"--","--","--","LMGP01050076","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",593057.4530835659,2240291.061084108,4640421.244025213,2423482.768457085,4224735.404920974,4863154.872161314,39228.99965022829,2073566.575672388,1824667.214905845,1640742.196284609,4897080.784491822,6742281.068562781,845505.9378730815,3159228.542408509,3071860.398931137,2685249.199145506,279591.7556313114,681884.1517844864,1372282.805306572,1027446.631426476,3313097.48113226,622112.7681943409,3990243.865551746,776617.6934074013,2639625.834661292,4896194.244189658,2147835.387292285,1046818.330341469,1501795.074347951,838258.5247313256,3501001.919462747,583647.1428666675,2312848.546702506,6613477.252904159,1952409.455260416,224467.1587486963,7578787.011003114,9085507.34664408,2884430.082239088,3266241.237072661,1560801.300775668,5054297.798183219,5562399.823143163,5133080.704892974,8429492.782449609,3909336.666280634,1467014.466052313,1717277.041369172,3183039.247966621,879321.9719827812,785989.6454331183,300199.1354029681,349074.8786633531,495602.8298918003,307338.5413583479,7922105.761387831,2119461.690473284,627085.9319960931,17745486.5038661,16266366.47242549,17998773.06446218,17033404.60633925,14863802.29036932,13115752.65829537,11699871.26065359,10856888.79767569,10367622.76736903,11505917.17139297,9486878.144555869,10825540.62380773,11221429.27017061]
["Com_2518_neg","4-Toluic acid","--","C8 H8 O2",136.05192,5.849,135.04465,"--","--","HMDB0029635","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Benzoic acids",164822.6804431194,98179.08636175796,101052.8931622776,79398.90173430854,89556.45336549613,135281.972835063,96724.00174269076,75277.05456937611,82530.4285902821,111323.5578208167,78968.25235727878,78484.64726182098,81053.41976146805,123937.2038188145,74921.9810284446,70201.27171418678,80504.21527809043,99039.193044102,111038.4073142682,114258.2679355721,95865.44485628682,151102.1188796792,96795.61387325932,141069.3321614764,106373.669892099,87248.09509028617,70258.32274873825,99776.84143525235,89271.09132503645,127804.0768915774,115989.6671972324,192952.1222933452,111738.9896188893,147382.3055091154,150634.3806378986,172726.7456970879,136408.0506348172,134653.3767076904,166530.9652193011,109314.967531056,153880.9381099255,126970.1423794042,133249.2195421797,82594.21345432218,107262.2874267144,119659.0466128311,175632.4198924798,104073.8176695945,132548.1255515706,180434.8055420965,153845.898516058,181063.6925725418,123484.5149555665,90213.650277847,224105.5674359254,140326.1446457267,181633.2111949437,118826.320779318,775364.603571718,1013014.781116224,915367.160062725,960041.6959410376,957672.2756242948,695487.7069262,721527.5945626975,1038493.132048709,991485.5310254368,822157.9248511023,864937.6953689811,918063.5197117734,1623737.799108856]
["Com_2537_neg","L-Homocysteic acid","L-Homocysteic acid; (2S)-2-Amino-4-sulfobutanoic acid","C4 H9 N O5 S",183.01958,1.523,182.01242,"cpd:C16511","--","HMDB0002205","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",2127194.158459826,4088533.549607001,986874.193109178,2079604.423744666,1279067.747426523,1173233.220041886,1069373.163440022,1245468.48474308,1038706.330436599,1187866.523853174,1058273.001802929,1387282.324044044,1412068.914757312,1133130.51354721,1474924.737501847,956240.6984102312,2011507.18122236,1613022.831275713,1214539.666204253,1122603.799237214,2134606.235675595,2698904.690808673,1852873.084306344,1334649.444557775,1593454.159582511,1018283.559572053,1639255.648950815,3814709.084976406,1468218.463361412,1314835.651760184,2542067.792958906,2364202.079558662,3685317.678204437,3040449.254315021,1211295.120411306,4327290.399687455,4252957.070226891,1419172.506880149,2354127.23017237,1562063.823248149,1853621.44100472,1549520.372941069,3712835.914372416,1580314.089182656,3855974.222314077,2137857.441931889,2539902.821197905,2581392.35115985,1904352.993174718,2949342.458678682,4197796.680876276,1042618.631731687,1158878.396805889,1728650.527521597,2900714.633097732,1299626.384440213,2527214.002837514,1581336.702317407,5088941.57581723,5475848.465149389,6167285.156051689,6417016.046248031,6369459.006709945,5450800.330403176,5865441.670472382,5164967.825102763,6011025.840698465,5623665.367907984,5684029.404757744,5390254.842704912,6523169.804138584]
["Com_2552_neg","Ergothioneine","Ergothioneine","C9 H15 N3 O2 S",229.08768,1.452,228.08044,"cpd:C05570","map00340  Histidine metabolism","HMDB0003045","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",19124502.16536995,20843461.29679679,15788975.51715555,10894916.21848835,14348707.36827265,17461379.79859268,11244966.40220424,12937352.60916253,8786428.048988268,4944643.78325714,6153630.414191328,14020262.86251837,7445030.033699878,19300663.55159122,6767781.702862319,13132543.14899034,6743838.690409027,8153342.768280983,8601503.543190073,18434902.82375992,15943647.65463594,18365288.01298259,10651958.38904715,10858893.14724659,12436169.61450732,10139287.59892566,8625647.568012133,8098797.56583849,7042521.560951221,7288853.269096645,16893883.58672547,20943123.9080649,16981872.05979668,24212620.98457266,29564447.46990118,24870861.15751638,24287571.47990675,13161274.02627629,15784370.80985544,19028820.231753,14305500.46795039,18577743.38354391,21241403.61624397,20512917.14353558,17248204.33272116,16941884.222193,19827622.6904077,19246822.42675227,24518530.57357208,32006003.14100693,16144783.84778022,23078502.56102279,23830408.72199965,24808726.47760595,28446322.50424937,20402993.42997831,11786543.76615382,10631789.79265026,10801059.9413227,9628137.640617872,9742839.710406922,9377316.453188349,9418146.406723768,6773387.785548221,6330336.632499679,7119459.615150498,6686191.968095482,7107592.034887081,5604746.474560623,6753380.627333469,7098977.724042519]
["Com_2567_neg","N-{6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-4-methoxybenzamide","--","C21 H15 Cl N4 O3",406.08615,5.328,405.07889,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},62915.0882749058,67333.86351200119,85186.98365909906,60333.06941686128,171134.667010244,82360.19322536497,112643.5901502581,112304.4282531524,103869.1701946567,129242.5744495244,52477.29062920337,136086.0118439626,155528.7781038023,215361.1802901105,81563.11684079233,96561.21466565203,77425.21815059765,87483.93695848405,97974.50443473057,262807.4483405753,153934.445664578,57742.44219382526,71478.62630719684,123699.6874714167,68926.06570334618,80080.49474817327,87495.84583340607,147438.1647347534,89692.19657190952,80262.85035030945,256667.8452088869,83427.0849442836,253279.8849326168,85946.72780494158,63706.34640246527,165035.4403284714,158248.1484508515,100348.5157491493,109300.9868881785,81408.60955595253,175785.0809840109,150708.8544853855,106285.9566539475,249216.8965922471,76549.25609748308,114519.6302668355,125034.561483507,132267.734556198,257558.9259145128,53015.69922006028,69323.98830820463,63175.55063015157,88581.07722703366,80460.45173469883,105295.8026753454,173103.7778209027,104264.1571043347,95222.62224186798,2211228.40426361,2473059.253739404,2958591.979349544,2676189.890967445,2534378.261886706,1984786.13821833,2005483.21676345,2095719.731308574,2394906.198282178,2373351.577788129,2080232.932601761,2104129.601660545,2449626.294096358]
["Com_2595_neg","Myristic Acid","Tetradecanoic acid; Tetradecanoate; Myristic acid","C14 H28 O2",228.20837,9.715,227.20096,"cpd:C06424","map00061  Fatty acid biosynthesis;map01100  Metabolic pathways","HMDB0000806","LMFA01010014","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Straight chain fatty acids [FA0101]","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",1533100.476449069,3436371.930765812,1766601.413682803,1961461.884918738,1906553.658387563,1518855.669205101,3068068.281251508,2812377.130403681,2386366.937631345,1887591.635269523,2288102.629958427,2250229.05390014,1128878.992489388,2564747.368251354,1122044.939281319,2062931.924473706,2213534.396532724,1446574.427188129,2279731.878722202,1427758.619749835,2060527.17389701,1737397.144785173,2210773.241607945,1182022.900998258,1381653.045779393,3402383.346116604,2531798.4009262,1969493.861357653,3255998.363560999,1543191.356440624,1723794.622594177,2407714.537003638,2348191.528749978,3013383.251484203,1857659.822716425,3386279.872374538,1959721.363919412,2864433.054048242,1829177.780417284,2386371.959526597,3194474.951940384,1678941.730611297,2065387.504929625,2293611.817159481,1334750.673051027,1581305.595967135,2951014.823400025,2196004.767339025,1609881.137294062,3645471.990297504,2751155.137897652,2248779.28674864,1153765.533794346,2488013.603693394,2787808.688458803,3350505.295721547,1845722.651840677,2214731.028118366,7184375.69568159,5579401.051157684,7269351.189650708,7836829.508685632,5554373.352148714,6259166.423588303,5531641.673344031,5458526.959199041,6290944.700552822,5731838.38226222,5560351.662323543,4931135.20367234,5936291.554516928]
["Com_2639_neg","Glycochenodeoxycholic Acid (sodium salt)","--","C26 H43 N O5",449.31323,6.585,448.30591,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},11239463.67072566,1505516.967837347,7102769.92588183,1592295.751048879,4603973.917969955,18918728.90474224,8537957.215976361,1101957.405066977,24809491.50216923,1174216.198804372,5409116.83716722,1554136.682209435,10281458.62935908,21809527.4728511,7080204.80458388,3429177.566312144,479425.0860295305,3010052.412673956,3007512.012635056,3295735.233732758,810912.7951392684,566030.7411045657,760775.451901384,2275914.794137806,2730162.9718168,1499120.97950623,260781.2584730157,677576.2296538701,3054751.86552939,516927.267581045,417180.4508078928,899143.5765129251,719033.9489631384,1743062.849018226,521281.4141975745,2129304.802633188,809241.1263788531,369017.9348022023,478947.4654321741,266748.7258994001,1225055.408615973,15130660.78288128,1029939.777936874,1785092.586599253,807526.8772604692,2267761.285965604,917764.5749903304,7448382.483396274,238555.1182287821,586431.8953827546,691384.6265729398,4414254.164716354,10879382.13470112,1597974.316900183,1392376.665739215,4151148.724447247,573128.5128988848,1510770.173241462,1650652.9066079,1577927.126324383,2154960.931235957,1845170.902915884,1423355.98920162,1436767.92274284,1721108.27424727,1300718.267844292,1193687.115432602,1563354.817256258,1570368.580599348,1339085.577785002,1208809.241905673]
["Com_2718_neg","N-Tigloylglycine","--","C7 H11 N O3",157.07322,5.295,156.06595,"--","--","HMDB0000959","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",24916053.61164574,9890719.349533249,11489436.08024894,5372122.386476152,10794921.26310321,15070544.09826152,5089960.846032443,6483508.709770163,14365356.65481103,5011465.505501186,4395965.169775107,7686212.949363918,7769876.988271062,19699375.57776388,8740621.231966542,10275525.0652783,5286324.833257852,15814030.51859278,15449889.39918104,9413168.382680118,5289075.889257379,5550088.496270371,11343996.93440268,14745011.0476375,6913619.461043582,7999245.973386763,3438106.032758927,9352516.88033991,6061356.774832089,3849229.251362152,10160893.56444722,10776761.66828874,13941667.26814157,19636294.1727676,10740589.00985007,26978816.01075412,8449196.502864232,11245920.93663009,26056428.84418601,10320835.17246361,5190652.707629982,12592930.32553241,8485559.45000855,17590474.23040465,9761397.235320276,18408843.56759104,8358218.193977301,19600011.20613669,8329096.797232097,13984344.97480845,28995884.64944221,11045743.43673396,25338525.58145402,23338052.40191014,40263469.84448158,24307918.19426758,7334094.606208931,10179923.80312641,11296630.4513723,12040412.95193713,11824554.13195413,12501884.70875716,12276014.22500283,12138316.03249955,11243190.20394399,11486024.30065673,12292241.00364297,13399844.5619245,12536839.35548032,12423257.09609353,14899147.677656]
["Com_2732_neg","Vitamin B2","Riboflavin; Lactoflavin; 7,8-Dimethyl-10-ribitylisoalloxazine; Vitamin B2","C17 H20 N4 O6",376.13652,5.651,375.12912,"cpd:C00255","map00740  Riboflavin metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0000244","--","Organoheterocyclic compounds","Pteridines and derivatives","Alloxazines and isoalloxazines","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Alloxazines and isoalloxazines","Flavins",3011343.52169118,962392.8697805216,825907.6625999553,973928.4096344324,867618.8550907347,975105.892474824,741568.6341854353,894361.8575943556,1300714.370152131,787506.9475780937,704032.6849652677,816627.9272703732,826549.000249796,1097509.072829359,807607.7786622477,752643.4418008921,1058035.510715665,1012671.639436044,1275398.397170195,1100824.175342158,820594.1847281824,973641.576339255,931653.3445558032,990546.9454941148,825773.5319588915,721815.0952760299,864252.5421078561,1002105.24800048,803076.5363098449,835785.3190239291,906038.8876080428,1447394.665394713,1109614.884182893,2095528.496833208,1025437.897385832,3263858.666889049,981175.3548086624,827639.7448776274,1541639.577491794,1458846.687356284,926422.984390601,1084272.183371646,836254.9054816556,1743863.995529004,1471409.734511698,2671399.741326799,1113490.938623678,826004.5830548689,1098688.787451015,1355073.993309948,1243255.047831699,803793.3979628865,814410.6542264774,1833039.847000296,2118747.432143192,2279200.216145536,1103489.883707943,726260.4114049562,3133468.77882036,2120986.290147289,2355044.457658699,2063355.369508213,2505207.087601209,2262274.304223191,2014626.51125286,2072914.916484965,2080486.248100669,1904800.513225114,1860552.417208607,2822576.302386254,2065283.438697518]
["Com_2786_neg","N,N-dimethyl-9H-purin-6-amine","--","C7 H9 N5",163.08381,1.381,162.07649,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},4752696.344011402,8293533.189403222,5884387.255233395,6185134.0256892,4722131.915899824,7004671.379933708,2837839.471323885,4503628.82602396,14422403.5733331,2879958.222833254,1349512.046236275,4272728.70913346,2131935.65217551,8129020.549207686,3140420.254597545,6112801.542546225,9184242.064442178,8636392.022856528,5672572.129782965,5411038.783433779,3056263.153882495,7327571.448491997,3664375.54789604,8550617.612138912,4580485.323174599,4145118.886989948,4875730.188439113,5462452.308944485,5080576.435934308,7435243.638337791,5790271.183222063,8756848.294146681,7324312.396222424,16880771.84004236,7959753.271005329,18606886.71826819,13461525.19489411,13636371.91147598,9541813.056256216,26528785.33910837,2982133.644066877,7390330.50988557,4981746.154542528,6708207.591043823,9454809.349820044,6651300.908648642,12550391.68945442,17637873.48353466,4934372.3089323,9122896.380050974,7619563.997464111,8479253.684992172,12798849.76277218,9481282.71967559,16180369.85945106,14977402.89488176,5571137.290770736,18880983.59791155,3485679.42395389,4376905.649997209,5452341.706057436,6208545.946306007,5677256.226719362,7631679.910125518,8782976.841696233,8503167.265427988,7311407.970825709,6280898.35677884,6831612.959458386,6898253.712370657,5607343.837432346]
["Com_2835_neg","Cyclic ADP-ribose","Cyclic ADP-ribose; cADPR","C15 H21 N5 O13 P2",541.05914,1.972,540.05194,"cpd:C13050","map04020  Calcium signaling pathway;map04921  Oxytocin signaling pathway;map04970  Salivary secretion;map04972  Pancreatic secretion","HMDB0249529","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Pentose phosphates",6225973.283946989,5713559.038384462,4013348.267254669,4341967.86691295,4315920.7710176,5739131.859126518,4722739.583884707,3831542.374336787,4607398.112088786,1935635.583910729,3848847.049639348,3667713.171087587,3418766.105321035,2791831.031083436,3664738.626109428,3750078.067994376,3566366.666933834,4164610.840941025,4751144.55317024,7388178.92330828,3116149.353747518,7205700.159588024,2380526.217043872,7933784.676402081,4484364.558662803,3281153.182052992,3451743.0249548,6101742.834295619,3857487.982028376,3491999.523999374,15760657.61212857,11821526.08313679,9868335.57034934,17447375.21811273,14475400.96476593,4658908.553379159,23988333.23914467,9712621.796215115,20457794.10271561,5212462.182243988,4227529.684576705,10809315.32940602,19059666.14756469,9548177.123931875,9171202.047814948,12518110.23163974,7429212.886725564,7405358.633782243,20361263.83139341,18653616.86344077,9721142.12691035,14880308.46314688,14304366.4041678,7761942.791050737,16395742.85170462,12115985.20553022,4262042.447085937,5181603.261517344,6486560.74833985,5040949.178895766,5993413.277002836,6057109.782563389,4866384.318863115,4121055.882219566,4047489.709397377,4622607.215531033,4283402.278672387,4278626.492506429,4650381.255707053,4672732.251239154,4495031.46850045]
["Com_2839_neg","Dihydrocoumarin","Dihydrocoumarin; 3,4-Dihydrocoumarin","C9 H8 O2",148.05189,5.713,147.04457,"cpd:C02274","--","HMDB0036626","--","Phenylpropanoids and polyketides","3,4-dihydrocoumarins","-","--","--","--","No results","Full match","No results","Phenylpropanoids and polyketides","3,4-dihydrocoumarins","Not available","3,4-dihydrocoumarins",96999.45502005683,81561.698717428,75062.78526862442,102629.3632200434,87292.14245055325,84715.7978399496,56730.11784230164,64856.72372801934,80680.6399074071,73006.52931825907,99342.33305796213,116550.4896198736,97252.01438289936,82229.94329841879,83470.43851082194,96749.313569293,133491.367577585,85906.39611956608,79185.71764508795,81447.32066316862,106088.4192464516,134765.8651602497,121180.4433235884,126906.9476067398,88913.20296260488,104262.6048332252,99462.64578719273,184350.1308535154,77996.39814803711,97069.46752967608,171113.7228757824,176779.5472925032,104461.0896324596,252515.38066012,125485.5260561043,254662.7256274666,97525.0139064002,165620.1520889352,341966.051598493,143795.3009124804,102757.3658698626,80937.09905703361,126661.2419952697,84341.80056549062,115805.1501071437,134181.6925247253,48711.8906392154,106972.5532779031,149094.2120507568,152964.8751156941,304220.0748864998,97480.45967637264,67479.86406895124,195136.7282522065,129904.363082346,98839.74906551624,86329.88763312928,55721.48846361064,1221974.53342317,1389544.592701497,1335916.065963257,1118855.587812621,1270459.261626684,1219313.397265843,1256125.084691165,1016440.357785772,1242891.064624102,1351522.933005873,986538.4450092504,1190573.169570116,1343560.923194807]
["Com_2849_neg","FAHFA (20:3/20:2)","--","C40 H68 O4",612.51155,10.536,611.50427,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",511972.4152992431,1555105.443556456,979516.4713989312,600529.4372332683,1033006.049882239,1141610.887707732,418708.14260431,1927286.044328797,897426.2978860411,462182.1992319357,1839191.194430513,1499667.715710767,633249.8558677142,1102375.975142256,738639.9338094178,744665.4965083009,1028966.300917676,340725.6506067668,1147206.384657862,954321.052843402,970076.501049678,784200.8960639507,607361.7375883351,693166.6630509103,896827.8017553418,1301008.78407638,558345.193234721,426793.4708036221,622324.3112214622,758370.9287168054,542049.721481483,523030.7959281004,676314.7841611544,489532.9368909281,497565.5275339568,331947.6094940317,470974.7321457588,1170392.309096623,218675.0546037473,3220245.736911807,1325972.592804461,681166.6503393237,859910.6010813209,1145534.11203032,326610.850493847,319177.3986897584,433464.4629471214,210683.5193385353,531794.5874513708,795123.827280483,787183.5469324506,911586.7522998536,137145.8832509795,254201.3433789356,93169.0615631238,677926.3466465356,440738.2816136663,479956.6380419488,6719690.45266055,5811047.284695895,6165380.045393492,6361457.169308992,6060525.923899431,5341061.21399889,3660989.897429946,4098793.107868544,3847412.700183933,4459505.920486294,3291332.020724933,4488240.225682506,4398554.824722026]
["Com_2876_neg","Diethyloxalpropionate","Diethyl 2-methyl-3-oxosuccinate; Diethyl oxalpropionate; Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester","C9 H14 O5",202.08371,5.346,201.07632,"cpd:C04067","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",698030.505098158,459616.1598624266,469336.8499441371,392468.9190957741,361372.3544429509,570197.1499674577,357507.6733882908,332761.3521975116,545936.4381642676,351965.7439919562,271658.5645226554,340605.514907444,304007.9863196795,485707.7200962727,441628.7143212727,423452.2327329346,632699.5065521193,498099.8675067944,384164.7944890707,518097.1934370873,493572.392393606,538127.4162483324,438214.7882543579,502499.0886583064,331691.7967623638,370012.8009709393,467794.9862015122,988741.340446656,468385.8473727336,345437.6329780617,769637.5573781854,730277.2829785426,631252.3741063358,1135577.065715712,399405.6010306355,931680.9788374002,442219.138168929,638972.8838042885,1049673.814726696,851121.0443599293,409791.1235973302,694643.6429732144,663889.7543331274,510764.6940743181,732585.8351057981,835890.3128281914,1034083.080096862,609688.7907594641,697540.9384568372,642107.454016118,545011.2066307304,391415.3758401261,748294.9900978472,624259.2762940117,852929.3797512747,1008715.758393879,828897.8046480357,346186.5107915679,5884912.47621421,5888999.058840643,5437765.233301981,5997524.53588915,5561353.689976972,4997579.579627571,6288510.325623901,5435398.350060506,5669629.450640962,5923540.806706025,5161128.537169285,5699474.898931368,5705247.916091757]
["Com_2895_neg","N-(4-chlorophenyl)-N'-(2-phenoxyphenyl)urea","--","C19 H15 Cl N2 O2",338.07725,2.032,337.06998,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2228898.690324916,1193576.186353733,2374824.124014312,819676.4415823837,1501494.470718905,2310269.639575205,2208853.778019296,1439564.861937985,1531911.633384894,1579880.604363959,1370306.143156632,824236.7197935799,1637478.824951296,941674.4361187902,1509786.780531492,1274659.696742501,1089544.185303554,2119657.563731073,700393.0576882954,1262988.660882135,823761.8464784923,1379342.855242511,971354.3580108436,1706514.55807997,1555668.917228078,1165899.457418881,1849678.760188516,772539.4622819914,1598097.70372064,1244073.500843511,1280906.240384841,1048500.827733031,1134198.124003489,953983.139229968,1106196.839963245,1206348.279018464,869819.3611938547,1276220.049910207,2235619.173777255,1925204.763301086,1016498.476090392,1365792.173859545,1576824.976178033,1509824.573791153,1096785.981193626,1029653.283029996,2090314.310726818,730698.2369769271,1022260.126408799,957133.1312531616,900771.1436526811,1469635.909081765,2113348.756318495,1390964.360748886,1663358.846714797,1331227.81680964,1597676.884363516,1229555.485608123,2824128.09172327,2974230.179947495,2800574.122330321,2617380.490107738,2658540.013115529,2597500.260640203,2315697.15506477,3184359.228943005,2491105.748537809,2639155.245373623,2518481.313168583,2911975.613098476,3210172.937990867]
["Com_2917_neg","5-Dehydroquinic acid","3-Dehydroquinate; 3-Dehydroquinic acid; 5-Dehydroquinate; 5-Dehydroquinic acid","C7 H10 O6",190.0473,5.009,189.04008,"cpd:C00944","map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0012710","--","Organic acids and derivatives","Hydroxy acids and derivatives","Alpha hydroxy acids and derivatives","--","--","--","No results","Full match","No results","Organic acids and derivatives","Hydroxy acids and derivatives","Alpha hydroxy acids and derivatives","Alpha hydroxy acids and derivatives",173681.4544041675,189032.106648987,188172.7292728236,149888.4429461547,190480.4640229286,192453.8898494974,177395.4327692682,167989.7338635482,206910.3772534226,154955.6928726651,177697.704238825,134218.6935553907,182117.2967520077,276471.6332040637,245862.6295569337,192383.952465409,226538.3227297869,280067.2261447664,150626.2254353997,236930.0718154494,205114.9156493988,191149.1545153035,168435.1401615624,427396.2813872151,250593.4806436001,164889.1008760401,233741.9543841824,236739.7158488392,171514.2232267058,209901.6286866329,393123.6221475052,320604.5799006423,570179.0696114152,390562.4020120428,577016.6124708833,1089037.207038335,515361.4762653736,358459.0589894087,1270152.505661559,327088.537828009,164077.4895718961,356935.5358490812,240156.7502587428,166335.7016650852,215605.8042479692,204007.0478663874,159878.1832377904,1281621.667980288,224317.3922286356,276806.5439978602,271761.0147606693,208823.7916371998,290213.9403943803,227089.5327323415,241455.1212112315,226042.8028418546,290901.0174177074,128669.6022307139,1417071.00636369,1454975.51762112,1449895.310323119,1536207.742053944,1428409.333161699,1414829.94526523,1420998.325238264,1444186.984285166,1339063.691799235,1626342.7077058,1570712.615653587,1477625.618644406,1595698.418784718]
["Com_2919_neg","4-Hydroxy-2-Oxoglutaric Acid","--","C5 H6 O6",162.01591,1.525,161.00864,"--","--","HMDB0002070","--","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",1094751.920209973,868874.2593230334,756970.7452977069,836067.6167055875,865296.1174986048,875587.9353513576,818086.7115787026,955322.5869353296,1121987.572319621,810206.156919803,787646.7529195521,812483.5284240185,1083111.572152861,818749.1463110298,786134.9864021861,730350.6819068112,727768.7086747584,945660.4473044752,774816.4190743938,804945.4878713018,800581.473098195,741695.3508301586,789253.2505161596,762418.647256986,742331.0937843244,694053.2677483856,783643.8990968196,733440.8982022067,855111.2583545443,819755.3826676288,827897.3652650613,1128169.636499058,859561.9304904818,938225.4171788726,1011102.605324819,899662.253846858,797578.936415886,770558.2921112431,1033385.519537281,893297.3388765338,720095.9921932265,784690.0216571438,665350.265423785,935234.7251622392,942980.2944987388,909759.5584858308,890623.3793356069,726321.8080483605,848552.7532123103,894647.1651021764,936951.4897308504,765591.1793940185,888904.6343139316,891450.5888972582,924995.9223334969,904706.045048152,1031716.707594444,820395.8176414034,4456192.11804759,3603948.335774976,3918416.843962984,4168575.643262365,4390668.633933689,3905097.918277985,3803109.54158784,3952322.730660335,4233677.900465874,4352254.65546121,4538705.73402789,5057350.676684903,4670761.287152491]
["Com_2937_neg","Thromboxane B1","--","C20 H36 O6",354.24014,6.775,353.23273,"--","--","--","LMFA03030008","--","--","--","Fatty Acyls [FA]","Eicosanoids [FA03]","Thromboxanes [FA0303]","Invalid mass","No results","No match",{"$nulls":4},2240547.492983273,2926846.95456057,2187984.253227687,2971549.199425861,3019378.478144957,1495456.121162578,1184700.825259823,1820339.159237596,1372837.041498775,1556718.505268683,2393119.64469473,1761686.898944067,1537916.63345419,5005309.382057428,2503016.05928462,1673643.518843944,1528833.989978534,2077132.123558914,1639226.686960296,3069128.712468519,2980672.682833512,2156030.815560737,2987357.425968532,3178020.276186321,2096502.328553539,1672396.123896869,2376665.103951869,1131376.379290249,1727920.822260657,1471697.961934647,2684856.561555574,2064019.049237081,4072222.543651321,4495029.919459984,4527906.515928368,5737701.080440367,4684190.981956943,1239727.428438135,1236990.248766185,5800042.210020927,2337349.631809437,3181270.438050927,3395041.341364671,2196985.894361272,2677694.234284988,2440857.928896175,3437843.06358156,1929448.159965993,3478132.305646879,5971054.419891982,3083800.718644336,1883953.809938414,2558534.437419001,1707798.488230636,3262341.25379936,2395893.739468793,4059034.45895193,1205675.706541445,4644889.87164135,3299745.689298816,4738849.226611649,4567083.498759736,3781181.844800978,3194478.549779509,3655961.338869935,5795840.224875526,2853803.657087123,4569662.262052417,2795625.235311456,2987734.270915668,2990942.380241888]
["Com_2948_neg","(S)-Leucic acid","--","C6 H12 O3",132.07816,5.563,131.07103,"--","--","HMDB0000746","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",4517826.926502149,2008655.464259084,2418017.679101033,1222630.018830655,1393456.244311356,1997832.526347516,1207416.849140157,1363882.685688046,1745345.467032896,997862.6141985524,777082.6582991696,1323653.784401169,840946.8354505948,2054552.956532702,1481633.939488504,1465910.902702888,933264.7302666542,1607317.668985753,2109837.454957137,1996210.32405328,1135465.964296471,1108627.563988462,2202104.105505956,1659513.816777013,1633184.683089329,2297761.808032598,1083033.720651561,2045910.466702381,1742022.061507949,1817356.090379186,3198403.646920756,2562187.809322344,2520766.914983202,3414176.093016229,2109295.642038199,2440138.326959461,2225378.097772164,1327599.329788241,3597359.392648318,2816581.292122072,768476.2536806697,1410452.518296782,2651172.599695008,1855680.389306246,2030865.456684798,3279516.816258279,2400821.081469936,2109395.884231192,2140460.748731666,2386610.235920254,2720055.954590559,1631036.851419204,2531577.642879051,2611312.759593028,7779040.957291238,3073737.390818153,1930271.804485156,1650394.576659363,3980605.49520003,4480342.000861074,3700499.689817288,4086969.384215464,3984737.558961995,3438318.096537672,4079490.658887437,6431064.453930464,5806969.247304909,4126493.456511875,3584197.592211761,3643269.470344909,5184036.821242741]
["Com_2957_neg","Prostaglandin D2","Prostaglandin D2; (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate; PGD2","C20 H32 O5",352.2243,5.92,351.21695,"cpd:C00696","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04080  Neuroactive ligand-receptor interaction;map04664  Fc epsilon RI signaling pathway;map04726  Serotonergic synapse;map05143  African trypanosomiasis;map05310  Asthma","HMDB0001403","LMFA03010004","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",1040485.023598686,397993.5300063994,184009.7920376499,572084.4015579321,359761.6412768053,263208.6022376433,129856.5392617128,183574.8645257389,475672.0259991119,160081.4201531341,189741.8800645738,202116.6609997345,174869.9875359255,210473.7817066864,250584.4705708956,422870.7937234119,257863.9092117348,216555.4662459857,217117.7583294066,370072.1804572409,145390.6463925167,162909.6772567062,125472.3248211571,241140.4853140584,145210.8149106151,112737.105288224,185936.544668248,263320.9675147596,181570.2105359329,103637.7872432747,749005.5613987112,910779.222381274,386974.1886061903,768123.2651488595,1412889.730326234,1023610.258620817,2383098.594563988,2927107.184895494,5486208.148809196,1925555.54069872,183783.2431216286,727652.287367225,6694957.235424328,521243.6462789842,1131817.805088186,592171.500122157,787004.0532365799,3800304.95832606,248079.4094676604,179464.7478853003,478100.4028162088,641653.2636237021,1864722.495057432,1095484.106441269,519765.5240957037,315744.5008504308,519233.0829322409,1518095.743712476,2745540.98913642,2593441.07587543,2654245.450381225,2636034.973495943,2252936.096224994,2905168.347871973,2520218.897265955,2542684.504910615,2640238.388323495,3097702.208831038,1788211.66304081,2380602.226885402,2091068.526492348]
["Com_2960_neg","N-Isovalerylglycine","--","C7 H13 N O3",159.08889,5.467,158.08162,"--","--","HMDB0245644","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",13741060.27490016,5707701.209085886,20315460.36722998,7316520.931939,9947965.476797828,11598364.96789131,10045998.51977114,7066371.145376111,13667595.73190776,9526960.701307893,7840485.796463905,9751658.35244346,14859671.71920691,13100506.51272359,13216874.91649432,10256835.21150645,4815972.760786925,13693133.95235391,15321548.99888788,8499332.911471771,9061705.549331045,5259258.049200592,9434753.312614383,12587930.83520884,10641684.04844919,14317894.08947838,8140885.624761162,6033740.430702691,5604922.441529457,10519364.80677652,10783933.09671071,7225233.254985967,5793442.173370212,8745795.42129493,12650176.5415837,13282323.9297741,3828461.005382989,7574982.31485663,13165730.1273715,13595868.40018634,8931921.753729183,7790627.073041243,9076827.46197913,16102438.89642706,8099952.136790742,8719745.413847622,6571107.201582449,14608703.28279817,4458070.216990475,4210216.930167412,10299977.64258514,6375815.090256576,8471560.433275567,9519154.459116949,21043926.78048205,14582375.72127049,8072039.7210316,11271135.4554769,5082838.80107354,5537276.193390877,4851660.973465089,6192156.433520715,4160794.036371714,5259113.438412656,5482111.566820882,4650463.029067499,5038278.411741353,5926568.962746209,5243026.335738359,5846159.977264794,5403075.815994267]
["Com_2975_neg","Methyl hexadecanoate","--","C17 H34 O2",316.26067,7.87,315.25345,"--","--","HMDB0061859","LMFA07010470","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Short fatty esters [FA0710]","No results","Invalid mass","No results",{"$nulls":4},6179658.232002065,3721165.293572208,4864976.330916316,3108856.845724608,5043151.275602368,3681629.766052897,3307939.392856407,3492790.808108269,3977595.061658529,2520974.357748112,3977752.223823125,4051055.120603882,2964181.494230638,5166078.158504671,4908413.58602388,2904852.918936534,3649146.494898216,3463393.278657316,4597890.482106808,4867649.224172344,3876281.372966174,3935350.523253665,3590232.12908808,3577243.012694078,3654851.698576147,3568356.881137263,3952327.729160232,3017685.394032094,4084575.285002077,2919252.206315645,3263484.494267691,1548828.352597145,3704987.099046629,3538683.009026578,3696722.740232512,3717646.788524848,3639420.091066144,3715362.576827024,2666341.399689263,8607994.024620371,5134148.196449024,2766229.322275202,2738724.701894221,3464255.533150636,3150303.910836188,3465574.239310242,4426096.66350724,2676466.51261896,3901486.943272756,4755712.578192729,4283091.563862371,4077697.046796824,3345400.133564045,1625551.817052274,6459031.759058683,4243406.802982087,3158329.456428963,2603265.066923466,6660559.45658381,6311324.550329959,7458175.616814487,7084853.916753354,6987602.91657378,6255530.354757543,5443249.892146306,5823626.600672436,5373386.562734926,5491390.337437817,4378245.462151035,6974440.683762276,6109730.930762789]
["Com_3084_neg","(±)5(6)-DiHET","--","C20 H34 O4",338.24509,8.127,337.23792,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},642723.5934964977,476264.3161272712,552980.3255889264,482729.345846004,965795.9700227064,915561.5740015972,461789.3113099781,519155.779657559,696278.635194378,828727.6432733582,536854.8647203442,752786.0645502254,576967.7186991965,1094276.392435649,1630657.528227323,748570.1069898072,518662.8373423166,913290.1023437764,393991.6735407063,447961.1361242509,556011.4577585048,423784.4253655264,880353.7387819209,2187357.415178786,443397.9001668671,802584.1004859707,740101.3931076485,420368.9595733797,547558.0442944113,464675.0205958457,579050.0147485096,627641.411150705,1706367.2242867,1176658.598559082,1453899.439923523,1048367.052468937,1176951.425948714,709526.1291808027,679128.7004772762,1506038.328221982,1309979.025536473,653928.3345644905,1412034.924859311,682570.2894444679,307331.9964407036,469219.5347662207,802917.5893558721,438164.4810384331,1270328.661025767,4173585.437148281,2091436.207460428,2324220.978354061,725375.6221106696,252000.1558476055,590998.0285364679,826610.510617522,3714936.778883826,402102.8149082357,1315791.96442147,1701591.046566466,1605145.096050001,2170671.268477276,2832453.448178365,1542451.161386997,1380183.240579778,1631066.155274536,1573824.085302159,1495928.565548426,1721252.24590494,2220271.29572236,1531223.198140631]
["Com_3240_neg","12-epi Leukotriene B4","--","C20 H32 O4",318.21882,8.688,317.21164,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},150355.4858576029,214812.892673781,165984.8741367267,168730.1444331121,112911.9963259884,190039.1151561438,84704.72050629028,125398.2396527072,250962.0235508392,61077.09042512504,80293.387647558,229209.456214573,70602.85003588416,234848.7332116053,261267.5438540181,166022.0589838431,169058.6854623244,107898.3399941959,159809.668134648,99419.55592080294,149140.2644896032,141591.6901115094,194635.0058738214,97622.4121675684,127867.619429211,136083.593853668,137286.9770653521,273878.5107117267,168248.241497301,144682.4782144616,451561.0894569221,164798.7247406396,465081.9715520789,329037.4547135843,347037.6308180277,405611.9056344151,748711.6621485086,367009.1579406323,230075.6169534629,446738.5438084388,73410.15803446727,188436.1783633956,223895.2933800852,171166.3280391582,148032.1564796731,354842.5231182468,221411.9392722251,667779.921266972,183778.3718335459,382847.4475120448,306268.1587493183,312991.6327190674,211314.2787384785,144815.6228849283,245355.7739586489,469602.5863503324,139547.2112047494,228055.5760511876,1338588.34136453,1237502.530976738,1420910.374692968,1358696.82084591,1343079.95224991,1685310.495365647,1385318.025688109,1262501.731571549,1287829.12399189,1226091.438993753,1046050.233227263,1491216.699153888,1222985.191348334]
["Com_3291_neg","2-hydroxyiminoindane-1,3-dione","--","C9 H5 N O3",175.02975,5.378,174.02248,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},107611.9729989621,104045.1619389369,116779.4724849898,94885.04058443935,117471.87784502,117304.0894670369,120408.6813793261,138396.7407405254,185625.7106296032,78413.56677285802,76527.91694209282,90179.51635242668,72313.90447927869,112999.3851543811,114774.5838489127,140423.809063724,150712.9578253733,103589.5871443535,133743.0234510596,103283.1687119137,89559.870284821,87749.55486848517,106836.2680679422,96935.38797627104,110644.5569019842,115975.3773918716,148296.8823642807,128085.057913504,115968.2571627963,113430.9971833481,96674.624244366,216180.2640259458,201210.330361459,329189.1275660441,114883.7182097243,211220.7570303528,109232.8750950763,164082.5862836307,231592.8210640363,134490.9290125493,82485.87574427223,110902.9994587155,84425.33230988395,116573.4370874605,114450.6644986551,133579.8288873213,159782.1195940514,206786.6636133071,171957.7069400642,158684.5494210638,221960.038939434,86902.85171271436,137581.0224725185,143791.7382303373,227304.9627307962,213976.2263557058,180542.6684978076,127100.8275242572,1249180.97380454,1537522.691701162,1522182.657563627,1858665.904150733,1598363.820719521,1022890.608177024,919618.017827053,1220398.930139024,1320109.756415105,1744528.190756832,1907318.201952363,1789832.426277653,1765758.458249249]
["Com_3347_neg","4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid","--","C16 H18 O3",258.1212,2.428,257.11392,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},478151.8928664524,460920.8145344427,399062.9664437156,360187.1892481244,377139.0768230145,483693.863304301,392602.4341212081,401322.963577815,405233.884685476,360031.345051043,370936.4993202506,400948.6638266248,374396.5439698297,483833.7626082898,387467.3562099469,410537.1972434897,371526.5476466189,420146.4539678139,508490.9403104452,456139.6221412121,344061.4400777291,444780.8893027545,346021.3308283201,429712.1863050441,375828.0343099118,355290.0499318964,416931.3139309557,377231.8393932591,358935.4686093592,382104.0094464619,486899.3816983196,564689.0088272144,469823.0270471357,484630.2687407419,552658.0153651988,562317.3500547063,578563.3680620041,419875.5298826053,537205.5620886356,530930.1274154569,342415.5195039364,417843.5804011683,436333.638453803,465255.0625535577,451773.8180413785,504921.5751631326,457988.0346521149,480738.9654108707,599393.5812183608,490734.6567941596,454429.3294160863,457556.67619852,590827.0571492121,527040.364913349,606022.0487702182,475209.1038962254,426771.9556187837,435755.6812672389,1712774.11944968,1178018.59726077,1061485.56152,1433328.069746302,1377017.161560606,1258426.447023064,1286622.086765567,1502816.137621405,1102539.683282843,1315065.919688651,986305.1106366488,1241594.790189704,1155197.253277847]
["Com_3355_neg","Gentisic acid","2,5-Dihydroxybenzoate; 2,5-Dihydroxybenzoic acid; Gentisic acid; Hydroquinonecarboxylic acid; Gentisate","C7 H6 O4",154.02619,5.056,153.01894,"cpd:C00628","map00350  Tyrosine metabolism;map01100  Metabolic pathways","HMDB0000152","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",374136.7120158654,318665.0545245282,249453.7715335361,219763.0963716656,221361.7178867724,238764.3391752063,185022.4452864497,231809.2665059301,238326.7706724732,179012.3039920044,176749.558074923,226189.8162519392,190945.5556356872,355505.7075887189,243642.1616607916,248920.5337421846,136953.9223235653,286121.5911483621,219507.5918682874,319157.2338991497,247245.07212802,263592.7932702032,218941.539459595,312258.7865255115,165471.0637341327,206390.6179698034,178510.4171667798,169190.6516915606,204828.826369248,193802.7381318251,313297.0007695732,396651.9240445668,325088.5660891987,364786.9482417363,290767.0675323614,461373.2546541803,376972.0329258905,294091.4578469433,301386.8747830439,391134.9415342434,223291.7175080935,278767.4368960488,285577.4458386418,219981.8836088111,213680.93661945,298816.5656063337,244485.9401462338,217435.661764758,284573.9940005501,381490.4203572737,274989.904978081,292844.9334674487,260420.113334034,238515.4411196304,236861.0427984504,247105.4683711937,255602.0317467671,191892.6413349292,1346325.27690883,1316000.948912025,1405751.038980871,1096649.403558865,1032494.994929159,922514.3786523507,825426.4503625449,895358.9395346815,797140.7751834397,977454.0071730036,923379.4876809932,856582.7237654985,1038033.198577945]
["Com_3366_neg","(±)8(9)-DiHET","--","C20 H34 O4",338.24502,7.819,337.23782,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},7136847.484160104,4539556.305187277,2844570.575196595,3094896.870431016,5578058.38456037,6915739.125124787,3625768.491019009,6244245.860127112,2797677.927552512,4050256.74388525,3924544.350147249,6406324.200215903,3463681.391075308,5155893.845482965,6322764.649358758,7236088.018094964,4309430.526493946,4496637.184985851,3513059.991197303,5057827.388468551,6719683.044805859,6827162.325399721,3870982.762228697,12436815.4321544,2483919.749133616,4588158.223099764,9033869.681755677,2091125.661683738,5269027.419253257,6059283.618197246,7386706.946545075,2191450.852719815,19002085.03159165,7242240.740755407,4791427.289808709,7451716.089579603,11006878.9718818,5702305.284013254,6365275.497149557,6125771.370462661,8585258.199461896,7356386.24183382,3201255.811523593,4243767.181398864,2655235.00707393,2593826.552814795,9389257.326646311,2886933.367971604,6408071.462455343,5362414.143177914,11440090.54271442,9297755.785407538,6180695.836133195,1048443.384132641,2306576.804664768,5466609.872030881,16919800.87898158,1562261.166960859,3127199.92619575,4826889.92520627,4125336.390936055,3386844.395421801,4644613.106972336,4022775.932979396,2675062.835864006,2909062.096367201,3454543.508107872,2781265.969441298,1905760.913092178,5198268.322955753,4345755.629694239]
["Com_3368_neg","Nicotinate ribonucleoside","--","C11 H13 N O6",255.07401,5.173,254.06657,"--","--","HMDB0006809","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Glycosylamines",341231.5290551567,282419.1073625085,348510.5628218346,327798.4620082455,287183.2497396637,338864.4833096183,280873.9841192604,284434.9088328656,211614.0555396296,200994.9513702237,249381.7587815081,185336.0372394665,210755.648341158,226078.3948090286,260361.0158642711,264789.0415079005,157230.995508539,162212.6456780495,153524.6112083154,299240.1001471427,241640.0550407033,229600.1033828265,202929.0243165081,784658.0420516051,226082.8214908076,185148.507004643,233060.6826883486,115679.7504280437,143302.6214712936,128786.4537473474,282241.7189087781,303327.7534845396,168808.4850514324,247593.9387829628,187216.3032755471,199533.4989440497,152509.7586600314,152170.5163258437,187402.0636308592,131685.0213406006,193065.6909554856,253596.2805347504,200313.3022567308,285345.2868352039,234772.0874670366,351382.1497828709,247828.3976414506,201958.6614624306,211603.768987562,203085.4861643369,198699.2849779162,176699.4180805448,266820.1936890256,262611.1585785673,229312.9256087121,201076.7161442966,178091.3884566529,124120.1211045552,2750503.3955741,4004812.462250052,3536111.16620316,3080398.316786946,3472451.86682722,3424429.005246062,3631700.928943461,3174559.041652603,3107674.645388908,3235217.644099466,2751630.883992254,3017590.018149989,2850861.205585294]
["Com_3381_neg","Aldosterone","Aldosterone; 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al","C21 H28 O5",406.19545,6.206,405.18814,"cpd:C01780","map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04925  Aldosterone synthesis and secretion;map04960  Aldosterone-regulated sodium reabsorption","HMDB0000037","LMST02030026","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Invalid mass","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","21-hydroxysteroids",194901.5705246782,404807.496092225,308799.880723794,556301.6939461654,317735.6813203357,353893.4208272776,425531.6235336118,534091.915731931,417796.5693375281,385913.7208620074,407795.0409447398,682813.9317111353,347293.1009031901,353229.8911411208,426611.7595001495,385446.7568656501,543065.236404133,317635.5467225627,799841.528909208,577261.2394630739,419031.1554934855,268508.9973820959,679370.4502663761,246857.2970560894,276030.8664798609,577369.3957878543,520191.8380983648,1737820.07605059,295670.5880100106,225150.8414725789,583494.9883771449,547144.2021227989,557559.8158877755,866651.2127568133,789455.682799378,386021.9597623799,386736.3143639721,602913.2916868717,153282.6251062437,253931.4035250508,331754.016823995,358109.8557184631,521803.0864067489,593473.7052765375,419373.8039250523,416751.6335199662,309402.9639975313,870408.5432007089,646904.2467190874,332655.6506946409,607965.0953255126,267190.4523193347,489775.4337265698,272640.7768737057,452541.2499519785,855440.1105948125,661086.3922461381,738959.706761808,1600434.35561717,1420860.733839911,2392473.334249432,1219606.411466273,1917671.797831514,1305563.453878159,1400690.213663616,1490156.859251418,1043460.251778471,1892538.770902163,1111697.068824274,1468832.865033124,1859273.704752472]
["Com_3466_neg","LPE 20:5","--","C25 H42 N O7 P",499.26958,8.644,498.26199,"--","--","--","LMGP02050053","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",2198834.884109704,4589528.603849099,2830015.001724945,2979985.707816712,2792489.511894016,3499408.860746644,96939.29995271497,3330103.572916064,3289045.019908233,4430861.536552248,5352023.991265806,10471116.26430628,3135828.889740136,4929206.668728087,5016212.525368046,6060484.13388119,2792785.05978334,3250427.939588465,7594834.468869989,1984195.232736451,3037866.758277518,2820034.190423029,3796418.367425288,2845015.529926668,1182365.774662743,2840920.638988844,4246072.0065002,10019093.73453847,8372391.329678433,5330707.433763371,5466881.553377048,4279970.159188771,2830624.026538728,5364895.239413901,2855781.583693889,7563031.381804631,5044684.909500019,16821879.76335669,6745896.863560579,16628511.17775796,3207920.650088796,3529383.660838134,5293280.084387291,5622010.59529251,2512786.635940364,4594773.586275057,1566340.496324868,6415927.138328082,5208894.916659339,7128054.658180262,6047135.941311887,3021241.909366229,1364082.057042377,532943.8298180128,2809568.349308487,9590043.60141073,3114792.247345294,5864265.224144775,2532544.54920689,1410929.954414585,2792639.785031612,2171489.300942005,2010956.359125728,2331317.598412977,1945905.672497056,2068539.449188172,1659869.65053298,1986113.91466765,1287621.976868771,1673307.161775972,2343378.616424338]
["Com_3470_neg","Paracetamol","Acetaminophen; Paracetamol","C8 H9 N O2",151.06286,4.754,150.0556,"cpd:C06804","map04976  Bile secretion","HMDB0001859","--","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","--","--","--","No results","Full match","Full match","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-2-unsubstituted benzenoids",576334.209602335,310787.7523733725,355520.4975767849,399740.9064595854,467257.6852683779,532280.8728698414,463922.4181287922,503051.9181588895,445214.9335750771,228952.8921661412,382253.2679469164,407089.934210463,227731.0241012139,319473.7630131946,441040.8563732696,696806.1918107859,310406.6496450013,334932.2471863672,417479.4587303739,500132.3712640688,450723.4149309967,290547.3464382153,213814.7244513484,520314.304036072,355768.2691430143,205427.1602438409,351227.5456254857,395779.0552740305,332453.1448362035,364994.8958866127,297418.1349464323,366475.7880553313,285327.883754205,282320.6068510661,405893.265490562,529658.7865869965,346878.2112663269,426653.6581680759,513806.5869394493,298159.2221850436,223921.2820100881,505202.8816886145,241633.0441372545,416083.6189459962,517669.918400404,401922.3410500053,383770.9863477032,403854.7403743765,267307.2935457039,425515.8222105936,369504.5145393322,431252.689876548,482081.1496650658,433208.3367725084,587458.9061740531,432985.4743560484,329167.4025556045,291106.0781759889,1652571.6676895,1939958.506376401,1826504.69218747,1831364.305941903,1701685.251868631,2148116.348654995,2194947.117571829,2061421.312757124,2029575.43311735,1930555.165458444,1896338.913428132,1733282.2225404,1762747.582633742]
["Com_3514_neg","(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid","--","C10 H9 N O3",191.0578,4.78,190.05074,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",2228566.17475407,633975.9249085599,900406.4423962488,577251.0558976784,1753424.455307045,1593740.413384845,1895634.594039345,606616.8048432324,906388.9890811855,2333726.971637581,1212044.14403598,2594932.051619008,2324543.569315141,4429946.826956958,2271674.930371854,702966.9364895067,4069428.882202416,2208034.905595781,1410042.399069168,1396528.793052293,2292077.825729159,1535097.301461081,1539834.441305372,3941996.790394987,1046920.700881902,1450234.021483345,604443.5201293053,2686136.94271088,1815712.014554051,1000653.351430992,3718038.329375113,2913068.617826711,2729360.469652059,3676792.625855528,2600397.698890779,11753098.7613379,5439142.129268216,3624197.877916367,2082114.893164683,3549709.429269495,2187456.777888343,2925085.802582456,3906690.448748033,1463109.093256118,723794.997730083,3272249.736391756,1255263.192348658,2934888.803962801,3306796.402137329,5403212.161386916,11589553.58429916,5538282.714282227,2472082.21975111,2012024.363003579,8893651.394561173,2605724.796315494,4817015.79426253,1594075.217112557,1776696.46040065,1666735.25105258,1607496.61356908,1552875.828060792,1773856.844114664,1436165.006752164,1365905.634683386,1497505.790730524,1750397.442971085,1365759.390870011,1759140.923448024,1384340.745259776,1639626.806735899]
["Com_3670_neg","10-Hydroxydecanoic acid","10-Hydroxydecanoic acid; 10-Hydroxydecanoate","C10 H20 O3",188.1406,6.098,187.13335,"cpd:C02774","--","HMDB0244272","--","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives",12098296.12866144,12146705.85666488,6367807.68940368,5093591.156094351,2647752.502551474,15048009.58184876,3985230.658019344,2884214.681852353,9341690.211739786,4840734.597906664,2360623.050769844,4151913.425645886,2153577.292716191,10416251.55905399,13368488.36063608,3720763.585475186,3713461.703492628,12493237.40700874,10153601.21089636,4940244.080316867,4528616.518395155,4776145.486966704,2981183.227039096,1667921.14061412,1834585.103386571,7866909.599218584,5920214.062221703,4493828.821598729,8438345.116050325,4787098.404247407,6969587.154049885,6344276.939763349,2979455.975786217,10471750.70958878,6083974.202005867,2797549.56773666,4833707.733782726,4254375.523479295,8288800.327296078,3392944.060561317,2108828.780156048,3266730.349039823,7204680.562485231,4427209.113552232,6526048.147630042,7424429.047041018,4591166.567408517,1150162.642778288,8277880.851819823,6696344.567634462,1334599.181595543,2302761.566241059,7972791.005730696,3010253.987546186,4114390.318952536,7064541.115332564,4770852.708572901,10838994.41844352,2680945.98139885,2653325.990825823,1946359.781352203,3357528.190598542,2779858.117224329,2344772.493264406,2688199.87505177,3285735.334821267,1763087.169457667,2593631.064096192,2291834.973563923,2538715.786887337,2559311.291821995]
["Com_3800_neg","1-(4-chlorophenyl)-4-hydroxy-6-isopropyl-3-phenylpyridin-2(1H)-one","--","C20 H18 Cl N O2",339.09819,4.933,338.09082,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1093584.881003353,1043696.205146422,986654.236001183,1046189.059491178,3786689.548555732,2283390.345828183,2157370.561715431,2802493.639399372,816092.7364308598,2109098.705180212,1637772.069085645,2535779.067411798,1449740.357430304,1291690.677809599,1678256.430577371,881580.8336425989,4500985.283071227,2852001.605553947,5651926.610350112,3237795.070941764,4391704.058099478,3730998.288041,11834003.19801309,4579903.718677396,9283704.510903029,2555698.082428303,5858847.652171505,5018478.796331094,1938698.611329687,9034922.002164235,3641360.770994965,2599992.503174494,4917057.578789433,3763379.010097063,3681960.484983501,4304113.095409002,4697371.384879259,4324245.963178366,6697973.615562214,5030985.15868762,3046860.419279679,1000526.180234053,4361581.521146547,4865201.515550535,3383799.75938614,3160149.420521413,1814114.250563275,2010922.887618232,1992025.047814473,2408710.752587374,2937676.06289807,2445628.330355063,1246444.981977831,2359592.087822339,2724294.244579376,2651258.697889352,4956746.630191117,1244574.937313743,2590087.42172688,3254197.617465564,2423863.290763652,2797615.126848964,2626803.672299858,3100361.422656941,2758478.166752549,2551490.067440346,2219061.863263976,3063768.541433304,2907919.776834752,2482279.761736295,2752651.266878979]
["Com_3822_neg","N-[3-(cyclopentyloxy)-4-methoxyphenyl]-4-fluorobenzenesulfonamide","--","C18 H20 F N O4 S",365.114,5.263,364.10672,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1451334.232129672,1375843.921969198,1115274.449266954,1459592.681635745,3220525.130463466,3713279.784639712,4414347.56961509,1749416.568713054,1138694.671656481,5082060.56790361,1327316.027787916,2288505.575431169,4800884.910199511,3285465.416212428,1581599.525591992,1559110.46589635,4687339.803056308,5117342.39709145,5525091.801520308,4202936.87944952,2868316.603688132,3556044.23100675,4670856.355799288,6590121.029730478,4258420.190292821,4263417.525601924,6021206.614790282,4326143.812988771,815013.6030616688,2721201.082352254,4579289.301569312,5337463.8768089,4874035.645051524,3569965.81778715,2516995.027473683,10675887.35284987,3198855.873574942,4684800.302085978,4418739.797684291,3772004.619790101,4929376.310904985,3303198.311530525,7187190.979939818,3680419.261206658,2509068.634840078,3081090.652915026,2517618.059642601,2336841.223616786,2292678.609171655,2301219.415277134,3396859.707014672,2261734.909380208,4068510.098630972,1530660.846249069,3459790.593237681,2731343.87705779,5886604.003490373,4302596.455966514,3984607.80095974,3865667.027185013,3888194.962557363,3960813.21998272,3155296.43404841,3049495.386431667,2596201.313032953,2674513.946660577,3465725.761398902,3117426.468520378,3534963.871050113,3267961.096964913,3538801.262094049]
["Com_3977_neg","Kynurenic acid O-hexside","--","C16 H17 N O8",351.09515,4.915,350.08774,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",178579.1929824261,176908.3479027173,139888.5204227503,136283.6934658827,154282.6861390655,167950.2095451749,147465.6502841435,153753.8299532459,168719.2047102204,123495.2772201528,119036.2039052744,137351.0028544974,136983.5298893465,185127.6914945484,162841.3620836879,135671.5606774158,104457.2859344632,171216.2614425713,183147.2850514838,152466.5221311528,121580.9399550011,122226.417638436,117413.7172357262,157377.4269413082,129826.1756688859,146693.4442130877,137150.5605633512,165420.4010198364,146328.6598436594,126789.3856114178,132074.8866368162,164836.0265640548,143705.8836738435,172032.8595517107,180359.3716483699,194393.2626963356,175872.6219011,207366.9902464648,192433.5309103184,273560.0364714494,118577.6022230138,158130.5496020069,152757.7255613136,156268.8729543131,135100.8915702234,176630.0916114214,173087.3414619222,144080.964131068,150183.2752072011,180586.9901414539,155322.7921566039,138703.2757139575,158355.1110224345,133562.6282569404,181639.005693574,190828.706804727,166793.8434951482,142349.8466562141,1104482.76414634,1577063.381164457,1424504.094646872,1979605.455894326,1479025.720969711,1469760.496113236,1523816.98023995,1595565.946667848,1671698.256310943,1465496.866442545,1382836.036027019,1258542.278062809,1275670.52015523]
["Com_4129_neg","2-(4-chlorophenoxy)-N-(2-oxo-3-azepanyl)nicotinamide","--","C18 H18 Cl N3 O3",359.10323,5.586,358.09604,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},274850.4639274963,786227.028773965,765107.6786139363,1088393.502162144,498027.6470700955,544902.4488602042,732614.7885587357,689982.9863213464,507920.3143792087,776174.2005940316,920526.9982071662,891277.982052027,592752.2862149546,533213.0597447408,1068945.200298293,1024247.361300133,1312561.148670879,458725.9412249773,882716.3656485374,951695.8864000924,917055.034248013,1206697.890153759,909364.8943388858,747619.1748308497,1041912.564366737,1097076.240059125,1082972.117827389,2576071.575741924,697864.6400831435,1007068.723192363,816394.3265927274,655789.4924229565,954399.1120414288,327829.7331102629,1029894.217844172,599438.7352732667,986425.8738947436,754858.623282733,393369.3770785971,699942.0357478585,1115729.767324865,716506.7586223683,935945.6848327748,362482.4715658882,3904412.829968157,240294.075507906,548761.9231038808,2752644.670476129,777481.697846554,763393.2178024828,715415.1340596321,1111393.924659205,1691744.27120062,123575.4755926359,243638.7776591761,473072.2449624378,515933.614275615,731356.4903616866,1713695.10746177,1992400.973716366,1921867.68036274,2056350.415390929,2377859.239110989,2014617.692225086,1202698.307715342,2521249.856793023,1485523.511068742,2593536.655789362,1980808.241040069,1475569.409612108,2314022.941343649]
["Com_4264_neg","2-Hydroxymyristic acid","--","C14 H28 O3",244.20317,8.873,243.19594,"--","--","HMDB0002261","LMFA01050484","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",83270.23554781149,51374.34263666371,45517.29037542227,47594.77680111712,41789.77022544097,51335.8473075345,37742.97648482821,34026.10580676716,48876.77934930293,43000.50580763495,32334.18020043057,38360.05020782568,34095.99218676743,61508.94288018929,37228.66814063435,47571.61276832967,32151.79245672746,48326.42445968217,43881.50327564375,37034.29286508717,120726.3757903276,28608.18846275768,82976.75769594172,35365.53500743023,32178.16964676357,37293.62737808243,34471.0387555752,39638.47236686884,32768.11823054464,37997.7069254387,123445.2647716703,61735.33434397078,73051.60926230904,97306.67328519044,49191.13688629841,85501.09038670195,90273.7548388212,73263.91411868058,141386.1396363503,102996.7266257897,56734.72295915011,68050.17656328576,47401.49702008899,55452.68122121816,61360.74098707784,76215.67284716472,62636.46220267261,85856.41067884096,65539.16709750629,101225.8645731211,74626.9721808821,51258.69043821769,82481.98694490454,43846.94920127513,100955.2544383673,103137.8814263179,84463.01174265049,50183.84047170537,773761.888168332,918776.297229038,1192037.33401165,1184732.684734876,921600.4366619738,706603.9965151041,565255.7698614692,950253.3326118634,699111.1146854598,868274.9152964826,706132.330015874,764269.5568341902,841550.6700930146]
["Com_4276_neg","Resolvin E1","Resolvin E1; 5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid","C20 H30 O5",350.20873,7.215,349.20145,"cpd:C18171","--","HMDB0010410","LMFA03140003","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Resolvin Es [FA0314]","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Hydroxyeicosapentaenoic acids",62837.11715719119,69458.0722036191,38425.78312894901,80893.18874868345,65445.02351008648,55353.95609289207,27534.79589443526,53855.04125121416,65842.76883435242,30550.25019404748,43713.79422671939,44558.94024981456,29030.55464282968,131253.6411957454,54688.79205531126,65181.61213588234,26046.44779927677,34520.15200112255,49804.28739584902,98721.90628359736,50609.84485650928,66985.11131966584,49849.42749777341,55568.45544005907,46720.05728421886,37827.48564159215,49111.7196983936,50026.65990457872,46440.90440390616,35535.81238765635,69978.45099092867,71771.34622111733,70103.31801404254,106341.5817985563,84760.02676304585,101926.8925498788,97352.01320475557,140824.4914199825,121137.5969831315,130489.0997365039,32412.06100275623,56051.84179905182,91170.96041143988,50594.50884285459,41760.82540225202,56654.30749164015,53233.74648066602,90995.3772926007,55065.02817538103,99603.940388461,76452.07980579238,51356.1183630734,58135.07457225043,45202.80082881902,61214.23143027977,64904.25489684138,72659.85610573886,54964.11658770945,289080.771841828,334373.0500462237,290528.5368583992,441735.4006654717,477064.9723704702,403185.9990563797,229294.1033109642,430332.8316697803,361639.1928019583,267352.5143723507,232534.5181493357,414508.4065195783,348620.3313210772]
["Com_4423_neg","4-Hydroxybenzoic acid","4-Hydroxybenzoate; Hydroxybenzoic acid; 4-Hydroxybenzoic acid; Hydroxybenzenecarboxylic acid","C7 H6 O3",138.03114,6.082,137.02393,"cpd:C00156","map00130  Ubiquinone and other terpenoid-quinone biosynthesis;map00360  Phenylalanine metabolism;map00790  Folate biosynthesis;map01100  Metabolic pathways","HMDB0000500","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",1085007.314322162,1345938.499811436,1574866.519680639,725539.1530350776,1813011.614036927,2724749.642329998,906970.0827733572,1654930.66080412,1655405.59338518,1349317.490564886,1017439.599262697,1179546.74457129,1120195.609522391,1034475.423041132,1821920.014660669,563277.6352176438,597701.2700913274,1251819.230230722,1268607.82352923,1637622.878678814,1703888.41150048,665625.4762984376,1671843.332647523,1348818.974043709,926452.7917482248,1378709.0084088,1205445.363482328,646431.675338804,1551708.844547585,1412539.417010739,3636553.11358871,2378739.007910605,3425296.884840748,5899290.142895216,875766.5223540859,3118729.068245016,783777.4820883027,4082807.733346016,11659128.04764571,8317768.531808775,1149672.73815021,1124778.901755326,2344070.269939009,854844.4421701712,973932.4552050268,1255908.810300137,923307.8948227428,782642.6054805014,2534544.084902172,2705176.596456809,2334135.298988242,2177460.214029717,1565564.2605217,1932291.139671633,1375684.851979845,1829024.431920621,1374413.486403053,982222.8883722288,2279622.74610897,2180443.182009763,2457703.141237334,2307467.121167812,1715187.727441449,2223472.717060218,1916635.530550433,2023091.878140714,1743586.863955492,1899479.314681938,1840105.813195326,2964538.151684973,2782781.822611815]
["Com_4550_neg","Carnosol","Carnosol","C20 H26 O4",330.18287,7.146,329.1756,"cpd:C09069","--","HMDB0002121","--","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","Diterpene lactones",92298.99607318746,240959.5953147765,15421.64210842376,522545.632349142,19911.52282434781,16270.9956696298,17313.86627192057,16245.57627492855,25328.24163810937,17895.86518107146,15476.82324038884,24824.48561962415,19080.81438588933,17067.46311565155,31223.50647432178,34471.74857487852,12567.657037732,28488.28797279037,26479.44548022296,15604.68576373986,15131.47038047217,24881.03367586195,14131.37398891132,9246.664150220422,11076.86427857825,17917.59497857144,19762.37492549458,28069.41005961136,15823.10957043649,13490.95337755508,83902.29890509538,67010.01004395544,36414.65993059308,119982.3225982611,278171.4661731307,62938.10281072134,621349.3744161847,597261.4697496551,476819.0239924824,2173488.554724322,170227.6313776064,84744.37582217385,701975.7131036879,121934.5412600728,431826.611538161,46024.86987110012,134430.9057964628,1139263.518421748,62798.38966717147,52737.78734346543,22196.09532816963,123104.9690359516,252577.6719379377,108924.6196528616,51543.206960531,27371.60348000578,158296.5609207569,377949.8227716627,505192.426107248,538488.1851897185,609930.3435219198,559291.4654073407,519201.3172552442,364366.9603977036,580065.7210120991,368075.8193767725,452828.3234156425,512273.4999153943,443292.6571338893,363727.4841883747,488760.6456254703]
["Com_4632_neg","Docosatrienoic Acid","--","C22 H38 O2",334.2868,11.309,333.27939,"--","--","HMDB0002823","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",75472.86425155023,142219.8076688203,219879.1510601796,120903.3183409564,145960.8672214517,220722.5324376123,38496.19080244724,170523.0650125632,135677.7636878428,42219.68585933171,238935.8917996043,234039.4819471735,52380.49602998294,164363.0586124694,163435.1105158216,224168.7198430941,122514.7389018438,67669.82760701046,196424.9787360838,158680.5840698451,110900.4754093137,116101.9236702658,110351.0373662099,109480.7615923324,175901.3054235601,320853.2605525847,98481.21305421724,125394.6552433325,79385.2377842423,80097.01630501582,111624.1572362403,81200.58717246895,121832.0929326959,112394.654847911,152471.2757216886,42037.70859348976,151875.2435738757,198172.849546566,58554.99680394539,221507.7227805447,66851.49141039891,180295.4270570332,188959.3049618421,160586.8412352928,173357.3433497289,121665.5753440292,113717.1342651426,70461.07986004568,89558.88002855667,126538.5032525249,73928.78552850113,133587.435738994,52486.09085955057,61878.29055661638,30812.13260335171,210966.0055986929,123470.759350576,216734.4398857423,2083428.46980487,2135345.380470493,2241683.806659735,1888824.654489629,1680010.093622439,1786827.597882348,1728996.946390874,1676370.995127496,1614679.052644571,1705681.873044905,1490244.300385037,1694403.616622473,1936578.169460172]
["Com_4707_neg","Syringic acid","Syringic acid; Syringate; 4-Hydroxy-3,5-dimethoxybenzoate; Gallic acid 3,5-dimethyl ether","C9 H10 O5",198.05223,5.483,197.04495,"cpd:C10833","--","HMDB0002085","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Gallic acid and derivatives",76839.59670727767,63454.13737765934,53621.66941142821,46441.12966251017,53009.78619166211,63171.98776987038,47831.99235241731,50567.53046704735,72272.83121167496,60135.31563943772,50615.7884302002,51496.08111596598,53720.08583098958,54115.81635458325,47104.57187514593,45899.03558507832,63682.33691030325,52340.37714215787,68015.4733161115,79782.65807222023,109571.0832994022,76402.31551962758,128015.4054956522,111691.054654353,45758.58470178219,59429.62007824032,51072.2268908897,75399.1693317482,53557.38267331767,77670.85239496824,130302.3747142109,121785.8072156759,65039.64119548514,125523.7362212945,70247.95134210963,90044.34702640567,57296.51750179604,89312.2590570302,188495.3521778908,128361.3409964882,57589.92536669458,63702.33370845858,57224.62335721756,54094.27332095909,58489.41497930092,71062.03609860822,85013.4329856738,78976.99024212858,64764.20001358194,110807.2640334113,106978.5553612619,51153.48541889199,84626.0754964898,73909.21466391001,79518.27565933907,70187.93441315104,208310.9944424771,59429.20424441044,1451213.0389716,1501165.332820834,1498306.604494177,1481932.973393463,1547749.409207705,1641471.038708461,1409918.43958008,1338789.546756628,1278316.426572873,1478515.947841907,1450325.991004769,1567098.098576134,1740641.246566241]
["Com_5164_neg","2-(Formylamino)Benzoic Acid","--","C8 H7 N O3",165.04196,5.76,164.03462,"--","--","HMDB0004089","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},54592.84077033123,68416.39706297503,70208.10337047938,81600.54897970009,42905.58655636221,56705.3867531606,56221.40192652969,58757.46246616026,48400.08856017866,62101.1875375021,61566.47316417414,72111.35965940484,53069.00314368245,51558.47354787186,77976.34281916189,67577.38405565215,77037.50744410946,53267.21076969433,53911.76936357424,64828.23373908688,64304.75638251319,69269.19149747396,64168.72214325565,53104.80335081008,67242.94694636333,75874.79284481499,90719.44610669374,85722.3558055343,59242.7949919044,90608.56383237556,79021.71622806156,71936.04655879547,89146.20076096829,104615.3580121721,75136.57696457882,78304.34413190614,85293.04246224306,65362.91433766369,72667.47651132295,62102.55857279104,92543.40036107723,76166.44385751018,71394.07509839552,53720.56915291029,70347.0358481144,68943.10106619538,42797.8840996427,108979.5702112418,78128.03040058646,92045.37194984515,56930.38360278355,64519.5777890593,60881.6170841557,85752.0304089088,52618.09885608003,69525.10382243877,52771.03512490042,59922.92929126639,85267.2730679913,97866.67667815066,114643.6563188511,87379.10401002338,84542.02603261001,88282.3168738728,82208.97632315096,117329.7100254413,93194.62330344024,158741.4680280056,161735.8734492653,123095.1843445893,143418.4185023063]
["Com_5418_neg","2-Phenylpropionic acid","--","C9 H10 O2",150.06747,6.106,149.06021,"--","--","HMDB0011743","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",24305.43552288668,20327.64221562037,27134.78005860937,24634.43728571272,51269.46014721916,23255.42783704012,16219.78241287516,14755.8559732165,23589.82552637935,15490.32268620544,16337.9275923969,28162.3439671725,21151.69576218792,58336.89207173265,18974.27370519501,18037.06530242121,18734.75006766051,21113.59140772987,19825.745618422,18653.13478195201,13716.66400202326,26202.82109835746,28121.59541339941,34156.84075651613,20431.83660701925,27399.21700591595,23534.59727751818,27758.94796488824,14814.78921478434,15748.57583981006,21362.50007168787,24426.88380434292,31287.75851876721,43375.23642202033,25810.02831132501,33801.71037723319,32525.32109632246,24196.75102451712,39352.12566389646,19974.33418711995,37006.38353422962,22121.01876405351,21613.4140394722,47973.5820808322,62265.73571930587,25616.10746268085,22268.44204943851,21681.0812675998,21613.73738876909,29876.5709326055,43962.32459847142,26117.19992679045,29190.36182010121,30034.11308953808,29409.48408149322,25307.3753428879,20806.69711013797,17301.21047591901,387961.496563225,495402.3088113197,253252.4489628508,458424.12516994,405290.2684005824,310624.380877457,391523.9531211457,544129.1473974284,258358.1429963014,391560.2595236544,530118.4921290284,307479.3766000294,443358.5455046144]
["Com_5523_neg","4-Aminohippuric acid","--","C9 H10 N2 O3",194.06839,5.049,193.06111,"--","--","HMDB0001867","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",291560.9394476723,195922.3189002475,132311.84719238,360524.5109173907,146542.8457169142,164715.2261917486,289965.2083059484,323733.6171484914,157773.8170731533,141728.2735364953,132773.5262073809,145798.4711822936,2959976.180202803,343439.5070888441,183080.8132737204,240526.3808926188,331717.2568928258,436144.8029967301,130146.6765022836,232362.910137214,249079.3532719185,159421.7910394153,113144.1795140714,601959.1555613095,145019.4662542012,302957.8695914151,118175.0158584966,803465.7224964726,227998.235089265,128298.6282573686,338722.8452177379,425000.8085188905,898044.3831016566,1985056.358158238,192489.6225224881,3785393.884831502,1021053.78630261,521890.5987469206,526891.957437184,528922.3048289634,133307.7357840754,949411.521459318,559008.1335920605,502037.3857915209,449112.8572947784,591165.0004397806,489236.6961497593,5603112.43275559,256397.3816688969,3263079.118454216,2642608.955898608,391005.0289421045,774311.0961351482,157898.7180925938,237943.7871481201,465513.2881144709,320726.0333369233,212167.0043790604,782635.664648276,1013695.991185614,763838.4754400658,821302.4535050829,724308.2122505496,917800.3514333268,767942.215133323,915556.3087869652,700720.6489246287,896729.4343176088,868315.7060360264,1055518.97141254,856120.0525574231]
["Com_5665_neg","17α-Hydroxypregnenolone","17alpha-Hydroxypregnenolone","C21 H32 O3",332.2346,9.661,331.22733,"cpd:C05138","map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04913  Ovarian steroidogenesis;map04927  Cortisol synthesis and secretion;map04934  Cushing's syndrome","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Gluco/mineralocorticoids, progestogins and derivatives",22366.00396374048,39191.48397388414,37491.48599646331,30088.87114908941,38639.32301083012,35923.16471250919,24041.08265138943,27580.2212855595,37506.96244152442,16295.88404000813,26820.94909461629,40223.83810261927,17107.94370767009,40463.40198402343,22691.58198832221,31821.38599996241,19124.64303058323,29394.65931463592,38319.34713582138,58021.28168513481,28196.89339021608,29459.52444382409,31177.64070168072,28628.06740907569,37829.74565007039,33132.66396155133,22136.22834220689,32929.29605158337,41797.40735115122,27821.64449618422,36385.78812525023,41979.28151338609,33577.71292493416,44801.14913274044,29625.09358514552,79450.9261069174,33670.21221238437,45339.25908689958,34949.91213647598,34421.24141993914,26970.35647773793,19966.05672877502,28899.42172539492,46591.17210247772,28123.95874069529,46636.61347464976,21543.8200028786,40947.75404055054,26015.61310307618,39537.69041600492,25005.59274008089,33089.5645766462,16395.74809233207,40251.75669352199,28028.64242358781,56094.21131912745,23856.6661128901,41351.66804408,154217.502186773,129968.0067107403,169623.2669657797,226138.8606472572,132386.3706117762,250209.1426490018,260538.5301127496,134658.091269983,202833.4671985232,183190.598873122,176344.2357550757,150698.0442971314,145796.3026288764]
["Com_5856_neg","(6R,S)-5, 10-Methylene-5,6,7,8-tetrahydrofolic acid","--","C20 H21 N7 O6",455.15431,4.861,454.14703,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results",{"$nulls":4},623274.038129143,924454.7138375957,261178.6952739441,203769.3002916365,955894.6556583426,916458.789241558,1306792.696041764,149147.7254653479,443181.394993009,1107068.749821982,243649.2382726382,493394.8794553024,689687.735071425,1299669.72529095,445923.5289023145,170421.6703354601,1548164.982370485,1295884.174494905,128131.3352240705,1435985.312391932,877352.8179626749,1627596.750785011,4727709.924568053,1212584.86944309,596356.5808811736,183581.5362362314,798750.7133279779,494176.2995173036,63832.6396543223,1498661.061457475,1849345.263833883,3088482.455781434,2587805.331453836,1071650.964959792,806663.8320148408,94013.43784380556,317875.395922399,389670.6703951042,513704.3032565955,365128.5296328641,3040935.472037785,1358021.946263396,1263787.917935661,1365588.633048842,546996.2274443401,815830.6654952534,2086700.187808149,795305.3698678807,2189573.936369597,1014354.445896688,957415.7890510329,2842053.611700905,591961.8474002706,1453213.565261526,96765.866339072,749613.8970277442,2180936.974119294,1765220.024447045,66780.2289292406,57884.96278500735,63430.50855387601,67030.11684641556,63177.35977497137,77216.51018618024,60088.67945961452,66504.6316328977,64806.91633358543,60229.28082943043,64867.61522468214,63784.58611504381,62855.55986317592]
["Com_6139_neg","Valproic acid","Valproic acid","C8 H16 O2",144.11441,5.934,143.10716,"cpd:C07185","map00982  Drug metabolism - cytochrome P450;map04976  Bile secretion","HMDB0001877","LMFA01020291","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Branched fatty acids [FA0102]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",1641674.336249262,702283.6064066245,722752.1651558073,912926.0057870492,568519.9233817415,590848.7978599889,297434.2397658324,399406.0303336021,462102.8481623964,500749.2561869905,423288.2036299652,364398.134325994,630060.4218338068,1065622.257198497,461505.4849525733,633363.3429875708,666142.5931551795,729711.1841704445,640416.8450018296,718942.9739226429,662373.957249432,317788.9652621819,1320576.412870452,950872.9891158924,413399.023370871,568566.9125807099,408760.9729865508,550851.319365671,807894.0682017503,443603.6022285296,525989.1222357263,507476.3106159857,1325570.255315125,1860139.260011408,1147984.912649054,2196763.918190497,1866998.070163042,626062.220647973,664938.3339812311,1036683.22900619,494092.0149272927,790412.0674885191,1004030.659453998,960528.5155125356,2665509.557213759,2620861.332264988,2026045.920875417,667225.4712089043,1787473.59166931,2542115.140217649,1117739.920439977,544115.3899456968,1372453.543466386,1446992.548384777,3493751.28708106,1147053.341852488,3574401.427854698,482574.4210987556,298553.304172495,361417.8142711152,345530.0338769084,415777.4909033378,450683.0291886363,423203.1729240353,502161.3496929871,374150.2258179242,301274.4113255682,341971.2460041327,280161.1270777363,349017.6057170492,318779.5875463363]
["Com_957_neg","N-Acetylvaline","--","C7 H13 N O3",159.08905,4.99,158.08182,"--","--","HMDB0011757","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",1531955.747396915,1392787.121881981,1297910.885350422,1303540.500243546,1514879.41019595,1642735.431646418,1250693.470431882,1619448.566486442,1738664.35606536,1522354.819338521,1146403.912148888,1240737.314516063,1266768.219188308,1649229.846446915,1564597.05629327,1572675.400649595,1574921.145251459,1737512.673485457,1644549.024469206,9236969.830155907,4691878.900726849,8658030.39053489,18648585.40067204,6953876.881616628,8821875.245881699,1875055.135267518,5695894.852214277,34096750.00877693,7363482.339106899,4988724.702403013,8535437.503801366,11674302.64881893,6142993.030652229,9178183.41640089,3423064.632068945,23478378.45278713,2968828.540189811,7913181.645251584,10336169.72104884,5809104.542906099,1215973.601295705,1695407.771292089,1821194.990140132,1434663.894058048,2133871.546637814,1836830.68000703,1943012.560187262,4824552.662714021,1712646.742874847,1661234.081616231,2045904.11981307,1616455.031442254,2097350.473588313,1937729.250960526,2581665.968667242,2056610.511583471,1710344.98397643,1611144.562087725,22019214.419209,21864978.6416552,22964283.91774559,23622294.39268626,23361401.79633003,21092563.65916111,20245094.5216661,22936012.47881917,21397201.38063328,23537457.12262723,20143152.24768302,22832560.79560945,24099802.91171392]
["Com_1275_neg","Asp-Glu","--","C9 H14 N2 O7",262.07949,1.437,261.07227,"--","--","HMDB0028752","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",21779993.53603588,18508517.28703199,33865565.01716112,24890357.53227019,33790234.7661668,37913381.45238481,33925450.92704148,29134930.05062756,32279961.15519876,24933337.26035982,37889311.9668362,18875954.79924941,24196776.07598805,14655685.80602588,22694034.38301972,32780117.15648011,22678479.78371001,12623826.67750013,36094234.63881184,18697251.97224634,23832196.89407738,34545293.8809358,20384388.12680933,10750477.97995043,23473768.41502704,11853603.25872846,33961292.10866994,19272637.08202156,32205184.16851274,18968998.10409779,7752516.953421386,11570370.43340459,8353801.074544622,10177872.87775441,8210650.094941738,20084387.44611565,10112227.08593851,12561973.91988237,17276589.09308856,11142393.33828509,14468530.50561765,11759510.37370671,11982193.57757386,40032723.32381453,23525186.17802054,13167355.54935681,14284366.31989596,12160675.76420362,12183997.05296942,13224811.84289415,9604541.249425234,9880602.140974618,11006874.80319694,18585882.20030305,14310590.71085483,19455061.88082052,10579848.4198818,24703411.5588891,39633179.273838,33858000.48541589,28354671.96637792,34257951.82204615,34680804.9275336,33521385.43204553,28635537.82240251,38202284.44454292,35123863.36348096,35809946.93695946,30359332.71530866,30266628.02773608,29638078.92287201]
["Com_360_neg","N-Acetyl-aspartic acid","--","C6 H9 N O5",175.04751,1.493,174.04024,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",9391377.652201105,10271992.72948442,7724703.487823714,3277943.169628889,5156204.382268845,4342136.308579737,3967153.653713333,2167051.375184123,2267701.067114546,5159922.129824207,4067699.138151505,12862032.41979102,3663676.999853543,6069170.88813237,4997879.361551387,3367292.522009532,2828955.275446362,2245228.52345957,2237633.293946746,6109355.37914684,7329191.1568803,3150237.791326355,2989646.704689479,4255991.922029603,2370473.378949481,3802070.134159466,3392676.06382248,2017261.314038728,1611722.478749018,2218952.885186395,6683662.577464741,4334862.486300899,5141065.561165533,6938935.773075637,25203307.98606681,7130277.192754156,3960984.743532755,2260129.56441924,16258596.80026376,1981241.602215051,3184004.881780409,6551999.019566431,7960689.246651899,2035380.175298944,3620936.170693536,9559201.493329205,5446494.244848181,11080269.33405656,3544028.116874406,4328013.831254247,5323554.797785918,4678843.766280917,42602813.8436676,2235644.069941853,4288125.617070338,1940680.4411701,2254608.525216446,1950832.043623767,19491950.515261,47808928.69310449,35818202.60473625,31036769.21496845,33723849.81806944,28937052.35764411,20742662.43523212,25126283.22600967,26122256.00618241,28903425.63498765,26891701.84840216,25902274.82584842,33891272.34479412]
["Com_2277_neg","4-Hydroxyisoleucine","--","C6 H13 N O3",147.08896,5.071,146.08165,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",17079642.17905411,12173579.63143728,11499923.71469787,10788098.3646234,16691979.06386809,17131183.27580475,14178962.37665095,16432084.52142101,18940377.87043336,11601824.48211431,9656065.285431422,13619743.8818413,13604615.78251428,27111851.25226046,17437919.50855321,16960384.45720726,11066015.94959461,25433430.86626853,14081464.11239741,2827497.833623897,17678017.99019764,8824955.592407938,8430919.241818959,23618633.23270463,11485553.89791245,15716968.47504376,12656643.02850808,12484935.66032858,16709656.42993798,14699756.83565939,18594861.78088018,24953850.09452693,20541917.93019852,26532273.97039308,20251860.20105279,36432621.11757617,33504478.6545581,24315543.84584113,21926766.20286393,32211170.84577868,12551765.79396298,17666201.03892957,18526307.36051971,13661547.75919167,12458352.53800856,21575885.3833391,18993362.2279933,17142361.78663958,19219628.65943626,23747161.18822302,17403630.58892373,21034600.91237234,18433743.79799033,16406720.77943039,16693723.53168955,16865858.13898719,17714278.82967826,13842146.91772132,13505349.8494225,12923109.45528238,14257608.14091371,14273677.33508107,14951446.48010415,13418161.795435,14276383.71829085,14930153.49471568,13329214.93877621,14235744.23352887,13838020.00933822,14088977.6624809,13817494.91501072]
["Com_3474_neg","5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide","--","C14 H18 N2 O3",262.13129,5.207,261.12405,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},437677.3051318731,394883.5736773569,393165.4594890332,382691.8638342276,504777.5004543374,443634.3192166085,435716.8076835834,1001482.615567665,500891.8607635928,1336373.639527162,589166.0833266895,759647.9991831857,705443.400912742,849073.1733466275,502181.9512214481,175596.4752657609,356057.02934279,786922.1145460095,844048.2121262634,371628.4988263543,1430836.681168904,130772.8816804608,338547.8906981278,610350.201279564,184285.9076500513,344176.250033329,427497.6232091417,247984.519845648,519378.5658774606,461269.6222326036,376548.4126094946,619527.8484151565,399607.9144572067,651814.4854400987,310538.3221569668,567372.1866143189,231410.9217313992,451954.8825340078,260674.05460327,1089196.786742957,1011342.316234955,321978.7574442415,672821.6636546942,581108.3681919124,145892.2485465572,277442.9174461636,383946.4522579447,150355.2617300245,461420.6480918064,423936.9984000819,407381.3398155369,359392.0107357801,400370.9160320321,282183.537019094,601363.2172868679,365898.9902304821,840122.9818515473,446519.2431170115,1215874.39074693,1144525.933647129,1164879.10345848,1288647.577775103,1106363.01578867,1100635.324562297,1274107.990887922,1127632.601048571,918227.8931733716,1250232.12563808,1024453.270328638,1095429.904869525,1500454.684386773]
["Com_2291_neg","L-Cysteinesulfinic acid","3-Sulfino-L-alanine; L-Cysteinesulfinic acid; 3-Sulphino-L-alanine; 3-Sulfinoalanine","C3 H7 N O4 S",153.00909,1.487,152.00182,"cpd:C00606","map00270  Cysteine and methionine metabolism;map00430  Taurine and hypotaurine metabolism;map01100  Metabolic pathways","HMDB0000996","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",3398731.898291813,28997564.739916,8178824.061012696,12978413.59376184,5330461.305006001,15747435.83334198,1156505.223470136,2370541.681688729,12367653.86195632,1967829.935078568,1343878.021073454,12244428.5795242,1244854.416628768,11739358.37430535,5045120.382477045,850967.5591854346,6180114.451472269,3756606.002258567,6566720.184415211,26762069.32277285,7010935.191115005,4839307.38700088,20538923.17047158,10699126.94838939,2699644.816760965,13583131.21639809,6750767.409014634,18535910.67401835,1009001.536198544,2915630.162540231,7986033.03525849,6736197.442888218,8999221.999940867,8826901.662027294,4395982.736347355,6289207.830845678,9641864.72618052,4806211.946137243,11157181.17193064,3955014.192274442,4395441.479670593,1586123.40046905,10090614.12184139,5269389.143950914,8959052.916165473,4312783.557437695,3990306.94400482,4649933.621266774,12271114.12969626,17274707.37506518,9257997.90495986,2336848.818136872,5306221.617378705,5487013.89422608,11406848.14995244,4278329.423928801,13060922.88415871,6054546.671048284,9985078.48084126,8996634.158752322,8271186.821786591,8302354.507309763,7098953.117433626,7083279.85449323,7689516.653388449,7906279.04120313,8037426.304017863,7385437.669217807,8632855.204061823,8482800.999938246,9869780.894444942]
["Com_478_neg","S-Sulfo-L-cysteine","S-Sulfo-L-cysteine","C3 H7 N O5 S2",200.97611,1.583,199.96889,"cpd:C05824","map00270  Cysteine and methionine metabolism;map01230  Biosynthesis of amino acids","HMDB0000731","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","S-sulfo-L-cysteines",2716938.525999372,2156358.811365359,1878638.386456853,2747074.475935352,2305942.98419949,2233396.089214826,3638759.239142451,2370904.945025501,1977307.338908249,2261252.41219147,2023641.671648843,2115143.996694051,2688049.688712535,4564624.40140065,2039627.36573311,1820323.70009197,1806165.219820784,2445062.290023183,1922927.505947044,2137016.658004771,1986870.821879557,1753890.01697026,1958756.612809877,2150010.457217184,2050194.952741729,1833220.532983754,1944835.410484749,1608918.278279956,2178765.829207641,2034456.336589804,2133816.721696898,2915384.768973022,1991357.194283873,2328473.451333336,2053212.832945919,2232767.983996905,1979419.172389583,2648736.488410991,2651706.76756136,3772443.878909205,1787123.189728931,1962066.700466072,1765040.19517666,2321051.197752973,2340274.032942975,2395017.02161728,3346246.020844755,1802574.324036468,2130461.027366464,2220321.613663869,2325311.837730334,1968700.651917946,2206069.888823479,2212388.39986255,2295640.693919204,2245285.587646566,2560498.702064788,2036045.758285741,5502546.1216155,5455503.076491771,6616541.115656247,7043237.063799125,5689144.698563358,5832752.017551825,5394291.277201551,6172490.012289557,5921969.427344216,6027886.379897502,5937260.37652385,6330702.65852302,7518393.312341882]
["Com_1124_neg","4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile","--","C8 H7 N5",173.06827,1.557,172.06099,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match",{"$nulls":4},4787252.418836976,3189881.805260808,2960404.173916027,3222454.064329308,3411160.299713435,3303842.343573644,3111089.773309112,4333542.532542317,3124271.54698804,3434706.60996441,3201265.92277975,3472472.482183434,4016839.539288784,3190912.520631612,3360871.810743023,2718224.331914907,2671843.63828262,4489876.619036105,3022724.876498722,4488908.416711161,3629049.334303061,2594513.41032597,2897570.68591951,2799053.309245785,3032834.583242415,2902342.861923621,3000388.498310297,2432433.731105475,3223028.301172582,3009552.592769219,3156535.498835837,4312701.9403571,2945796.426986694,3444489.413029591,3037298.905739709,3302913.193287583,3054327.46946249,2871121.435537581,3966885.843511766,3521922.851325871,3344958.557806653,3089862.70492471,3413946.55362144,3550899.009335824,3461945.905135483,3542926.706019535,4048263.10846164,2666531.659095007,3151571.451001013,3284501.391848215,3601982.192012195,2912280.811736448,3263418.946050093,3627710.741482371,3395920.216224364,3321430.369518676,4019194.565786543,3011903.809701229,10649337.4776163,11398621.76842946,8450258.778466102,10104185.59756239,8406090.334463513,11612226.6448089,7097981.398903998,9538918.91967203,8305515.830725396,10285358.8808245,7987595.255698356,7534126.679920187,8115209.987512184]
["Com_968_neg","Tetrahydroaldosterone","--","C21 H32 O5",364.22439,7.239,363.2171,"--","--","HMDB0258895","LMST02030275","Organoheterocyclic compounds","Oxepanes","-","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","No results","No results","Full match","Organoheterocyclic compounds","Oxepanes","Not available","Oxepanes",86248.39241934527,122712.7055462909,35185.17287909515,26630.52113238501,23670.05564016093,48919.30177401689,32665.31633500864,41531.68261548867,68690.26388870823,37053.23432144473,41913.21897296802,37743.47659520925,30290.29158948899,70796.82849038579,52653.6998530261,25089.13897223864,15623.77061178565,51404.71875279157,57694.90278313602,122614.6241804312,162945.5050010596,125173.5342977338,136939.4448092764,344927.1726752293,196794.1149803688,64549.27160400603,36690.57420964837,34915.79884456307,70620.08589234571,83869.63861495731,180924.0629628801,159369.1278425188,102329.3674215736,147001.0220129331,73516.51675337201,227124.9011882434,50131.9732143189,51884.25402747416,138695.2824043613,136156.5286734561,44940.8332199541,77119.65346544176,54662.12730720054,57265.86171826281,31468.11376941696,26593.39225256884,44416.02819029235,44231.26531667297,55964.26041730234,59388.256475382,65608.83112358113,65223.29339873192,106144.1356578507,25972.91760275751,103669.741332042,63775.99527462554,156374.1140174364,64014.49281684479,15935219.7358021,12698965.01956626,18107650.76969562,17117256.9199421,5177362.511653678,15093315.27431142,11814730.0943754,15351371.50273924,12846923.68755254,14551042.70156048,11045215.7751142,16500125.87198201,13549416.76879008]
["Com_35_neg","4-Methyl-2-Oxopentanoic Acid","--","C6 H10 O3",130.06255,5.884,129.05531,"--","--","HMDB0000695","--","Organic acids and derivatives","Keto acids and derivatives","Short-chain keto acids and derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},6043975.512795435,5158500.618275985,4729351.470224119,5513393.976504453,5255974.028063193,5647278.538962322,3880381.420642444,4981520.757544232,4949994.651338425,3480860.945149349,4428206.953389663,5710818.058532773,3865127.652490621,5922657.207274672,4560284.949027889,5037989.451487921,5062634.431413013,4493412.741810662,5748729.87061389,5595167.778487433,4998480.210744683,6070619.940424449,5629003.489556281,7075770.269483841,4946527.348412805,4420735.481198963,3282860.209777453,4602628.116819733,4737688.83097142,4316371.529125708,5762536.827300157,6569713.314684927,5953211.444718977,6659944.900289199,6759985.557115384,7747509.854830442,4730787.481883974,5307573.910609249,5892365.60756605,6432984.082286411,3753262.549430416,5870686.293098393,4498235.344088146,5831545.900045256,6704385.609551348,6160642.598930388,5635352.228607586,4491818.697407337,5571702.791411581,9101096.8793969,7206759.002905413,5557316.435501538,6468878.049556934,6613668.316393817,7241819.556179918,5609881.640011206,5725721.273614515,4444365.439249391,181608158.956584,165834144.0466235,168180465.4311261,174580763.9868104,195196313.9740276,166696549.7897246,121752118.3124228,183128518.5762981,179734868.3948471,206022431.4626225,179625695.9755872,200143891.9493535,192209490.6310605]
["Com_919_neg","LPE 16:0","--","C21 H44 N O7 P",453.28463,9.534,452.27753,"--","--","--","LMGP02050036","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",2541696.38248599,3573326.290110522,5605498.636492912,4222174.564999076,5623256.570682066,5557543.830053246,498715.8693886168,3617666.153171213,3578518.435113897,3669680.647784461,5432553.540855135,7257402.941892569,2665880.383027371,3995007.623313801,4648995.864636127,5419117.928607738,1892978.498852988,2185718.87607743,4761918.238522599,2883249.735840656,3737508.862762757,3144911.568527998,3058029.989567119,1794290.827104812,4105840.510999343,5664420.628287156,4373647.04938873,3955955.979900667,5327009.992427252,2726567.545789483,3218218.3769128,2962884.261208786,3498039.526789676,5263027.354409847,2888757.435298719,1085882.940836811,5304444.526594971,10257445.39897039,3310729.551100935,6606608.914761933,2454627.484221255,4504578.477316365,4914464.069354589,5080805.548500762,6653367.486600423,3968198.807949456,4644504.812964017,4208298.43065069,3373908.947738064,3269742.081543539,2787084.599053231,2094258.937728694,2875461.807844764,2009344.371617747,1537945.754269875,7583555.416794199,3469560.351989525,2923696.101252587,17201457.5615952,17672045.55976755,16463475.69407218,10601210.45945828,12645392.69783233,13096581.06670304,12496536.8138052,11449270.82032449,9524698.45472351,8811702.89677472,7160872.73565314,8403961.682378452,9027732.521851212]
["Com_26_pos","Creatinine","Creatinine; 1-Methylglycocyamidine","C4 H7 N3 O",113.05886,1.377,114.06614,"cpd:C00791","map00330  Arginine and proline metabolism;map01100  Metabolic pathways","HMDB0000562","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",2325107202.675114,125064455.2749901,2386122998.255808,128872213.6805609,2639471241.521602,2264507782.635173,83046806.29836962,3062418360.988935,2779621282.382663,2248512303.986862,2844860625.749115,3100810042.075901,2552778586.173418,93077046.34729624,108825373.5212349,2385397363.172478,67906277.36856176,2557396670.477519,4191636593.536705,2850112078.999816,79769544.57160129,2062725679.511658,1681701446.023801,3239935471.015879,2995293905.199193,2853731939.41991,2492313484.549367,2493478093.542882,2612417519.739955,2306472407.647181,1907541146.28789,2062973183.02426,162808271.6816597,2403833296.831951,2956112750.479054,2614422180.914881,80119966.87406704,2264057291.065127,1806342083.375953,2089907753.214096,2142229447.297121,1882224021.945774,2146450212.143802,2051312902.513984,1623410451.264187,2157055130.56508,2024731034.138854,29397287.12877429,167281425.6174183,144442949.3629334,2281964611.568725,2449753440.943481,2004530024.183312,2076658240.337372,1573816098.970463,2375680076.440601,2266446148.399525,35763450.58467839,3078992042.45671,3333902740.113188,3438676368.622941,3566068647.383684,3453697531.720504,3766026057.295053,3424996537.973431,3351758780.650432,3575202865.878097,3547574882.904033,3829175390.13697,3224084952.037264,3533720327.990615]
["Com_68_pos","DL-Carnitine","--","C7 H15 N O3",161.105,1.31,162.11224,"--","--","HMDB0000062","--","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","--","--","--","Full match","Full match","Full match","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Carnitines",3222648003.358647,4193104257.391711,3529790278.047659,3950958397.896407,2524342778.689481,3636097801.58876,2426897750.625934,2928809624.765724,3564783777.807291,2993102151.636242,2907763094.709005,3507975701.80001,2396963649.839579,2881894582.131927,2857835355.903469,4769580707.497902,5124698772.557099,3330690936.20342,3288125127.265826,3568857126.630525,2572304240.977984,4857905022.280384,3570486764.772275,2842481685.742405,2690681399.658394,3119663968.556556,3026142622.423541,4467753852.259946,2406703414.318127,2455124720.497049,3508948609.598783,4755578425.276159,4045982511.371936,5315669112.115154,4444878423.574702,3735660071.833182,5172115742.487957,4766011133.587613,4184326858.77007,3343893975.440223,4173477135.690876,3529211966.57642,4348014068.93133,3337476875.401489,5202040807.993255,3302238875.59605,4737520851.63281,5572378393.491568,3393941776.505111,3567786743.275379,3301680750.409213,3273187796.610319,4686577631.75066,4222944805.70275,3869535824.508387,4482323264.013981,3036146243.133141,4096050944.077541,2939048776.86094,2864123061.850637,2836935560.296367,3201883339.539222,3218331563.324428,3105279923.404,2988473662.088785,2911958697.394127,3075332014.855368,2983755413.802643,3182660660.259629,2960021809.176969,2733657801.087531]
["Com_98_pos","L-(+)-Citrulline","--","C6 H13 N3 O3",175.09563,1.329,176.10281,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",111327433.227048,95091939.57485493,187872070.0227017,132473516.095518,115279678.5215492,106909057.7007655,103850542.0944511,108392071.3027262,208388333.8622933,119398973.1176847,144067350.8454806,225823133.1784339,145944461.5638737,126028647.2167495,162566168.5428219,242790395.7580549,340925066.7789081,144882406.7752679,146733409.0236807,176050494.4503745,119771439.6579824,136942301.3305321,193292566.6125749,135616981.8293412,169466228.5795709,175696964.3498738,120336166.094358,273947269.1628831,281120675.3696893,241565262.8379971,96260621.5700991,113520922.7574782,116223521.24176,96275331.75501902,167190266.0888507,229127237.9670648,250593941.5820815,93665314.73435196,72030327.2970457,81949512.23732512,107786190.2298353,246436241.6861957,121762398.5426486,102258334.6826068,175603307.8895274,180711806.2205734,227199281.2254527,80649794.05863543,115155424.5936046,169011677.864435,181345532.0805525,150271709.8810259,151188028.6250238,258752447.1757863,123357330.1908914,144911340.7853022,149678966.1971559,215408216.2269997,386619799.845752,378235007.9794299,363309631.1948433,393539133.264697,396631456.8606604,417176016.6934497,409036860.8280441,419576375.4544201,399031837.5260097,395691216.3283675,431276144.3761657,383515775.628389,399697322.0869792]
["Com_168_pos","Spermidine","Spermidine; N-(3-Aminopropyl)-1,4-butane-diamine","C7 H19 N3",145.15792,1.099,146.16519,"cpd:C00315","map00330  Arginine and proline metabolism;map00410  beta-Alanine metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04976  Bile secretion","HMDB0001257","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","Full match","Full match","Organic nitrogen compounds","Organonitrogen compounds","Amines","Dialkylamines",224483827.9029367,299910263.2980438,216040034.7395059,152839616.6031212,288372044.3245572,156117756.5096271,350516685.4657763,178305612.5165329,237600029.0225441,374999498.2115376,241791586.0731401,295259069.6023222,344864841.3330409,294448430.7802692,430752249.9542494,167593200.5650222,848514569.4484551,398582556.3871808,168509677.0587363,277737454.4163133,792271368.0384688,318110838.3982894,2516959810.978141,282196363.5278885,306953038.9196476,358272646.1074793,391779013.5894627,222896748.099437,348031817.9924752,506023445.4010013,1264986508.910214,766850797.4173666,507877613.6647041,737132881.1034198,490668775.7310792,726955406.9495724,347154455.0915185,234193341.258368,566151999.0258929,451709665.9076021,501298770.9244486,841855065.3956298,952102824.4798638,492247618.737751,420563662.7859596,501550689.4913871,379476550.239089,554486450.018447,944975074.3393987,620175717.4461557,922200395.8755172,409548271.0192474,862142553.5471361,1047794866.660896,2515393096.402071,344000317.947179,892872959.2914404,1143697327.803156,476870303.822293,692442982.8339916,581866264.2994852,508804015.1896156,652132930.5802752,688114341.9270294,658641553.4267521,755195158.0627515,585253466.8088455,699117275.1877615,681523191.3171955,594208855.8549596,411083084.6768462]
["Com_224_pos","Triethanolamine","Triethanolamine; Trolamine","C6 H15 N O3",149.10518,1.291,150.11258,"cpd:C06771","map00564  Glycerophospholipid metabolism","HMDB0032538","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","1,2-aminoalcohols",50315511.91231626,59389477.04738656,395386716.1161361,53981617.23483224,373872984.3342956,618250121.4197398,394719842.7954695,503113704.8956357,631419237.2003783,151915122.6811173,205409052.5857534,161887773.6363941,300699912.2421445,212601389.1435261,379535768.9494965,13205611.6365215,51883257.73441225,198644418.9931344,345090960.7636964,235591542.8754272,169314966.5587659,18935609.85288725,88829004.73353532,147749025.5152414,128604519.2815266,382766378.2956296,98518113.9889289,83786557.64634119,304446023.0153696,385090761.7792354,334539220.2831702,405559871.1272437,351788861.3302432,445585727.7553128,16039843.1349665,288424015.1439175,12901003.15750616,372824253.8198205,951925152.3440636,490328440.0222361,102607539.0769156,41353526.05881444,136860724.7557067,44009735.910547,59500994.94022375,68197665.73585367,79594185.6732214,19053799.12880377,498574751.5962656,507912185.5902378,409759409.7491681,382867389.8123893,95868767.85585186,139110988.1547324,62230119.49916034,44036341.45332658,103516531.2828577,82602368.40699807,232269296.858609,229639292.5827592,230152740.8338805,234204806.3929378,236906916.305745,228046098.8799603,229086415.3782322,245565054.5900544,237826876.40217,239412640.9894698,243685448.9524474,228841227.9605207,247970304.7222184]
["Com_311_pos","Urocanic acid","Urocanate; Urocanic acid","C6 H6 N2 O2",138.04288,1.399,139.05014,"cpd:C00785","map00340  Histidine metabolism;map01100  Metabolic pathways","HMDB0000301","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",505968390.5020725,507662968.2437724,501139770.1178298,322767478.3124797,445328316.0820674,511241409.7225052,464663306.378009,92535973.49906144,481775329.9333304,515804221.512515,512812037.628342,543338172.6238749,415893933.3568624,663615796.4651171,556566469.0759809,601035677.8093368,940582790.980817,181184159.0950429,642860680.2587842,501219330.9854629,449767457.1686201,522203341.175359,198858803.7200871,490194761.8733106,587499755.9110866,476459830.0851892,434299228.0495941,922673144.6611696,626947875.7021157,641853027.827754,82986417.71017696,551922596.8800025,580260656.5685413,531126194.0107495,712792921.6477627,384968219.2571113,530698644.654477,619968642.5987166,230435160.9837759,445754292.2158109,267586201.010413,484956925.9230766,621494322.1570534,628081025.6673337,541023053.1429935,362424665.9252706,795276977.2130789,577331037.0847828,640260765.6548412,538959629.9492892,622392593.3107126,470047030.7081742,482574038.9225294,475913844.1705018,412584006.4431135,644862975.8518993,439446608.8780725,524634305.0509254,418429904.017177,621622095.2753785,518868760.3967992,523311492.6367973,521549222.0819064,654245426.2942926,412760783.9407553,380487840.419549,575343506.7547388,594448971.1709033,438403430.16762,106487844.2546622,630158208.2925141]
["Com_323_pos","Ornithine","Ornithine; 2,5-Diaminovaleric acid; 2,5-Diaminopentanoic acid; 2,5-Diaminopentanoate","C5 H12 N2 O2",132.08977,1.134,133.09708,"cpd:C01602","--","HMDB0000214","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",526601814.055233,575588954.6937064,456766686.160817,698639082.5031049,448760848.2075287,426597312.6451789,410422004.1423407,690692024.0608078,643299323.7579767,550111314.7947358,607853847.4130268,765619171.2638642,530946909.8660282,780412301.0450768,588959957.8604294,483746897.2023979,703863420.6517318,628030617.2023145,850114520.0115091,643628640.4157069,538768001.2022408,431297862.2026256,314122490.5833111,425868752.1350963,583183598.1232361,630070556.6041086,575362806.1943166,909030796.7777869,606570742.8741934,430469295.0639252,349639954.92929,386997455.0630827,526871323.7944397,402929359.4045259,704494222.9005163,610683155.074244,376662533.2477534,439568999.6678094,383887362.3546984,466827658.8209515,429305799.7725225,377128146.5053771,556684674.4643877,477072545.5217109,311334341.3172691,404231082.7360996,454550884.4648,433439616.118631,582852042.5659802,483794726.5270736,419921335.9807127,553082644.4602945,408649586.9402769,322944252.5309435,363164690.5530458,495899673.1600164,491544582.3574735,519068978.8921953,307240789.752978,261917521.5918414,238028455.1548398,254568686.9578392,240909885.564657,240680572.7117849,357527571.5392805,245647471.6840877,230111777.081469,236863845.8802277,330322568.5059268,338675953.7847168,214541240.5207184]
["Com_468_pos","Cytosine","Cytosine","C4 H5 N3 O",111.04316,1.401,112.05046,"cpd:C00380","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000630","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",519874018.731024,435288969.6640719,458788180.4653149,483241938.0381926,478933526.8618769,429536402.7177081,410148754.2493151,528136871.978578,529414595.7783539,472774330.6708646,483794637.7549561,502984008.3826,415895291.1216213,534577879.8151141,495093657.4583392,470926266.8268637,573628556.1816201,583741362.5566362,506885240.6366902,423444323.9901424,467464231.8213918,537640218.8455825,450501029.1921178,452728946.4711353,473964816.2678344,528875161.81741,529371765.4899577,598957564.6199895,470534501.5574547,436358768.4504565,507448268.525978,536074722.5021794,653536185.4703493,562203811.6274551,527606261.188053,551462803.561119,561529869.4628658,503582042.7941954,513468206.9984018,509820941.9338394,470784517.5441567,499166126.7516247,522073443.6661779,448980677.9347727,466881786.6566589,457947410.6282178,411329786.8483613,492162326.9926586,530965170.5490978,540295734.0622337,545109475.6665556,506053254.9941355,411934699.7729977,516997513.7501459,429151507.7585873,421991702.4783554,479779948.2885619,349782726.5839856,265086927.830887,283475907.1140368,291244272.7534972,257660400.0800996,264065088.9125745,295074817.6738008,281974823.0327588,266625177.7147217,268655903.2367462,282601237.9007409,271056173.4750202,259660177.9656979,290771879.6952723]
["Com_553_pos","Acetylcholine","Acetylcholine; O-Acetylcholine","C7 H15 N O2",145.11023,1.451,146.11751,"cpd:C01996","map00564  Glycerophospholipid metabolism;map04024  cAMP signaling pathway;map04080  Neuroactive ligand-receptor interaction;map04721  Synaptic vesicle cycle;map04725  Cholinergic synapse;map04742  Taste transduction;map04810  Regulation of actin cytoskeleton;map04911  Insulin secretion;map04970  Salivary secretion;map04971  Gastric acid secretion;map04972  Pancreatic secretion;map04976  Bile secretion;map05033  Nicotine addiction","HMDB0000895","--","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Acyl cholines",41385355.90459478,45068484.0437986,63090120.82745603,53174059.24728239,37005545.46589112,58238904.65146836,58506159.90933208,44686976.0215188,33032698.23375721,37350057.94585658,45403221.05392913,39473597.87263348,41157658.93919753,37850162.68997636,34325677.32170594,84542021.17512465,79899652.49522132,38763356.50181393,39450863.04044637,15547580.74144273,23121107.58089048,91228183.59510732,42628301.2144282,36911848.63918463,33910309.55095184,44747031.47940124,23194884.92907137,139480363.4265974,24623373.07587889,34296657.70594881,92385019.26665276,91604295.75228988,84096115.58691463,106992192.5614746,58391993.30303076,55991344.85364658,77130481.82111578,52736715.65204746,126152228.4432419,26002167.63426432,29844381.90858738,62827371.20043199,66918679.13863488,61333491.17473984,137940577.8674399,75111498.91637248,61248211.17469569,94961761.14091696,99264245.03717224,91760556.2251662,81143144.71873203,64535451.25149702,94989929.67369224,100910753.7925632,51398499.55386303,72612046.10799979,43482004.95852296,55165461.74535316,115789983.193368,71578644.9189906,79401535.39796643,95502221.32105394,85709647.63284609,121811150.7814648,86092240.82755588,108476220.2827832,149816040.5671004,95720649.67554818,122060833.5252377,92221540.3768411,121399148.8589682]
["Com_605_pos","2-Oxindole","--","C8 H7 N O",133.0527,5.625,134.06001,"--","--","HMDB0244886","--","Organoheterocyclic compounds","Indoles and derivatives","Hydroxyindoles","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolines","Indolines",1532449.389834432,1339601.647125036,2893097.798289688,1294819.639660614,1421542.845565692,2717295.448376184,4642931.493498358,3262385.374199982,3400231.451099475,4420006.04226952,4521359.533566213,3119233.618799605,2636406.101723314,2264481.712932701,2983134.439989823,1267181.577014724,1227768.205599324,3282633.170850377,5097592.812370879,1186566.822902168,1373069.113829085,1484521.133305484,1394460.353895984,1475810.348555632,1312148.52776366,3789954.001774659,1195591.924057855,1873434.102056084,1449829.374805326,1519503.576713914,1504328.190042011,1488267.441412081,1490853.286405453,1097869.32136734,1170083.130442258,1548111.266734578,1064911.99674314,1192167.687953622,1145326.294794072,1782849.718227499,3918910.392937005,6020579.988757909,2545843.677282925,1546577.353245974,1179345.698970866,1744173.12121918,3904549.184048214,1033949.874107295,2406259.926880844,2813843.219132382,2794381.353793332,1495777.647122488,3508243.754741021,1760128.398983765,1470921.445233406,7145937.722559053,6408074.595171214,1572654.810819885,19387943.0973874,17287501.61161494,17375476.39680842,18744696.97829875,16449986.54063069,16174551.22752964,16083769.39481966,17100457.62957915,20003313.58495376,19086112.48040322,21382725.69630033,20195323.53361726,19478372.90832866]
["Com_724_pos","Methionine sulfoxide","--","C5 H11 N O3 S",165.04591,1.343,166.05318,"--","--","HMDB0002005","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",9959790.51983524,10889873.57475278,11145906.70070636,11546149.63735043,8432752.40633701,9965074.86472143,9588123.062461404,10617840.51268303,11331918.54502849,7098740.902878772,10280336.76028884,11956468.90610806,9679133.1641362,11550103.78225973,9207987.024626214,10444069.31097385,10417591.3976075,10517896.38108655,13880861.99148162,10258718.41104661,8875981.382194031,10781436.04904811,10629952.97328165,9327755.132817332,11051462.55201385,12533275.55865971,9134483.427170517,12208446.58377558,10933132.72383065,12256777.33012713,9087202.213881478,11172798.5986835,10006832.13010445,35016574.46336096,13904352.41725378,39459620.39572138,10992499.5359491,10420655.01178728,18303298.8999241,11725462.57337541,12334890.88009381,10023932.50976446,10020948.5206675,12546516.9811305,11710210.49479994,11348116.18473339,11638358.474422,11764444.92153295,10050631.57611732,10711335.75764514,13589266.40701411,9435729.634017594,11891264.65195347,15593525.49734562,15115196.82382518,12521589.50050095,13154967.69264772,11928236.77541231,37147805.08028,39573068.39041048,42927584.81213857,44620458.92924014,54384723.74385982,50858540.55191482,46841667.66343346,63447583.90994927,63988735.8975719,63077925.59323066,70636069.6547566,70308657.86185682,65222297.38332964]
["Com_908_pos","L-Alanyl-L-proline","--","C8 H14 N2 O3",186.10042,1.405,187.10777,"--","--","HMDB0028695","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",16784225.55466844,14224675.19683233,16709812.90918389,16657724.55700314,28593697.23726317,21892999.99109978,27780253.67141248,35174654.62829313,20484735.97249604,36329250.97895951,32578086.61225743,23557870.97076153,32625742.29903731,31590622.31952546,21242720.40306705,12210314.86471747,16991189.83277754,30889365.66337765,33090269.57641125,22024442.34584121,43617229.84118744,14145079.46327288,19304169.99514099,29357804.06498231,25308063.10954997,22807482.26255158,30598692.90927501,20892932.64551973,31645352.91847434,21341767.9319021,20207917.12976048,18738927.77055687,16301492.27764807,17911588.09797919,14334576.93562533,13023678.86688881,18557984.58037351,27949089.96281558,18922282.3605123,29957991.27159474,30985207.57026296,17219688.72079157,26090790.36548444,26621050.18146238,12336040.75351541,15219409.77314459,15709512.9784132,11910702.88957749,22453485.74454864,16711655.92492322,13299337.99472141,22351869.97306239,11238651.96973661,11511300.29284728,12823309.74064432,17266319.71398845,27761544.03934096,14777010.35222149,51836416.7664466,54081425.4177063,50514538.19780982,50774014.90075977,54569740.49839743,58159974.92335364,59003939.25766392,55049585.67441496,48300324.15068433,55535203.74826338,54046402.81933301,53725032.9721982,50230514.11538264]
["Com_962_pos","N-Acetylsphingosine","--","C20 H39 N O3",341.29251,9.316,342.29977,"--","--","HMDB0247781","LMSP02010014","Lipids and lipid-like molecules","Sphingolipids","Ceramides","Sphingolipids [SP]","Ceramides [SP02]","N-acylsphingosines (ceramides) [SP0201]","Full match","Full match","No results","Lipids and lipid-like molecules","Sphingolipids","Ceramides","Ceramides",5365501.816288518,8002571.625075218,9153653.020872006,6173968.764053296,9763987.858889597,10220127.73758568,4544950.942074484,6511434.896049927,11011182.41068505,3544176.429146458,4352312.430137772,11137141.41118672,3891562.878443503,11379506.65680843,12513751.95853024,10098225.9755314,5721133.67048557,5638451.004496578,4920289.819185608,12940890.51699617,7167090.11876366,6838338.367954846,4154762.527586865,11433679.36136641,8733383.054168165,8814046.543463068,6365298.256239194,8061109.650074556,9255184.465013117,8948612.57172246,14026037.79222775,11349219.81070548,11191718.95070376,8326729.47340928,6662161.898424342,7359477.427851741,10889964.72878846,16846071.45051133,5944380.364750409,11847022.40443616,8966315.53257596,9646894.653610315,11529866.46975444,9153713.620405562,6527129.660501909,6275425.440671857,7331557.503502569,7440874.767170734,7134223.903518548,8161002.381936702,10412547.08836186,13034677.77110423,4077624.43634148,2783796.984609212,3533824.88789831,8257718.154502815,7971872.816752583,9919052.394508636,27034614.4336342,25780239.92641795,27359459.68953497,24355004.10554202,23605037.77195879,23302632.84240119,22459562.36428663,19693548.9811006,25445159.01715831,23061517.24300984,23890233.95463153,24098267.46286269,22184996.19391077]
["Com_1074_pos","N-Acetylornithine","N-Acetylornithine; N2-Acetyl-L-ornithine","C7 H14 N2 O3",174.1004,1.398,175.1077,"cpd:C00437","map00220  Arginine biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0240589","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",13686781.94577492,20283263.52805201,16845977.14983209,14832260.43334161,18343223.48406883,17420310.83160029,22398761.06910393,24403590.95571265,17590054.62307611,47575046.74738232,23814918.47360878,18976048.35747354,25686022.02743564,18175356.92845821,17300491.54426267,11412131.2219254,30047564.82404388,30998971.51027821,27517833.84442306,18212461.24461306,40677301.81291714,35162064.19392366,24752041.74174077,24200251.08871156,17698227.55871523,17713266.06908525,24542634.37039037,42406893.23918796,32407117.76530552,24658683.2987131,27273432.72961751,20150123.27462276,23045016.86806114,41053516.30857687,14731279.95894944,27086375.21813317,17597418.20350637,25779731.74083353,28346541.65218316,24730834.87428877,20525785.11764365,16470509.75269885,15534646.31419173,24597250.31446417,13896876.16734327,14246368.82281496,12755578.48038134,14839947.89681467,28763525.86495053,22642435.57893685,23588300.38314194,24001616.81108059,20115291.75195013,19877274.50764099,16067148.00635976,18991940.72450898,22187073.50905469,17969998.38804637,27324521.5117763,29633991.36162108,28410809.90869579,32324972.51977887,32643511.68642601,32134166.72436869,30499180.02802176,29879101.95506125,29334600.53584904,32681507.6156678,33293520.90754611,29286855.90169358,31668727.7485371]
["Com_1311_pos","Indole","Indole; 2,3-Benzopyrrole","C8 H7 N",117.05776,6.037,118.06507,"cpd:C00463","map00380  Tryptophan metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map01100  Metabolic pathways;map04974  Protein digestion and absorption","HMDB0000738","--","Organoheterocyclic compounds","Indoles and derivatives","Indoles","--","--","--","Full match","Full match","No results","Organoheterocyclic compounds","Indoles and derivatives","Indoles","Indoles",1077170.502112746,758512.5922302584,1056981.199072492,747917.6927400752,675859.1755725899,619029.8406045024,1286008.802548591,610318.6591588757,795311.0380779081,616152.6477499595,549904.9615919138,674026.9246754961,514913.6434611255,766546.7615103114,649690.1419701022,886962.0697025527,977315.126298714,690836.2664130827,1392626.428116457,1403379.857103752,859188.1890773055,1262986.608356265,885673.8020204981,2345646.576489897,1030038.284484346,695129.4068781558,712376.0661214776,1393444.844003178,789236.1676187542,1285447.249921233,696072.1389673053,1403656.507357573,703127.3971347585,821561.9780005135,1026808.710440072,1198338.647455256,698233.3375055614,757553.379917114,680983.9549923787,631620.417350966,918374.0603778864,855432.877019881,873288.0448455465,779738.6792150796,978528.340910554,800964.1566379175,1533510.929414195,1266655.838138045,877110.9166052239,1227613.118950653,1548595.319413252,1692607.976939787,1568353.836675905,996337.7552889067,1328420.461252812,802130.7493324295,1381801.063917385,1220762.697975454,10861132.4396238,9381881.70541616,9119715.65957595,10485406.1187747,10221001.94194072,11235032.46414087,8058001.496340215,7865214.12329614,12166034.35843067,11676376.3242176,13041945.88863634,11638246.91404807,11565022.23330021]
["Com_1350_pos","L-Saccharopine","N6-(L-1,3-Dicarboxypropyl)-L-lysine; Saccharopine; L-Saccharopine; N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid","C11 H20 N2 O6",276.13192,1.32,277.13922,"cpd:C00449","map00310  Lysine degradation;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0000279","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",12155576.27680586,12994733.53239889,10523271.57643123,22709003.30085175,6619938.622552398,3605620.322597877,9410589.546568437,10309060.7341401,9327593.1866784,8637071.875756852,10796944.89463873,12034509.25112446,9639806.314195024,11063831.95380838,10272402.80340171,51064357.50115022,15202459.90297386,9849522.660344863,7179548.948770222,10001098.59437459,7858887.086562146,5164787.240786924,10221046.89528119,5085964.126924064,11222387.30303707,8557631.978806943,9653095.95916108,12633415.23648077,7561021.30089543,9585491.272500563,14984080.53266132,7167621.468497794,14355595.41667943,9298266.419664573,35282495.13551166,7587260.268330572,11001251.65595816,8151138.470853655,4194522.64549159,7343393.550586483,11001049.03912926,18605652.41739952,10965169.2571284,5883697.8559485,7349058.637561995,8018273.892251078,68389691.03367715,9214557.386260074,15710489.32094209,32847264.01461473,5421432.753222206,8914879.006283091,6539972.495613668,7849373.950138396,5979762.461611133,5522941.622476392,9141378.560887942,10504331.28972005,10800018.4589432,13901798.37938877,13534537.19362587,13953039.57684376,12700137.50506634,11399689.12225181,12531056.90106798,13511811.06600191,11455808.29179912,10152051.94997642,11085762.72892183,11167143.55689808,11496259.7855138]
["Com_1675_pos","D-Cysteine","D-Cysteine; D-Amino-3-mercaptopropionic acid","C3 H7 N O2 S",121.0196,1.356,122.02684,"cpd:C00793","map00270  Cysteine and methionine metabolism","HMDB0003417","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Cysteine and derivatives",78560753.71167502,29716654.07183442,55094402.77692007,49013145.23950829,22040971.18570026,81462854.10556883,81877982.99614538,99061560.72043142,31925148.31323598,137435048.2958603,96308148.66029117,60697406.50708415,119805491.8636543,89649214.23911838,35634344.61811233,84889238.00954613,5833144.307690426,131357936.4737844,38295344.47895495,74527433.55471642,14921940.45089965,29781259.87862692,1390856.795880611,84342945.77042839,75783454.8056812,74452967.2679665,47820466.64290994,33121663.59905241,80167062.12464143,28261255.42172631,7612720.345823259,21447066.06853945,32480549.10517476,10606353.88046424,32252307.48386112,24135849.49967683,24132712.07273972,36584844.27779186,88166671.80189085,33810466.52153713,19850652.20874439,12088359.33347384,7528729.649273749,40823241.1459543,29562844.19973325,39868152.07753633,55363375.91988274,15929513.38672058,22513781.13616897,13106037.52724599,12461216.8505913,32160142.79518208,11270607.67120001,33332141.92054205,1805708.955700965,25248830.11007484,18431609.32165016,4192697.397182865,1377050.59645515,2117403.401484667,1371646.419890021,1430300.266782224,1637539.450902652,1556241.27004574,1655075.543603023,1414729.492468534,1445286.730206373,1314889.258482724,1657304.85133778,1335838.431560603,1438118.12532159]
["Com_1893_pos","α-Aspartylphenylalanine","--","C13 H16 N2 O5",280.10614,5.178,281.11334,"--","--","HMDB0000706","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",2036624.506635844,1190976.259381759,1193352.208494694,1210651.099779957,2218185.003507609,1572230.52012489,2135666.27332597,1946736.583095026,1137189.932853249,34146113.32605816,2915630.591266917,1776656.364519909,6004443.065320137,1309061.056841978,1645544.554254831,897926.5169451837,857105.6965994135,3654818.88403947,1054618.595843852,1194191.808523999,3041234.2980904,1063268.351932,1133002.730534678,972134.2711937854,1085481.352803344,1523564.369579769,1941348.716089904,1173341.907662511,3081260.229235304,1044474.994862707,1447383.871657323,1094523.221480842,1153198.15462325,1706095.833128954,1163501.698371304,2761008.923596283,970292.844426952,1188769.592796546,2243240.68823905,990421.5090733364,2648275.615617699,963922.5893793488,1127941.671004361,1322563.556481728,941466.9488510558,1017093.419673676,1014572.865637125,918214.7956122316,1786927.7648818,979973.4598134146,836059.3752167197,1158603.525752051,1287419.854488474,2050932.849410818,2962638.59655247,1000368.016561418,2497687.14118454,824815.0992387118,5819849.24459824,6548691.952799236,6292149.033673246,5708402.213535111,6619022.17836584,6012476.169688162,5737374.447342232,5580063.08628667,6350213.174572716,5262627.184984417,5693530.038513592,6385781.652174473,6116545.932737791]
["Com_1944_pos","Pyridoxamine","Pyridoxamine; PM","C8 H12 N2 O2",168.0901,1.293,169.09758,"cpd:C00534","map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0001431","--","Organoheterocyclic compounds","Pyridines and derivatives","Pyridoxamines","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Pyridoxamines","Pyridoxamine 5'-phosphates",6723676.035024948,6999528.55520292,5644274.781323488,6625313.722857386,5488168.352674267,5415575.110829507,5524720.138468022,5729139.51628981,5781116.359372893,5492304.291134092,5251842.826981319,5543983.975146044,5862381.789922724,5585444.629253148,4850583.520327379,6559577.245933142,12282197.25664323,6295818.605606746,4768599.980194718,5987697.202451002,6313511.416441043,10282167.73864137,11679961.81200397,6637054.477059369,5336026.622705771,5400908.241919909,5320748.033847944,12641925.18861748,5658533.463615847,10090256.08005876,8939575.874523405,8421094.570150368,9616541.437874986,14905880.75411633,7631141.539514787,9088827.35167718,6372805.936555638,7108057.65110759,9397346.716296926,7798372.319619868,8622772.106952172,6529011.747457189,9145484.486568652,8068251.436884933,9463812.319606086,7769871.216701198,6078984.738666207,7588886.89310002,11891886.1973998,9643255.906091362,11391689.9771001,6712268.331671647,7784546.692560482,10982402.77634287,10351364.55248249,7655141.367984429,11576948.85964153,6685659.809156337,10387502.6747186,16354067.16658869,19122238.58658635,10752935.26867943,10997148.56821052,10619718.62171953,10631439.80703817,12214673.41819332,13263314.66511609,14061147.46141859,17781919.67931332,16241351.71308074,16201032.72464634]
["Com_2399_pos","Sebacic acid","Sebacic acid; Decanedioic acid","C10 H18 O4",202.12036,6.006,203.12773,"cpd:C08277","--","HMDB0000792","LMFA01170006","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",3143798.041177694,1765602.477778877,2417797.547330084,1848722.404034234,1470442.006253554,1495431.271491934,2005206.203065058,1331330.753510925,2014803.640178548,1653992.397305741,1331516.624279954,1517939.058926972,1522902.178357742,1911808.371483183,1575303.293864021,2458936.631551852,2455149.964283326,1778020.368457318,2129674.59855416,3284679.25497386,2163288.466253396,2915388.899174736,2330050.409561082,2839000.19765662,2229784.431255308,2139744.449047186,1615702.235571405,4014700.417487145,1996540.734826424,2383044.787613257,3188950.367275818,3158646.63380621,2804027.139433109,2912009.527096793,2747580.572471956,2630301.563917005,1932567.644090928,1885588.777486798,3142613.595822864,1885193.865412197,2246885.961499888,2532002.306426172,2682271.033123956,1781206.565797495,2693248.612090182,1970276.230535112,3589257.400001354,2816887.659620491,2737658.211524758,3375825.636815586,3624563.15321779,3961631.82798651,3826382.240320076,2398418.927501734,3109233.119509786,2827886.148072667,2357156.717418625,2661013.392463865,13921178.4516182,13780307.27298934,11684854.36362234,12369951.54340786,16223240.31739868,12085958.17194892,13362195.4676525,13052499.77676419,14105571.15667428,12305849.3421407,14799955.37560554,13047688.80742614,12097240.04139568]
["Com_2633_pos","1-Palmitoylglycerol","--","C19 H38 O4",330.27625,9.981,331.2836,"--","--","HMDB0245964","--","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","1-monoacylglycerols",603704.6249162994,1127330.326373348,1399111.236726132,1013317.416853758,875747.386654868,1046303.84219799,382574.1478193349,1121487.353858913,931674.9962600082,889033.7472030529,1548865.491273231,1717951.154034651,791379.9265334482,1078599.82804647,1133856.684346523,1218287.30128327,891075.5708636886,841538.4674523473,1056381.100158913,1194109.626570668,1165817.452819754,626139.0130609452,2186484.780341439,729168.648103955,832530.311973037,823222.7456169225,743507.30894047,1013168.213753027,1242573.825594395,741828.1094494071,1297286.898791282,1319444.269778719,748085.4989208424,1082509.257776034,1271891.529009691,556178.5689440467,2532790.571350946,2277293.982658273,903190.6851701236,2916788.613370831,2069671.211549964,941480.8532411382,1587641.250451258,2061669.402803713,1198396.654499248,1484577.820525216,1130402.951436694,896361.5502276754,1078079.150907556,755942.4172476467,745584.898583632,757340.8609948575,862784.1544999087,886085.053935025,538898.7027827407,1403611.371973774,731919.2290533297,930948.3524461546,5085177.5654106,4842424.211405338,3932561.364626102,6280657.546657338,5042059.042964854,4481069.997733292,3569800.275365963,4977558.710424867,3450267.972269356,4790804.383709276,3108297.511032258,4469527.855807003,3053237.032836208]
["Com_3249_pos","α-Methylhistamine","--","C6 H11 N3",125.09529,1.205,126.10258,"--","--","HMDB0243669","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","Aralkylamines",494786.6513900255,538292.7437413547,372384.2254717495,415805.9807001783,364064.2964886908,303137.1165539499,323648.8258247002,343681.71824714,377068.7952973965,430148.9585185736,356321.5864562216,348309.9758504349,344672.6280850703,360176.3526075762,301928.4543491784,398991.7034909557,572640.7822841299,382552.7504524322,367893.9919907106,363213.7725975483,348772.88916686,641534.2875313518,475850.8756333387,374377.2424063592,373862.1754935184,350759.9168657267,313907.4846447472,773723.2032745377,371967.6829194606,443946.5647000201,399042.0501891532,453466.0308248795,714324.0399831391,720718.9786427659,362640.2190139818,719747.3034950438,380253.7898011001,414058.2422767187,929743.5805469888,364269.5075179241,858925.4312035694,445348.9297772904,767512.309399762,368403.9763554656,737381.9900744732,539394.9451823279,464018.7970806813,373714.653556163,830844.3451628044,591987.7615357614,877831.3382303759,403779.9946899915,508698.2466014794,715408.7672007484,645834.4846059084,485970.0767799814,444519.5375402469,382648.3959863983,2081554.11850431,2072522.428456096,2029834.298257815,2474548.192288116,2702621.017100879,1904863.543195436,2289918.010561855,2070317.898709323,2031058.929061973,2062551.583032913,2088647.289475824,2391509.460141214,2148850.972031177]
["Com_3377_pos","N-α-L-Acetyl-arginine","--","C8 H16 N4 O3",216.12218,1.402,217.12941,"--","--","HMDB0004620","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",2524644.011543097,3955517.956370651,2336083.556587672,3133478.49938095,2707863.724035904,2553995.717349177,2157848.439882512,2182151.908518017,2573431.535954716,1874464.22410225,2470976.132101521,4663000.160720183,2126861.638295946,4961321.929602474,2204574.91028693,2594003.087003519,3951169.900614053,2642874.04291203,2902460.313852162,1920335.918682392,3494346.497524354,4902424.933975965,3788059.508148186,2253982.915888406,2523588.740856987,2410793.250038214,2583632.775442974,3104608.772717974,3592538.416527837,2999253.133919864,5802813.266557499,4106681.391201942,9760566.116831211,6834446.357241284,3715906.249075661,2576899.054168028,4223038.595600905,2860900.622984233,4410566.62300966,2227960.085616115,4979783.533223362,5716455.125905933,7170753.562938746,3107459.585234332,2934019.580269577,2903326.966286909,11033305.9296482,3751895.680650463,6993683.610940591,3119978.721180836,3531656.791917427,3236146.482850355,4867317.051235109,9469449.280135082,3473790.702822218,5356241.716528054,3172910.208697214,9056780.224427816,6387625.00126321,8190606.459550775,7853549.822255742,8123966.323767086,8066059.545057284,8261739.542765397,7439040.098957034,8214485.800597559,7109464.28262522,8329153.921551066,7212684.118864902,9945787.26359788,9714653.002098167]
["Com_4016_pos","2-Amino-1,3,4-octadecanetriol","--","C18 H39 N O3",317.29251,6.839,318.29977,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","1,3-aminoalcohols",132409.8940707053,92954.76963013798,130505.7439003329,106301.9498220271,125316.6237559399,120289.1995958543,79791.02742508826,193223.8499493402,136490.2500378713,120375.6191547725,111560.9066840972,93946.34182718224,106305.290297114,151302.0748349124,102149.4109507818,174400.8877753743,104337.9257131796,94533.9495896696,134048.2773319162,158419.6743551781,147054.8164967674,138443.0291619659,254041.8407323556,103264.6163251738,145470.0677510944,167712.361608521,95953.87329097136,116479.1963757513,159796.1209749428,127057.7948101193,119935.735751264,139035.2425198386,148534.437853662,131161.0678801688,89110.69142164451,114262.3599831493,146506.4927535369,136041.5868388744,206337.9140141134,221483.9658314645,119986.3916536306,109810.096013876,109891.8783482274,113410.3621437828,109772.9385794433,140192.9810262468,126158.8704810319,127649.1822634665,105987.4631576955,141462.9581663174,129104.74154881,113067.3823232809,132727.621037912,124919.5465386212,141144.8733145833,132834.7484071334,128239.1336031547,127751.6923320422,11071528.1619469,9971920.447375389,8480236.5189693,11204887.10754302,11784262.40734129,8201694.185697039,8789170.648073748,10802826.62311263,9671343.33189723,8601309.948433386,12368097.17707897,8491573.882582845,10388873.53799354]
["Com_4207_pos","(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid","--","C11 H12 O4",208.07364,5.409,209.08083,"--","--","HMDB0034315","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","Full match","Full match","Full match",{"$nulls":4},3868693.319317161,3872673.223059012,2861594.234463031,3784750.129183636,2879575.823768372,2910990.502162003,3200291.35022966,2732451.528208073,3094805.05687889,3611018.415640917,2653404.989639205,4208040.791205227,2724305.843796122,3076446.74108847,3279102.901212591,3041907.549132618,4276447.859452271,2712150.065510608,2583352.300133867,3950585.647257228,3237142.682685846,4036103.196651141,3746683.596939057,3669683.572763327,3579068.623971028,3961833.201133258,3754549.982666081,3392502.915954621,2692933.742953945,2795532.039074535,4044889.414641406,3647064.445201796,4459556.507700189,4069914.793939529,4085376.220363016,4076267.10944435,3100911.895496149,3523502.775115079,3637715.774618899,3194857.842199186,2928022.039144144,4600708.417428525,5320613.001644719,3649798.145727325,4150834.185490788,3511843.264464334,4056992.028243874,3723897.195224097,3469939.780392346,3938443.634410352,4570988.32378728,4118104.928923339,4110057.452368512,3436887.924166419,3956260.43129368,3401019.835716236,4612769.257780255,3715246.880593003,6672218.31193488,6673264.324586881,6632372.125071922,5390573.29566922,6454085.467498354,6654519.725651207,6027839.965380987,6012823.127016534,6933256.702555043,6793748.593136131,7975850.473484444,6343800.652328814,6567769.969126117]
["Com_4297_pos","Isophorone","Isophorone; 1,1,3-Trimethyl-3-cyclohexene-5-one","C9 H14 O",138.10439,5.871,139.11168,"cpd:C14743","--","HMDB0031195","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Cyclohexenones",10823678.67574248,7723833.365998379,7435566.418554963,8320479.191951896,6350642.201428459,6659603.283709202,7026795.045289513,5570532.527215843,5660445.867040086,7590201.126942812,7321850.76597426,7700708.055590479,6197900.041457973,7011000.361904941,5511567.992387935,6809213.523928988,6721266.766760265,7553082.970381335,5698852.715861533,8473687.64156201,7844789.839099245,8148719.624438298,8835723.938658,8651401.989424996,6146969.36964943,5944098.726102347,7018668.580469292,6978853.423990344,8500758.628109006,7778547.656643591,10604589.75491525,10736632.50674671,8187767.080525935,7769925.341778325,8387506.815195532,8953541.156945676,7780971.398239096,7086512.497862202,8134426.405628796,7239287.783553092,8295094.030232462,7513700.637395483,10135720.01677332,7575441.346288797,9466580.715691682,7045063.395262343,11966862.35293785,7800485.595553932,10967183.66871178,7933406.927858554,11059792.68415386,8969902.929745274,12630060.18011047,8323732.993189047,11068180.25187029,7338939.331025884,6868264.953117145,6289726.392646475,9073131.75834176,8908089.641391652,6698030.553887783,4102593.799322415,8227339.329985208,7337793.718713967,8120761.913367124,8742180.398409875,9330007.141234636,8130287.184861022,10780128.02301747,7516294.935992385,10166360.2295988]
["Com_4512_pos","Prostaglandin B1","Prostaglandin B1; PGB1","C20 H32 O4",336.2295,6.494,337.23679,"cpd:C00959","--","HMDB0002982","LMFA03010131","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",3404073.06679881,2952317.764850379,3010579.698849658,4488580.23198776,2885091.964530217,1803534.425480291,1844214.402199327,1535102.029281394,2123562.706501227,1339437.238971399,2091246.65937611,5439362.689117248,2262205.109937461,6243553.345484586,5045389.266970751,1959082.913425286,2871493.776519018,9454826.939123482,2305730.21798404,1952402.48535719,5655513.533906071,1492957.763178831,14722076.07776913,3740750.56239935,1634201.840968003,6519810.471499295,1825932.449722989,1967981.539927589,2051172.618362959,3127658.802457917,12149707.63780689,7044815.532039306,13108500.49005327,11597787.60397834,8781410.807886127,19541394.3938726,8276395.55890298,3290654.245779936,3794226.887938892,8380403.969720037,3382652.719427528,9149695.488901326,8288440.991946273,2624404.368225752,5394193.933673727,6538020.620532397,5050407.327883218,6024402.914812308,6481292.160987522,7577728.834854557,10894806.60785272,6693451.102475425,10862371.89593428,4297079.874970845,11050701.2667748,4170213.081431336,14924442.96815845,2807230.369344986,14846278.5955234,9477316.55065223,15641915.61236458,8654993.638909603,14853876.58387664,11627753.43629462,9227031.96630705,9887527.551469969,11090127.39888768,13957535.0366955,15792054.06298551,11168329.94233642,12818897.63499834]
["Com_4811_pos","Dehydroepiandrosterone (DHEA)","--","C19 H28 O2",288.20773,5.97,289.21533,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",2909087.383735738,2339668.912124197,2087485.741884576,2686487.981943587,3168120.472047401,1914016.427593232,2324422.011659364,3578534.803734951,2185860.978050611,1811411.027386026,2208359.095364431,1873005.127769783,1928709.773509121,2108892.381471638,2616367.961803171,2548063.909848969,2565478.944283499,1983777.15980135,2344667.022114,2607695.126182179,2187002.926237377,3000418.285841726,3033516.184997062,2857259.323487845,2467746.778533099,1829432.116101679,2206458.888026529,2601346.590374387,2006174.924558845,2721989.426969317,2281472.316815075,3803255.402438701,2423528.949406157,2018878.169008183,2299538.118892302,3244263.57173109,2143572.470282353,2670394.982604673,2272006.414534607,2976148.853784697,2389099.309167498,2428158.476557449,2728169.425215222,2197204.430977379,2665987.637651311,2157461.426420358,4570764.306540028,2554993.996463364,2452388.20278243,3329956.728537559,4615724.658677809,2798280.213279857,4872732.551091788,3092981.64327097,3959474.113882746,2844339.387507553,2673813.306326654,2701972.167611784,6357979.65315556,5196970.420541366,3508683.412944145,5864072.963820994,6129384.724174503,5722735.584791231,6324077.368358272,5274444.24758516,7569995.539674972,6739968.085136036,6669537.005620533,5741068.797453929,8496270.752828885]
["Com_5550_pos","(-)-Caryophyllene oxide","--","C15 H24 O",220.18258,6.986,221.18994,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",234974.8724447453,247124.8948195559,224395.3458396528,235834.617533975,247430.5138082864,266604.7387275522,189867.9739911421,207025.9969317784,259120.2083642802,266615.6119057223,234434.4704029143,225921.3520894633,229536.7207148661,238019.2207348341,213207.1969238601,172501.8792992246,238165.1827190976,215168.3916718005,259673.5153759703,227959.9767667307,206598.7631903158,224384.4702280925,232702.6500222123,258737.7692908476,232858.4366625652,219998.4812287732,204400.9786557046,234299.5537684734,173210.3565583211,193442.2258449026,251847.57495272,664367.6714388275,284104.5819011426,296242.6940347537,199080.232789937,292630.707538571,251602.2436355691,241463.5965961686,259720.2756698183,206805.2098222512,389482.9031479708,212076.7819889705,245775.3591194292,291551.4802291505,218630.9965537346,214608.717142539,214436.5106258887,207396.4508731652,244235.2580270914,193932.4407143743,341195.8678149893,247532.7383785712,212632.0873900732,282609.6681404985,244453.8555734259,231002.2665268034,203860.9796314934,281791.7127588717,1612348.44798965,1954625.105101877,1665525.401228143,1862834.348328642,1459810.629704399,2816068.8705686,1771545.910308837,1707647.125676111,1941103.609118638,2383036.365372693,2299127.898791698,1832157.036065412,3014840.8738153]
["Com_6566_pos","2'-O-Methyladenosine","--","C11 H15 N5 O4",281.11218,4.843,282.11942,"--","--","HMDB0004326","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","-","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",21969295.84450621,20420498.24406857,13163212.55787445,17555615.81092687,11459827.65685334,8773127.434089644,10707047.468112,8615602.995599441,13308617.21569957,2934781.555298206,6204785.299188186,12672249.66913365,3942566.708456867,11028700.18238077,12295934.32859238,21479872.05250393,19039768.24341547,5151634.477247311,15067156.36387817,18336680.89162123,4859095.345349684,31724477.00997143,15882419.79404009,13658699.87289454,19528523.50783756,8753965.287284475,14722096.4707819,22860873.11511743,6629681.752791405,14790789.29554459,11532842.76371643,18019014.63507808,16731978.25824729,9191407.113481984,11831717.08920005,7098172.186045684,8874423.760719372,12559774.02152549,7524930.730969308,8925466.555782082,6767366.527383222,8440460.409129929,12671737.21906205,13806694.05373286,16610335.13925884,10556640.39233257,18561964.71313958,12639320.58948274,8784073.747605955,19472141.76962842,17429305.47371482,9518151.831171462,9951027.368842712,6754012.927339527,4544622.609609653,13188343.25600914,6683643.809266867,14610095.04340043,4281948.74492925,3746881.814967906,3617965.67584727,4138239.172442575,3652501.243093353,3950986.665273481,4957404.894996357,4156544.412235984,4557252.122596146,3896042.795534502,4217875.865093509,4091885.507226589,4911474.379543696]
["Com_6870_pos","DL-2-(acetylamino)-3-phenylpropanoic acid","--","C11 H13 N O3",207.08951,5.639,208.0968,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match",{"$nulls":4},3284383.846246436,5500587.646750901,2690473.585613158,2267813.517621502,4195658.083539157,6307555.706521158,4333847.512704637,5322242.843872753,2598619.795392788,8622950.178236164,4530189.58389724,6901435.152211665,2916226.941792742,3448997.403157599,4197624.008371436,2277969.264768908,1126655.194506331,5963387.136747518,3072579.386829199,3279200.895672475,5286169.441505492,1339263.561554148,1697961.862361623,3820366.937273738,1460092.708474304,5004283.388333443,7179452.7639573,2068611.974208248,5342961.997822659,1492458.908546377,4875721.667571191,2752879.410862161,4288900.744175591,6178590.583714192,2654411.790576869,4289603.372899553,2501566.814195998,6478799.422796347,4165500.253508936,8368975.448623007,4419693.324928739,2217269.65518926,4429796.009599645,3568162.21013815,1114964.768697367,1290109.243214329,2477196.489926095,1618241.692415424,5447538.878014611,2079206.330678988,2889041.973998015,3848018.831971918,2993243.258547201,1792874.96499352,2409249.331019304,4291980.224218483,2436281.447238469,1361088.889182094,7851860.88543672,7292218.468635878,6507043.998606124,7457665.041935469,6932273.605885978,6553826.183666375,6063817.566157836,5852564.481252649,7873716.070261834,6219571.768562453,7199900.793855197,8909790.08744202,7678872.279085649]
["Com_7069_pos","5'-S-Methyl-5'-thioadenosine","--","C11 H15 N5 O3 S",297.08973,5.103,298.09717,"--","--","HMDB0001173","--","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","5'-deoxy-5'-thionucleosides",1388118.45633373,1912714.194408728,2302256.591959954,1824180.816840778,1294398.73286708,937760.1670700144,730721.7508197554,1247851.355919217,1920051.237674352,3185202.791954939,6397599.542927978,1632653.570258596,1806605.646019204,1385624.988205174,1427507.891506898,3326072.740188457,2865867.584501329,907557.8062855008,2382580.011205294,2531541.510582156,1385426.356842906,5947971.496173472,4911119.3644845,1427857.077725221,3686788.676247036,1555812.272335282,3227442.164062195,3688802.555213644,3272725.795411792,2530386.029457045,2544092.955348277,2434239.48685745,2184016.467622619,3268523.592628936,3075472.898376636,2591977.638145586,2143535.641116282,2061909.941486741,1676147.096337174,4730355.528383582,1164021.291955009,2457452.099453309,2067470.947763126,2125831.00315364,4863390.604967414,1141493.88475852,3361739.496738087,4911640.436749076,2005684.90092544,2559386.955718428,1923566.366724826,1259988.570640497,3528100.935315645,3903798.089249691,1782166.773908816,3867209.080596598,1121702.487614061,3940821.552642655,2422128.03838787,2321357.46828989,2055414.71529259,3384831.19188134,2399970.245006937,2620732.403223148,2852295.77858771,2532404.614978081,2791687.67630887,2861566.933117122,2590449.230267947,2974142.31065944,2899264.074570361]
["Com_9480_pos","Cytidine 5'-diphosphocholine","CDP-choline; Cytidine 5'-diphosphocholine; Citicoline","C14 H26 N4 O11 P2",488.10669,1.353,489.11395,"cpd:C00307","map00564  Glycerophospholipid metabolism;map01100  Metabolic pathways;map05231  Choline metabolism in cancer","HMDB0001413","--","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside diphosphates",3707989.551564939,2254872.251104813,4370811.713264917,3249707.224693121,3885557.436552377,1331552.429868775,6523772.338699879,9669920.715218969,1679259.783311566,12666076.34163732,8232627.504499172,3079690.067711598,15883960.59088815,2000344.789800904,948983.5079216585,1745051.934918199,5094080.33472495,7694084.152312254,2614054.414196106,1614762.899308764,4213361.952773492,1540626.311912333,3964798.104476753,1358274.599704804,1857897.576164684,4439164.128234708,4708731.113583056,5605420.496720825,4133953.678593562,1837554.753005466,3041717.338954214,3182673.988046596,2946413.551045987,3042041.64049402,1312058.266531081,5619798.806099005,4475577.465578944,1802635.147952813,5754845.820205556,2537565.826848338,18651863.61678362,4376425.484564786,5848902.847263138,8879540.565145759,17627176.38687433,4758982.088735295,5178664.676532104,5871250.616126776,6339508.941689006,2559808.319950896,4776611.270560544,3798833.772769124,4315133.05097563,12923163.2206597,10952998.27672337,2685185.681691644,5336333.602349086,9736192.301364295,2998084.86771188,3524032.296337365,2882693.771113104,4451671.268336933,2969333.782295205,2351613.158402303,1373181.277699009,4464088.617214107,2632656.035890157,3840630.92155231,2245281.482453289,2453852.786480079,3374920.856081589]
["Com_10452_pos","1-Phenyl-3-methyl-5-pyrazolone","--","C10 H10 N2 O",174.07935,4.932,175.08662,"--","--","HMDB0251697","--","Organoheterocyclic compounds","Azolines","Pyrazolines","--","--","--","Full match","Full match","No results",{"$nulls":4},1037694.189588033,771837.0816659833,754499.881476967,825567.9186781748,764173.4360858804,840458.2134056072,736216.1405487797,900104.5669354621,908773.0136194318,1030148.791181744,802825.2538463689,823300.9011123211,782313.5734423428,794175.286252407,878506.8882140435,840660.0484987223,1278477.952800791,881543.7135231593,844161.703597172,950782.2572079268,704431.5597103226,870686.0895463027,944778.3962381718,703231.6662722548,767975.1282873995,788268.6443377421,831501.1736547076,844030.0215310603,650670.6137481102,781368.8878510066,640978.2380160133,797075.7582556091,779795.3178020156,1217500.925239307,779040.4191767246,734977.5646328547,676172.8307736877,741298.2540873453,1098770.048989101,1058552.276952448,828079.1601426452,961396.6607640968,893357.9606169555,671266.7356325899,574784.4042273273,739533.3949483236,686477.4243195284,632961.1413954265,702749.5473176801,1030336.453379598,672720.6647943703,691362.7428353836,1165599.880821287,572628.6388397854,1994150.389102717,851935.1653983237,724730.0026865363,909011.9081572024,1767041.9260721,1986741.450331163,2031224.044416885,2579907.959915827,2242158.451400038,1955049.169406624,2244038.556373988,1751549.269591791,2200387.930037694,2119544.916112744,2016329.137600732,2023689.864507675,2064420.360415448]
["Com_11093_pos","Monobutyl phthalate","--","C12 H14 O4",222.08893,6.265,223.09625,"--","--","HMDB0013247","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","Full match","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Benzoic acid esters",2292081.456777635,1622121.991149131,1748230.693552101,957909.005513284,1713029.123271544,1199510.528847448,1921196.800271509,2421924.597562764,1485145.506268318,1883717.412659912,2304940.14695375,1929455.341220967,1948843.737558692,1177656.089380006,1511697.445026871,1820326.776023168,2266245.204676058,2018021.315455194,1574179.086509536,1300281.727458218,4535425.223489199,1955782.273512065,2262554.969218994,1976650.252556267,1787080.781289653,1882370.210373635,1817459.794209007,1717725.404905538,1442015.434138997,2045223.52016358,2243232.257262286,2482840.451501345,2261198.490519878,3254436.771025548,3384007.821566525,2643603.61837441,2164015.490852667,2264557.049696446,2089142.02985281,2423574.276637231,1630755.369627476,2230672.805556389,2136243.603103678,2729166.057441157,2014252.983617204,4195469.264133807,2448833.269785075,2272590.79172947,2530108.12184005,1846415.750160004,2216026.263797213,1817274.356285656,2784702.87062795,2392472.216057916,3558913.82521612,2557176.476372443,2684139.675830406,2867430.692670681,2288391.78277738,1861704.215595009,1525013.046204099,1001726.235191267,1474664.416235092,1403383.195691203,1905909.809288946,2508496.554362644,2563603.579257182,1781105.176554475,2385180.820336484,1902364.416181456,1838611.395375967]
["Com_13065_pos","11β-Hydroxyandrosterone","3alpha,11beta-Dihydroxy-5alpha-androstane-17-one; 11beta-Hydroxyandrosterone","C19 H30 O3",306.21908,5.961,307.22617,"cpd:C14606","--","HMDB0002984","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","--","--","--","Full match","Full match","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",616027.829074124,539425.7776850766,479818.2912073181,568492.2017629617,730430.6351117869,439757.7801477797,535910.5063157359,825054.3098105555,437585.482586004,960841.3293544032,1083784.312408824,413693.4390237223,444676.4942307098,486218.7581475576,603220.5305598718,601892.0355098115,602980.125004015,896636.9135280125,511144.5295827899,601220.9522967497,504227.6486949837,751738.7750469301,699396.7474340856,1209238.561831324,523675.3724847581,415588.3680201662,508713.346335509,600944.7092188325,447925.9107552245,546415.8852905453,526008.176792673,664522.2454464707,577501.4339179014,465465.4001364327,502456.2652152224,576055.5716121594,602638.2014454192,1163552.178028052,508762.2422744101,461322.8405699563,526326.5683072816,559827.6182463906,537275.4376404551,489692.084919239,535475.0120893444,430859.0552794418,723710.6926431439,589070.3664868777,565748.5828871864,579341.8040116897,893318.1376030501,553356.8171025461,1123439.958621186,744559.0163250279,714605.3758499486,623454.3359594058,616464.9257319358,533978.342015653,1126568.40157648,984015.2535270158,650276.0488818345,1366485.463982549,1413996.628074677,1083521.797202105,1030437.419323582,1256900.781646657,1607510.132150126,1513213.336450997,1161961.240280622,1109360.660979514,1756521.818432669]
["Com_2_pos","L-Phenylalanine","L-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid","C9 H11 N O2",165.07888,4.861,166.08618,"cpd:C00079","map00360  Phenylalanine metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids;map02010  ABC transporters;map04974  Protein digestion and absorption;map04978  Mineral absorption","HMDB0000159","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",11462250538.15806,11722791255.93266,11160914028.79613,13556050215.82766,11953549089.86683,11751750733.44913,13200209945.56226,12959056953.85022,12161976074.26865,13322644586.96519,11726226157.88439,14063653966.1983,12372644357.07696,12959788013.14769,13421754295.49728,9882253538.812077,9189738089.66844,10763711273.34152,12924378053.00189,12285862330.39324,11483396123.23068,9369929712.462135,7800423630.99507,12020267063.18889,10889794288.43963,11752194761.11218,12597926774.20271,9535836534.33006,11106957709.31193,9397661599.190475,7921553245.597478,8841206301.272285,8785899203.174139,8226179730.162071,11687298888.03507,7032435212.473951,9632169710.200434,10100685405.58678,7799177073.923285,11686560753.13082,11272523348.08898,8463588444.267402,11345624071.60111,11122886324.86025,7230012469.335447,8967331256.93003,9153964620.466738,7816212291.729299,9534738262.712936,8641886063.57727,7562122437.648546,8943734465.18562,7508612930.248292,6949576783.590542,8548280389.486079,8942594964.419884,10240938693.32902,8979139675.530045,12370896513.3234,12353199552.39904,12170385682.6919,12722171680.80216,12281481610.15471,12559395475.1531,12084841893.55801,12010437454.61371,12642095477.50102,12576932267.91624,12584795533.74247,12011989958.99128,12236577610.01642]
["Com_14_pos","L-Tyrosine","L-Tyrosine; (S)-3-(p-Hydroxyphenyl)alanine; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; Tyrosine","C9 H11 N O3",181.07372,2.352,182.08099,"cpd:C00082","map00130  Ubiquinone and other terpenoid-quinone biosynthesis;map00350  Tyrosine metabolism;map00360  Phenylalanine metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00730  Thiamine metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways","HMDB0000158","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",6755291008.311845,4454404084.254563,5637848111.819222,4858054874.769494,7363226747.587953,6650709608.798508,4360914943.7513,4354232844.273091,7620006434.482608,4631534148.494244,6962037302.603821,7932979549.058463,4916237163.868073,9285106271.768553,7243789646.007729,5824577544.308947,6321177539.804402,6846710255.670061,8498473804.201283,6573584302.531147,5038605015.79515,5247876025.430069,4084809958.396969,8559907790.914953,6290673878.919123,7963302029.301538,6540809247.265676,4793502869.681361,4725144111.395394,3945344599.185473,5890176801.879003,5465369609.081754,7301454953.442215,3697644258.560281,5128075819.204486,5941501377.034618,7067497257.166451,6006474975.90309,5531291789.375438,5379243387.830712,6096887559.955177,3932122487.382108,4087115894.814685,3491590152.931604,3623138608.742416,5388373137.138319,4878405055.473359,3735697176.879889,5285832234.845387,6033086957.543983,4411425776.432417,10867490507.1813,3952453759.473208,3049715160.667176,3606640055.432402,4338077213.56691,5379515363.837588,3576959751.726887,6828579811.84671,4858442273.874458,6522196943.325933,4694533446.853708,5051331094.506607,6717097131.655962,6022222103.233105,6239773590.452738,4924869298.292888,5760478846.922202,5562951790.294575,4975210424.905216,6504342660.430357]
["Com_39_pos","L-Glutamic acid","L-Glutamate; L-Glutamic acid; L-Glutaminic acid; Glutamate","C5 H9 N O4",147.05303,1.331,148.06033,"cpd:C00025","map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00330  Arginine and proline metabolism;map00340  Histidine metabolism;map00430  Taurine and hypotaurine metabolism;map00480  Glutathione metabolism;map00524  Neomycin, kanamycin and gentamicin biosynthesis;map00630  Glyoxylate and dicarboxylate metabolism;map00650  Butanoate metabolism;map00860  Porphyrin and chlorophyll metabolism;map00910  Nitrogen metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways","HMDB0000148","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",6480960118.849048,5615499554.492952,5731629034.682903,4981095870.657398,4795706912.146128,5176576059.654826,4760399231.015342,7445550058.591005,6291534188.786124,4306971771.669375,5144910899.21802,5140769838.640079,4830919138.967074,5821359439.438736,5953541351.730457,5354516185.849281,3051333028.418809,5041239523.579503,6441596515.343045,5603209708.031685,4766173876.602352,3809700366.342547,4190465146.872624,5086611544.063036,6976873934.89419,4915854071.408613,5419270125.977671,4400638366.540326,4793271008.007834,6030403819.813577,3952692635.338017,3856095308.650334,3649864797.595091,4290101113.030823,4250450739.708148,2920760101.031281,3432290781.902221,3712154308.720495,3666506323.484648,3867596858.66353,4186342968.550387,3171701404.440276,3808058456.847139,5935842199.848664,4043790375.635897,3812887033.604893,4406805831.817935,3709058849.897449,3202597402.95992,3309138931.214513,3636908614.5736,3607098649.70331,3997979772.01349,3356355318.181587,3570094646.312401,4123310870.66965,3743932851.693458,3543557242.887492,4279467580.40347,4379990475.735158,4342194114.626904,4501710699.166249,4643434150.379318,4508337842.595858,4449995705.220885,4461198848.741918,4591510393.292656,4486976587.295218,4784983375.018082,4487752109.012996,4499212473.742504]
["Com_193_pos","Uracil","Uracil","C4 H4 N2 O2",112.02721,1.775,113.03451,"cpd:C00106","map00240  Pyrimidine metabolism;map00410  beta-Alanine metabolism;map00770  Pantothenate and CoA biosynthesis;map01100  Metabolic pathways","HMDB0000300","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",411834090.2950347,700950871.5129658,691490964.1198903,700521848.6034201,561041180.604287,572560101.63769,602717225.0429282,551678599.2704797,627979662.3765683,634360116.6556526,494183848.0606278,597542774.8084196,308817547.5329997,369630072.3276457,701770754.5521512,745695796.3920882,654367706.2572023,317514474.5405783,481098503.1555925,566706681.4901505,509476930.8004041,487023843.069556,698043605.9192808,325491050.9209539,576570120.2530396,526156592.8093985,624824057.3104511,565808353.5778403,427480532.7387074,989286950.0656092,705193476.6611903,673805918.8619674,532781841.3090497,425265146.5680375,853066275.865145,394280436.8268852,424788100.9200722,394671159.4533711,715093730.5910277,326402791.3584427,460634831.2948864,402310032.2745651,485709058.6245041,515629232.1108985,715248929.8491055,696098648.1740842,466981727.3082059,957297909.3951564,605220131.6741619,483929309.5251997,627114759.543495,609487770.4202566,618505344.3492736,1072973782.848399,1800686990.662869,740879462.7077699,548765541.7591374,719155180.7383467,817459494.947244,914735197.9419252,652634683.388878,933388988.4809768,867841417.3199174,1324820549.994393,633212032.8621815,1150948565.972602,831073177.2324824,929870882.2854148,918171758.7555912,730991743.8342191,731549952.0198845]
["Com_329_pos","Xanthurenic acid","Xanthurenic acid; Xanthurenate","C10 H7 N O4",205.03767,5.384,206.04506,"cpd:C02470","map00380  Tryptophan metabolism","HMDB0000881","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",3732325.86508011,4439110.007675896,2903017.878520548,4226473.000054169,2936184.848668148,3438341.098949526,3709521.308271826,3003884.536556472,2858902.657387398,4102807.413949932,2728771.346936118,4151401.266864712,3152072.865031568,2947426.823049936,3666636.205299598,2937504.733721739,3903428.300597969,3299406.228761335,2881366.727084524,4537267.058460194,3097103.87013208,4454928.70447685,3814219.908181838,3684167.287211408,3507948.157631769,3898344.397213968,3631795.376935359,3181373.831890795,2582532.447363348,2758987.141721728,4525103.266690479,3481204.815069,4215206.417926904,3870837.452189006,4442690.482210748,6834520.15304835,4184360.492338608,3152078.733633237,3458431.896230373,4579073.479922791,2874930.315498561,4351908.505485784,5360534.223249246,4180234.484988077,3929472.710413709,4180497.538190434,4816301.047623055,4847609.792925889,3709207.757783933,4414040.756869494,4444434.438501027,3918007.504154932,5632474.812397998,3452892.466566048,4322629.906125532,3776037.052093263,4449997.319848708,3397179.095501019,29562065.7426912,31474363.49397862,21917764.33737822,29447656.4619274,28614381.41862652,29924239.85256043,26116000.05987575,28012093.64645653,29717420.77464638,29081435.74981006,30915686.70931984,27425183.4612504,32882138.53660485]
["Com_440_pos","N-Acetylneuraminic acid","N-Acetylneuraminate; N-Acetylneuraminic acid; 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid; Neu5Ac","C11 H19 N O9",309.10574,1.456,310.11307,"cpd:C00270","map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways","HMDB0000230","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","N-acylneuraminic acids",266272937.60126,286843754.5913641,237345491.6189332,273398770.5232437,136020696.4858822,182248455.0562861,279582661.4116951,192921039.5379681,222755698.8960524,254497294.7752541,276669822.0031913,212276248.2062025,235842820.4912513,186014116.5517136,160691119.3977804,249175637.1438394,269385629.8596601,330488901.9705788,210673485.9946169,245189643.9278834,182940418.9637343,283171017.0832102,198961121.7372137,241966710.2487448,192488458.7011449,239014430.0886299,204512546.2503952,325119999.9196563,203772624.1527624,245769820.3367731,324317251.8859761,259592424.1504996,351581983.2634865,432876987.112744,249040360.922334,525084233.8303565,298668560.859449,275670256.2119618,296882458.6110286,233182776.2085001,197943660.847944,318997771.2293419,326381856.7349812,251208052.818395,475350174.0984181,261030692.0789855,271429155.1082407,450852618.6304798,218829868.5270917,373012451.3518927,299734017.3195246,215930965.7264844,332601018.5296765,215539296.4793919,220414584.3614504,420936500.1081225,261095769.9437214,258274785.6125428,282342272.622642,274188290.323137,265893865.778583,336330651.8990688,275618357.3732044,282279662.5897066,268607456.6769896,274612491.3684132,262026913.4406026,232986436.6547252,321808843.990212,265420173.949118,313919505.5379785]
["Com_499_pos","Purine","Purine; Purine base","C5 H4 N4",120.04364,2.47,121.05093,"cpd:C15587","--","HMDB0001366","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Purines and purine derivatives",17536467.85655482,23862394.96565064,12767188.99957589,13176285.13010675,20347795.33968483,26983331.22706673,14624170.27680084,21832974.92164513,17461020.35728922,11131762.03120729,14397815.75597343,22736242.96144292,8312607.444676822,29899371.29348838,30446202.15021887,20465575.19904175,24186523.25617848,24990728.89880891,14577147.14561245,22962912.66419302,22396347.75599452,16427458.32370442,12433420.33945218,26268567.05565105,10420944.7841048,18792705.14707001,16851628.59125393,6128539.11307481,11752626.03413722,32397591.66988542,27554951.56321501,27147392.82265567,30845305.99594643,20625097.60353656,40317924.77946752,26419698.67770192,33535158.46705573,23710728.01294304,12805805.62430964,36717168.80467147,12233390.97667634,14490026.2049947,15216296.90006542,17588188.37861496,9280741.580133634,7887422.059581542,15690550.85079268,9085263.664740834,15074230.07627407,4342688.498509516,11171057.53235855,18230841.42823816,13730945.27739819,11362769.91257739,18841179.91098892,19312529.12421921,10161091.11811819,12838727.94707964,26594536.9302149,28096365.33337967,27991195.31496768,27754428.24011319,29105273.00485933,29303617.79818096,27816667.00625345,25732630.70447719,24399275.65273653,25675881.33906533,29008997.35383482,29543977.80880634,30468068.28487668]
["Com_947_pos","Adenosine 5'-monophosphate","AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate","C10 H14 N5 O7 P",347.06277,1.759,348.07007,"cpd:C00020","map00230  Purine metabolism;map01100  Metabolic pathways;map01523  Antifolate resistance;map04022  cGMP-PKG signaling pathway;map04024  cAMP signaling pathway;map04068  FoxO signaling pathway;map04150  mTOR signaling pathway;map04151  PI3K-Akt signaling pathway;map04152  AMPK signaling pathway;map04211  Longevity regulating pathway;map04740  Olfactory transduction;map04742  Taste transduction;map04923  Regulation of lipolysis in adipocytes;map04924  Renin secretion","HMDB0000045","--","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside monophosphates",125977302.5287751,183400925.6179544,134359034.143719,155125510.3196298,72760040.7891208,102899381.6830088,204355138.967206,97258974.54430196,119218769.3795598,142533199.992098,158324259.6156596,36783326.48836907,168134625.1600155,44153353.78223567,32610356.63589515,120747249.8838614,175530116.1546424,146187905.2129393,161495480.5692464,119707263.4033702,86731844.36473888,185656593.5108635,32189937.5036066,88863634.39199239,175087351.247529,115412340.4738223,179644117.5200509,282565872.7464173,108699653.62843,178983983.1017357,88207621.17544591,65192464.87574784,61319420.21980444,83043366.50466673,22317718.10537834,31377449.08080329,25051593.31436529,135432334.1098247,134522041.2213038,64202954.72598416,111825267.7417861,80674378.40044962,113662702.5936827,181330436.7180453,220302630.2824953,48778401.26715279,121609991.4920031,134351901.1029762,37356684.26868799,35638684.82834177,20593920.40551626,31898953.57569777,72189343.10569888,21696140.05641937,14270728.28720403,155148896.988717,33381072.05150652,120341372.0720124,13529692.6726691,126460842.9339298,125815438.640426,123634388.6615992,119439008.9334881,126027285.4605053,108045486.0011032,97366729.94728065,96260853.36381157,93754761.42089172,96537986.04220118,89088802.34121405,88819271.5750341]
["Com_1278_pos","Isoferulic acid","Isoferulic acid","C10 H10 O4",194.05797,5.528,195.06534,"cpd:C10470","--","HMDB0000955","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","Full match","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",5552301.792076898,5675298.661893061,4728162.069734871,4124779.699150244,4480365.829357837,3309985.524479846,3101859.714205401,3283338.035127116,4241944.858461089,3493469.221822747,3818342.66128789,3588685.379364192,2977546.884988458,3511937.814347681,3293076.488917073,5505186.119138544,4981211.607838511,4573669.849489924,3416462.719094109,3727211.629715185,4734748.26319126,4774898.49133894,5461703.942930999,4988462.824877068,4380826.508431999,4460432.977124662,4460652.30238103,5116973.397313025,4012522.014259894,4375029.334546592,3774659.292849075,3989027.922697589,3930807.854372425,4457742.450600006,3510608.022377691,5317136.108213312,5146127.9343634,4968736.878674845,4491145.478215366,3206414.164893191,3809913.951012998,4503113.21612036,3948187.587312156,4861313.466858069,3621622.357116218,5217871.11250746,4096180.026035438,5145220.712368236,4973810.912827713,4460144.1636607,6600968.105353872,5232346.081593316,3729962.167224564,5359839.7974989,5342463.81006987,4827636.612478241,3835227.81899156,3822510.656374383,14477028.3876095,10722715.01578471,11809374.16992956,11058989.70136673,13431862.12178258,12948498.34895204,5566400.679664924,12172693.51563844,11215207.99693213,15785047.39606456,13428958.66428539,15186240.74079567,13433929.56657367]
["Com_2972_pos","N-Acetyl-L-leucine","N-Acetyl-L-leucine","C8 H15 N O3",173.1052,2.004,174.11249,"cpd:C02710","--","HMDB0011756","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Leucine and derivatives",2532149.088579436,2281243.161898542,2254713.635660367,2194780.165200374,2186768.200089808,2176136.962020988,2425494.306711472,2095294.797714419,2216446.328055552,2443892.294439764,2093185.196966907,2132670.823429169,2265317.140611092,2213144.898298949,2193239.156980425,2255139.916036126,2123106.992156891,2095007.951026908,2093425.964432834,2405453.348829412,2255149.803793457,2345976.434973433,2130573.021834606,2092360.358062624,1956200.738557421,2049774.623612693,2139060.404591614,2338708.361069225,1985387.417681006,2194290.369313689,2593347.217756012,2257748.339936453,2793860.448709189,2705071.516364285,2395032.460944112,2378473.237576595,2197822.961771685,2350373.697351979,2473804.378583602,2505409.159715497,1974436.165072905,2412164.924549749,2126782.018717998,2206682.974938324,2249520.59574787,2423521.294196933,2227434.516833777,2340867.433003552,2308655.970410891,2219812.531985472,2314981.552408957,2228842.588744616,2186096.177153585,2452750.063914402,2499434.014517873,2111692.036725393,2264500.511046747,2048563.645656005,11992019.8452201,11631764.27704378,12523015.91552016,12416172.57316212,10881677.25187534,12576957.84736377,13485836.7765297,13167315.84215692,12542014.61328345,13750162.20699944,13682478.89890898,12189376.31750527,11673400.59951191]
["Com_3273_pos","S-Lactoylglutathione","--","C13 H21 N3 O8 S",379.10421,2.242,380.11154,"--","--","HMDB0001066","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Oligopeptides",26751437.37597155,33084017.95374436,39562940.98361889,29902130.15939595,37991082.20557483,38522910.23118973,51512515.58004855,29422940.04429812,32432807.16677869,45911952.54029071,68184596.75205965,29635393.55893287,40162415.96182736,43589880.29294246,35911745.94128264,27312067.10706349,26101135.92595909,24493829.71631656,16621656.85207006,43163757.83294492,42614337.72257514,37577634.48855134,19245539.32172835,30655811.23085235,30711167.77166991,30932504.61218604,35940445.11720909,22414312.71557459,34474928.6073335,41085722.39380099,26443948.2533266,28292175.12239699,27436553.80305666,18434553.12625089,19155337.90949264,21862223.92220606,14878699.77060609,20303804.82503006,28283482.67545418,26854378.72983832,24248184.28026075,53386389.57216203,25684218.8304724,36482635.09903944,20894221.31757532,24775605.30581482,19820269.31783596,18823602.1604809,22559174.81908837,24286878.40369806,32535746.28675461,22731304.14244759,20211679.58753054,15216231.50524146,16270397.19236616,16082254.14561074,31170070.55589287,21277815.18166459,3712689.16653332,5190828.641049686,3952426.657063332,2270065.679182708,2564330.201710825,3004695.987425149,3616930.034750809,2659390.026431569,1794309.641718351,2846873.128448093,2578885.271106405,2536567.295454977,2724096.688154743]
["Com_6847_pos","N-Acetyl-L-tyrosine","--","C11 H13 N O4",223.08457,5.186,224.09184,"--","--","HMDB0000866","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",3359559.889689147,5728123.91235519,2862131.624973916,2221750.664375347,5959506.508091135,5854977.019316993,4370537.649403585,5445457.78869115,3438431.855323138,6250059.959237209,4208644.27747057,6699796.145250313,2174478.558486709,4807959.576649324,3998955.617939222,3263915.884064008,2212221.828194961,7302537.257743207,3982528.323433249,3969184.808175224,5763245.263279609,2206369.496052214,2852033.331611346,4566663.886865915,2175374.75587574,5020818.785066024,5622875.983251717,3234041.403519462,5605935.497898323,2007947.842708586,6747827.29223498,6051592.852991259,7510566.753687786,8353563.502309986,3634366.349072387,8433200.83641333,3405355.02402135,7155838.997379793,4901083.690568002,9402876.942420606,3649049.211092556,3222117.203637863,4317566.235490677,4482426.727314815,1790847.560619835,2287594.632858315,1730205.76020392,2130687.601585023,5456428.794331612,4853743.551152609,3719505.379383707,4966065.197641891,5111732.795063298,3101563.876937189,3210298.334623273,4025009.976551694,4471546.64140314,2422015.222712402,7758485.51552364,7300700.033825785,7099980.067762358,7924612.205947632,8093674.842869684,7707708.489853642,7501524.429333473,7290052.636619921,6255832.964695114,6338177.862121472,6410783.424786665,6896001.417551943,7846316.668881317]
["Com_25_pos","2-Hydroxycinnamic acid","--","C9 H8 O3",164.04728,2.092,182.08105,"--","--","HMDB0002641","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","Full match","Not the top hit","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",2969552090.738784,3143564353.280952,2706360409.389041,3338056339.542552,2935247418.486527,3123323704.453998,3272714612.408209,3416882922.967048,3505200298.864516,3387844531.031158,3368182216.265762,4119044084.579217,3041504907.673904,4235917434.673474,3716258027.394405,2853797874.354767,3063388524.763658,3082657073.616602,3664362897.425654,3104058084.167064,3404525526.35672,2438691888.20548,1862318839.223317,3719387605.774946,2860786316.629227,3796367256.683795,3296258869.586129,2996170671.91205,3234243280.797386,2704077415.19544,2905676305.682297,2739966523.88373,3175440620.330145,2779020628.893245,3540941393.91694,3108127643.776155,2555062452.407694,2721850067.687942,2339178803.617499,3484183484.34585,3195334438.1849,2559694497.479499,2813508758.737342,2519545106.947616,1626766757.276225,2668694816.922392,2438133776.387783,2527769352.9029,3229958964.069812,2499695302.094703,2841924439.613499,3537086108.028497,2429267246.247131,2652816145.775669,1655020203.777368,2687816912.44875,2446245154.758512,2111141871.961797,3166771369.62086,3596667311.076382,3519692787.565408,3435205082.345652,2132793034.931276,3287496524.380013,3477618034.176538,3276165175.357258,2106819697.409825,2555412353.378788,2282944813.416615,1681044519.308254,3374746407.325527]
["Com_82_pos","Methylimidazoleacetic acid","Methylimidazoleacetic acid; Tele-methylimidazoleacetic acid; 1-Methyl-4-imidazoleacetic acid; 1-Methylimidazole-4-acetate; Methylimidazoleacetate","C6 H8 N2 O2",140.05852,1.397,141.0658,"cpd:C05828","map00340  Histidine metabolism","HMDB0002820","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","Full match","No results","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",256262756.2525732,442922607.0206103,277926699.5043961,299011426.9668846,290416018.7710066,307144862.9036685,407698626.4762779,242472166.7402844,303352892.9776815,132206550.3962726,210622977.6303193,215154160.0228232,191093939.3102133,147359415.501041,367280619.921977,257257220.3166278,296889244.7092189,162425811.0552592,617909665.3677783,333476008.0189096,261185651.3467913,421449089.0426867,507248788.3125859,634562935.4465127,875522711.0656991,210637986.7214825,372326769.2143978,619176499.2648233,435638267.5420333,434630400.9724441,247619365.2988809,288814015.5326692,223838311.8523693,181270190.1602425,235025731.8886612,197177389.727728,183029029.6486944,391662006.9974217,264917727.053907,250478060.5002896,202338981.0146725,242300902.4149626,249453343.6516161,282385814.7647443,327125854.5721116,247680178.187547,260883064.1161317,207341855.0422213,223338757.4621216,258689449.8630842,244425648.911018,221462207.1808362,254108662.549217,188734808.6581251,124519370.5118944,317604545.1491653,200632002.1988105,304178121.1149377,434077118.106266,459490577.7030715,452647866.6809121,513680891.5787498,473723919.3835232,535392463.0498486,472833385.1672116,423325782.6672645,373818774.2337212,416701865.6739037,425816885.9662294,411384730.1050533,403182024.5498644]
["Com_94_pos","N-(5-Aminopentyl)acetamide","--","C7 H16 N2 O",144.12616,1.402,145.13344,"--","--","HMDB0002284","--","Organic acids and derivatives","Carboxylic acids and derivatives","Carboxylic acid derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},906705.5490973962,973764.8520507828,844407.6053395764,841290.5677942613,767842.2714103225,764734.9786951472,815258.236564172,839364.8293079379,886957.0204230982,828224.2432297901,838839.3062286448,849625.6360381416,835165.8688433614,820011.2954736691,777400.7124973063,817478.5469246595,1010660.433987899,853312.4182890829,778420.9742742489,2789177.494046408,904129.2609873564,971830.6618134492,813971.6277399802,1663221.893942113,1319742.618258419,716392.5656438199,785664.3604448851,66550603.86472774,1077031.165201406,986679.6111854588,2026841.332798895,985936.2517872896,1539741.844943406,1073995.415420911,789177.7836177892,1292338.295716581,876267.3556050804,866424.0752576963,1691577.717381506,921542.4384707912,1026787.239283634,1017467.57337897,917692.4912414032,903428.9919389546,867090.3577978711,783153.4238023867,846328.4871225224,830945.3329004833,959692.545726746,925462.7422177156,1001489.303430454,934029.0435767948,790199.2944948558,889849.8846193961,929207.738309831,892592.9966714302,815345.8743978046,854752.7229553278,119225867.88265,120823001.4063688,135598788.6934478,131948477.8341187,129365601.2659171,137577823.3430053,139258425.4601404,106314630.2078055,129692848.3971424,102058711.8341213,114590134.8580781,103500845.0264679,141977717.3353138]
["Com_127_pos","ethyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate","--","C7 H10 N2 O2 S2",218.01912,1.299,219.02626,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1122487737.135903,656644545.4483075,974355146.6928774,1129856925.095193,1218554685.189481,613824970.9046285,1566061471.544336,1274896701.516216,839101738.4954549,2573324951.969428,1686510258.492342,987732840.857818,2640349757.120754,670295204.6725106,1262767413.813177,719263230.5014204,751915886.8114887,1958352883.585044,880623461.307444,455586957.8223324,1638181036.356316,621829913.7697563,805673702.6344644,426668211.6460491,836597143.1693541,1022001094.775784,1150322210.612165,389040152.7808956,1554496101.253795,1105248775.828937,683143479.1708934,454020150.3035464,541353901.1613276,472264674.9305316,682140393.2190343,485572587.847711,788639617.4281859,640125369.5335598,1043600185.315705,629554953.3807468,1227389670.342386,658565323.041641,661725229.8363582,767343318.6276927,902758785.3960564,605367781.6051607,683052831.4648612,705747760.1669674,477070092.6493751,400971229.0497027,717957736.391725,537529579.5614406,596251857.2324773,962245753.964948,598910658.2186928,511037008.9687231,2201946554.229889,750907758.7262576,594420938.275135,615316154.6968094,652378613.6994964,702551934.4802,663876681.9201509,680471524.5854529,758351462.7571193,650426914.1619139,730646789.8344208,761157999.5977532,714427160.5090495,712058612.9835894,655148757.4748659]
["Com_157_pos","PLK","--","C17 H32 N4 O4",356.24224,1.32,357.24939,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},15534794.24589439,23124320.29712276,28425005.7712725,26707858.39790633,22463513.03945216,17969447.73208722,15534969.61601545,13439480.23869221,22696872.25789203,24814728.50395001,21431615.39147998,13309552.18924022,18425495.54821482,20727961.42624309,17932645.09816962,20316129.7807216,21973666.45181241,19739178.72726961,17558877.81903835,16743591.67522296,16886637.01641968,13536908.66694453,17798204.10471591,16097971.68980827,16753325.04481753,15123661.16023525,19551773.00022479,22890675.70835046,16007356.49369507,14649250.8242305,21803302.25167444,28201369.49222377,19552776.91283121,25320956.82165265,34092282.87579656,17628254.71588735,26046002.62596501,16811810.87486329,23180558.9712398,22791490.16609919,9913891.368803762,25857739.8337721,18030688.2068285,18209295.24998498,16654502.30058101,24947678.95546474,23072587.24704725,24277585.5926297,22288852.90150457,18586217.71118851,18057521.30836772,16881287.70517704,20811479.22034667,36572618.22366536,24681976.85206501,28793807.03429588,21255895.69168811,28829366.77525013,57981180.1697497,65104739.17560878,66114804.88176662,69114364.73091483,73790186.1331033,75772134.09313256,76030926.45514195,73278236.57404895,71577771.04762283,66753866.71224549,71094731.53394583,70498892.01045081,65645354.17326827]
["Com_187_pos","5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one","--","C6 H8 O4",144.04222,1.824,145.0495,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},585869453.8747396,419743957.7840975,529069868.1674346,576026142.6472931,688564881.9325134,452642582.5005845,806206336.6158826,750501581.105045,531348584.2989474,1701254225.90297,889562736.8213388,618305485.7812008,1036371017.287573,419314756.3403133,680022042.6035894,463357784.2969192,531148151.3701528,1008662071.513059,594685589.9858736,220559344.4406547,926365325.5707936,313691886.1963659,525809630.6413981,364401598.6775589,543648605.6326663,678373153.440299,827492008.3013165,382182172.5165051,862524200.3309335,637970869.5426248,377536587.0142607,315705479.8737894,399109389.4222346,412758751.5107725,428506145.1091293,396638618.4998015,456659498.7850201,448425364.051108,666724008.395643,497926199.2927467,768276113.4356018,368773304.4367621,434155222.5549568,592482685.3751224,570026421.8989064,451287712.3201453,426622808.2429384,470298211.7080398,382642984.9514609,282948383.0643696,457710578.5832146,355613749.59815,374856681.4101149,643555547.012874,476006239.0074752,476023151.1212041,856365113.1473498,534223442.536162,330943439.367723,410619269.9206302,372775495.8536357,441604702.4990993,474864198.3095747,470773174.8309791,482554703.2478129,423897160.23852,506106039.1384562,467506340.7848161,537709247.5321007,476101335.8148122,493965129.8089504]
["Com_188_pos","N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide","--","C12 H13 Cl F3 N O2",313.06923,1.284,296.06595,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},245375967.9240876,259534474.6228846,478254911.5562494,277035085.2778617,669911715.3257202,380219623.928484,121738717.950839,332297316.8174852,623488464.9497063,1094417112.658754,497043014.103019,354436824.8490642,828402973.469946,204470453.8245735,380650447.0797271,192239699.2729072,413430998.3755549,440012357.1703573,316118588.4910198,351191739.9310789,340969212.2664721,303556865.651486,720428332.4002011,276979718.3290662,538923303.4250596,418462362.5337968,880765412.7617607,204464127.1315308,1798976199.5587,1714152773.858064,211361677.1657878,203371601.8007953,206781786.2702928,308399853.4738982,115341017.5763766,344733856.7218969,226826659.3742004,357036561.4399695,308654164.8305368,235189449.7744715,357293486.820073,314735350.3126737,158304566.5867645,389140345.6753235,239359510.080235,541374407.3911537,287721635.8901112,120694088.1849205,740301472.1937594,150500948.6986567,178510645.1264755,160086218.664264,343035000.6769561,1304154296.786452,340070639.340529,156965035.2125745,394855525.1639527,488306811.6298669,327700166.445431,358903699.1127337,392444450.6814657,426000175.7504156,435603449.8850256,474297872.5025805,464582639.8558456,444062494.8757002,468277056.9780442,439267143.111379,467911551.5900843,414666607.104373,467964605.7825573]
["Com_244_pos","(+/-)-CP 47,497-C7-Hydroxy metabolite","--","C21 H34 O3",334.25021,6.855,335.25766,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Benzenoids","Benzene and substituted derivatives","Cyclohexylphenols","Cyclohexylphenols",1521860.922055449,801198.8164146971,1763520.279533216,558181.5082939982,935447.2047888554,1076377.823403074,984904.4463201852,464404.9891871409,1443489.392750973,959351.3955674188,701003.5118580643,679263.8770245846,637058.4770870927,882970.381407801,835446.3193016964,780269.0708416868,476475.390360158,711670.3313635055,1053232.044487773,1158402.216418534,898666.8566783029,872211.349143446,1150181.762278039,1155808.01342285,1398897.761779261,4040861.808721066,582587.3761253146,689438.6496182265,776977.540099489,771345.369745762,682376.4034380738,1085690.881501978,849979.6409444985,1269780.846494762,759789.4850605861,1164740.188349518,961140.175942788,834762.8753586725,1518613.796128651,540810.7745632118,1478734.552079031,2403249.559549188,2816529.603539838,661565.1291655792,3893859.407304817,2223363.488155046,9714255.842291826,1235881.023774568,973229.2851368045,1143747.354670435,1495105.642199116,1122160.044478442,15874095.37379267,1708769.796607088,10244779.58521136,2306283.842287992,1327486.205046092,973756.1868008096,49005691.4123115,46394522.19638389,45870917.13073102,48480088.30839003,58899636.69574982,57716895.85972046,62593226.87235508,58886824.90306729,71169625.27608176,49456414.22175333,68938417.3032427,72278213.11520815,62349825.55407371]
["Com_317_pos","PC (16:2e/2:0)","--","C26 H50 N O7 P",519.33148,8.938,520.33917,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",387150572.4128962,350906174.3872418,334462831.3642492,190863099.0286372,355478029.2356037,350738365.530384,277662577.7635341,268705083.4714385,369522878.6926691,552198624.2890613,283071027.4241427,351815995.462967,340669049.5306824,274376146.2550908,322226332.2059506,301681298.9103476,227034173.0579933,303666804.8908204,230494236.1375729,319915933.7442015,377014707.4065191,209134697.1739368,351168619.1193961,222912048.2477744,251981417.8011149,292196815.80602,242828342.3546834,199773008.5287625,315894251.6833919,189672952.5724266,413050142.8158705,433603204.9202641,296255193.0997635,326477733.3259154,214004568.6315584,386170871.4846387,310684855.530803,343449293.7252635,183967857.9169044,370017946.6898516,351477602.3295637,254727023.260518,215871947.3262029,267201074.6922748,267861420.9591725,285420538.9191306,131159988.0944327,178032314.8227752,275796887.9227842,304169119.4667324,265504700.0616518,231135141.1741827,170837461.351396,354907418.3744845,251423801.6398827,241409007.8647917,316883912.6224803,166691213.8953782,268708266.602006,264222633.035424,229002406.9930144,234118189.5749393,216604219.1662395,191232006.3435602,185280041.6978444,190851314.594487,150215782.4130845,163815756.1925879,147828847.7089577,133031165.7360039,130471386.8408597]
["Com_352_pos","3-N-Methyl-L-histidine","--","C7 H13 N3 O3",187.09554,1.377,188.10278,"--","--","HMDB0000479","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",28848119.76746035,34352000.56010059,10147902.94979509,9365705.586875992,21847005.2888866,10398366.64063055,8076042.172175036,10463334.37984752,6718229.492117136,4088489.239164731,7136799.232268622,8251342.198939676,7849442.988191499,5634187.47506854,5087132.803901115,6876896.418828961,97122975.11987,10152401.11163258,10444983.55502962,29079064.7574457,20718486.87040678,83244324.98144051,7310221.814030809,10552906.06481054,11091480.67268732,6172622.773751046,9855329.805634908,85318234.1918491,9112043.763127305,40896714.8930632,11738911.57957049,9815157.62901746,13402863.91755846,16458848.62254701,7714940.762483396,34753172.42830238,36967794.99589367,9634365.856093433,10465910.01537123,9018964.761413444,49378092.20632131,7710134.1510988,11767337.38370772,6989755.380835626,13614638.86482475,44842224.85558993,10352069.13938189,9497752.294297531,69452206.13729298,91244264.77939336,74208591.27719405,9036163.991210371,44710464.15376458,12690456.76665252,59762488.0687003,11186277.94368402,7447682.10048079,11254215.31599672,59398614.9640773,105255465.0045547,67724195.46272472,64860035.45624287,60616166.08964627,64531435.09964065,78204128.51009043,87737157.31834526,66741613.77845832,64227872.89590178,67464253.39214547,94006435.46536808,70667341.82383615]
["Com_373_pos","Thiazolidine-4-carboxylic acid","--","C4 H7 N O2 S",133.01961,1.406,134.02684,"--","--","HMDB0258979","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",63797037.53053428,37233194.6586749,29018407.69431026,23348730.22584329,377203031.5817917,85488385.86344014,21709118.50807513,73536028.54093061,178547880.0265625,45177448.8035832,102449525.1063462,147304744.9445072,54575754.89137656,125150585.2135423,426151590.6252511,66483101.60007791,722102886.0108145,66824921.9232746,163065754.7382695,26372576.60072199,819537885.8939459,213801760.5090245,402553922.732083,104991417.3410341,29480065.48402759,128408763.9983244,177207358.4084859,77060687.94657438,79833724.84842902,308234996.2789351,692352250.5903554,386146843.0209972,223816034.0939217,732410501.8186518,145382306.3795515,341508422.561992,115419756.6418485,126580461.6837604,163472678.8941455,224063047.8264148,471048453.4050723,496196482.6410537,527872992.1602526,295669242.2268003,60204177.92595049,293164645.800823,96010232.42622627,152190525.8176353,514537837.0475941,185098828.191937,262439181.342295,217716042.4355451,528220649.9034724,213907042.9829099,223568281.2383031,280436396.5006167,643845771.2977529,506927536.7281202,256470065.195505,263008558.4611835,262836530.3495638,263851770.1916966,250539087.8319225,265690381.3527268,264829001.7063143,244670337.4153247,247483054.1143776,242563391.265459,248797243.9358785,249304825.5071503,255986074.5434716]
["Com_446_pos","1,2-dihydroxyheptadec-16-yn-4-yl acetate","--","C19 H34 O4",326.24508,7.902,327.25253,"--","--","--","LMFA05000645","--","--","--","Fatty Acyls [FA]","Fatty alcohols [FA05]","_","Full match","No results","No results",{"$nulls":4},1615568.984509557,1910976.363829704,2484670.527730101,1471579.931551466,2586410.708243575,1813903.211296241,1499245.116383715,1013314.769321825,1023246.464568206,1721072.275595616,1075176.977534273,1357092.515662798,1081906.011745011,2141228.407523221,1683087.05096959,1249676.510009842,2081056.231918937,1476496.053111606,852906.982090219,888008.1260939786,2172398.66844,1168445.188835412,3421807.889522078,998221.9996717488,856612.667163221,1302531.63371776,966404.3356852216,1096548.84660889,1352699.025526544,1269540.954957013,3915180.461095914,1932833.928647425,1803464.75814899,2891740.289601997,2209261.778520106,2344386.596290041,2114194.138538543,1584559.135600338,1500698.040960943,1362128.352244803,1797280.419157557,1155415.393378177,1287848.893827757,1731470.965774446,1575054.77070675,1195730.693779669,1589431.00939173,1922167.118362226,1449391.430689012,1877461.234479205,1426670.911939183,1404597.33334339,1092328.194197642,1980827.208441191,1944701.44482347,2322377.593463647,1669677.498034246,1392165.771708375,51303932.6137655,48172886.70514441,47765549.11343064,43759311.30718524,53581796.43842389,56974478.59335204,49914951.56917159,46838618.95202731,55763109.84876828,53080804.84701522,35601031.01792982,49347313.04796032,42370013.5063676]
["Com_566_pos","Enrofloxacin","--","C19 H22 F N3 O3",682.31846,4.703,342.16653,"--","--","HMDB0029861","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",556877.1875898889,522162.2796782563,723751.1292405508,646537.6280987212,680427.790854884,448078.8711236208,505197.7641041392,554898.8342341492,621448.6130023858,770232.4673315199,569893.2694059549,772070.6224259817,592554.0676598912,598486.7881259713,573065.0872453824,823206.77614331,531775.0817344567,534975.8231776793,1069115.925826736,1112009.935345416,502800.0641103346,302969.3306391798,377877.0337072124,618049.8560479289,620957.4699690661,528235.9804289114,695444.6805177543,597152.4128585735,689811.4603828569,393104.0144485338,433181.1898896354,527207.3600762201,425651.777598666,448138.8221878467,414143.6089545032,372844.5490687719,520764.7642301193,480266.5531806006,449769.1496951648,792401.3460238539,834605.761082115,500174.2848064347,437765.0416270107,421818.8677919875,329131.7651147393,422861.3434249623,777212.0866093524,524476.8092540032,298248.7641225337,411645.5993949748,417114.8215576668,593963.4084363133,344770.7984496635,566309.0295203859,567792.679560102,322708.9104151493,390191.9053582547,344630.1149571807,22042085.4907568,22877008.33108448,21893772.68637681,22714193.64828985,20728431.09889315,21240453.77349177,19433295.97951594,24521647.9364538,20910937.16684767,21377938.48548806,25233522.95755445,24352624.95777417,23348353.91804143]
["Com_663_pos","Arachidonoyl amide","--","C20 H33 N O",303.25308,9.988,304.26065,"--","--","--","LMFA08010007","--","--","--","Fatty Acyls [FA]","Fatty amides [FA08]","Primary amides [FA0801]","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","Fatty amides",58461865.96330453,140872113.7971021,120268083.5134564,163108597.0585122,218282240.1937335,160953485.6874763,95498588.1754126,162247418.5102699,100544144.8196712,73845986.61415887,119940802.1710828,189467051.5939633,109387375.712268,85029128.97972962,110982315.4762808,292035777.2197911,157253342.9789565,234648091.768176,214318056.3754849,165266623.9787498,122721170.6029772,93593768.3464512,115010997.218872,238706109.4250421,54548402.21805267,133229416.3768804,110851621.494901,38873152.99630646,171522409.6160515,231522834.3062231,120860346.4447241,39931026.03982136,147252520.1139037,56015909.84080027,121416614.6762615,30992097.74567358,111443699.8285315,416766929.7810323,77540498.73285608,166401878.9642915,137759026.8722744,184477378.9146393,213138987.5751629,123734468.2279069,239740031.247156,104154385.7513284,134781741.910871,93417234.33201157,110621806.833307,140591369.6556534,96145394.4754844,192413489.6607809,79335238.99558587,89164004.49546218,60285684.49631978,159541642.9390702,252208696.2985538,159661725.7276676,247341376.551127,237418931.4531081,192965547.4897655,127470815.6301765,207398759.6012515,184403800.5456524,261104816.6098884,160552979.8607023,53024098.60496298,165131270.0599156,198202841.9282928,183082696.9798585,195647654.2418106]
["Com_675_pos","DLK","--","C16 H30 N4 O6",374.21644,1.324,375.22372,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},12836666.87047649,21231678.72439045,12005057.00683209,15813880.37565092,12333242.03320157,19060593.3294399,20419207.7813303,15407111.90666308,12666207.08778947,15999855.98161929,14451921.4736285,12668735.34321752,12989053.66889483,16226840.30846372,16371826.34781047,20479163.96523304,17689526.72302169,14797970.84095996,13914702.42121857,21431508.75830263,20064742.97542427,17203340.25863963,13989929.83251424,20093725.09167643,18592662.3327213,23070411.51447911,20322281.34724949,21584758.40165469,20685226.54826637,31537183.40100796,18092929.75410835,14751704.3899926,15188014.59518558,16500168.65462215,11541409.08388648,13441867.88391802,13230661.99066069,15238893.90689486,16260051.00871732,17759067.97192352,13057595.19313626,11935302.82344265,12124803.96119615,15593694.93506758,16949733.78582877,14712445.29665098,26340192.21521765,16854210.37940422,10136772.42286294,11999267.8603698,14535678.04281933,8743883.822416913,14867332.87674183,12173343.61936131,12116255.94460171,13540834.8895086,18010460.10253825,22170928.46939696,17227714.7877725,23803233.23185263,23748606.85042526,24982055.42147326,25301125.39805748,30037317.63621576,21178934.58139021,27748534.19996266,27264537.88271289,28801887.60282236,25580688.22537498,26753536.44206603,24109288.03365243]
["Com_722_pos","6-Ketoprostaglandin F1α","--","C20 H34 O6",352.22371,6.382,353.23096,"--","--","HMDB0002886","--","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","--","--","--","Invalid mass","Unused","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",6602053.982160779,6733174.788639957,9148372.203075446,8504016.40603342,10096306.29593158,5971618.904742969,3933960.945624375,4619622.442990518,7134399.668426299,5399193.604518604,3863931.294524074,8101451.404050175,4694958.916571199,10804134.38391182,8873208.577551868,6566875.35411102,9029890.910899458,8427209.037531637,5209079.684216948,7538132.536521154,17907620.10429568,6056145.871554434,16958676.31201022,8253105.567353194,4745442.963009661,12363738.48423563,8480088.470588611,3598030.641481879,7546784.837449616,9901844.51679238,20884977.86467817,9981202.205484888,20146637.8203745,25512901.15981773,28896913.40152888,30458647.62018186,11923260.11479989,8447421.590245724,5274007.564505329,11204211.37326373,14781578.26922004,12265558.35988714,15214182.05277467,5164335.153369579,10779635.8619844,7645774.812012658,10099514.68672828,16443383.23405371,14253360.98321797,16066193.12174537,11902755.61380647,13358673.46598571,10920341.09127376,7920629.714362872,14419141.99719388,12123663.11960462,20790267.21740877,3940191.953927489,86387538.8837254,99139509.54057856,81474394.71478818,80228309.28166799,59394139.48661467,64916163.56043104,92955292.72562131,92658685.7443481,48338761.39256299,53745221.25212207,86120698.60921796,77558198.2560292,74753311.93715891]
["Com_781_pos","Cafestol","Cafestol","C20 H28 O3",316.20344,6.758,317.21078,"cpd:C09066","--","HMDB0035710","--","Organoheterocyclic compounds","Naphthofurans","-","--","--","--","Full match","Not the top hit","Full match","Organoheterocyclic compounds","Naphthofurans","Not available","Naphthofurans",1523405.50095354,2378359.823691592,1541411.960597933,2212280.839206705,1632208.737307014,2041603.491172098,1105262.942756247,1573668.288846445,1710458.886740269,1063929.37691669,1147520.844368189,1615911.336063447,1511836.490572539,1647069.151793035,1276160.87729185,1616684.798893723,1530245.372796862,1414738.007584065,1483467.737581945,1632569.305905075,2016621.327992837,1231263.822225808,3534385.427358892,1494496.748759308,1609878.780089479,1619407.739366653,1345852.957110574,1584994.089358499,1967791.567386923,3006398.878763366,7571098.613151777,4520512.30042302,3793655.049441969,6821521.300488976,9221919.262363609,10547025.32875056,9621905.206002394,8180840.02547601,13539358.46779068,29516358.04424104,3129712.073311977,2995659.528271178,9889503.4916003,1491748.038726419,4962414.800543535,1553975.081664615,2205969.863383691,14707370.95442187,2785601.953691603,3207327.800712646,1846091.524267311,3381912.717425243,4194729.461108328,3658028.26557707,2391933.440923085,2850922.469520618,4540043.518328885,5495458.988993425,11367252.3651994,15950001.30965333,13982174.25484178,12837081.50770016,20413609.11738502,10245883.78283411,11156429.82348446,14775278.4905962,15460353.31348451,15811846.60425231,12118029.35093354,9975928.361033304,12763086.97421962]
["Com_835_pos","Acetophenone","Acetophenone; 1-Phenylethanone; Phenyl methyl ketone; Acetylbenzene; Methyl phenyl ketone","C8 H8 O",120.05749,2.367,121.06478,"cpd:C07113","--","HMDB0033910","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",45437248.62984486,42446335.82426628,39949008.30330218,35542824.17130981,50219504.59590493,46488370.10351038,46216851.13514441,45691608.15877754,51339446.41174539,44003797.84818228,51608732.17798043,66604380.94843507,43805341.62745446,73903724.34858775,75162617.79689698,43281074.44765674,43981962.85194202,49006632.22549887,55948334.43255968,49052831.13608916,48874231.46254438,39495699.69205187,32147928.31995507,51797431.88502703,43781180.93924651,52039967.64886496,46219455.19498242,44715619.22612632,54707015.96818017,44060728.41062982,43119253.35560689,43970982.38779225,45201631.78418479,46470794.62769292,54700999.81161036,50164704.22825561,40365439.39142577,44491509.18607293,37925941.67831021,48807806.2274649,44833046.53507775,43240397.66787224,44412641.0622332,41096925.64560009,30206828.90179992,43707721.08722921,42877391.87951877,39144464.45473899,47783469.9115023,63381087.96518064,42718836.8889976,59826967.20679599,41515204.2638732,40314115.74051309,36630522.53028316,42081698.99020812,50197303.02279937,32981141.49887536,58189380.2399918,66256597.32655973,68872176.64790322,57173480.49854233,48190203.20562977,62730578.79889134,66126651.79578118,45295462.13022894,67578918.01548871,57696951.37440789,59585912.50386184,62911985.21260349,98375740.89431232]
["Com_854_pos","Glycoursodeoxycholic acid","--","C26 H43 N O5",449.3134,6.631,450.32068,"--","--","HMDB0000708","LMST05030016","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Steroid conjugates [ST05]","Glycine conjugates [ST0503]","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Glycinated bile acids and derivatives",89010615.11585413,19728986.143774,75251411.12343852,29896963.98671646,23844064.01377396,73587793.38031664,83568278.42301251,11429646.63270015,287615369.0886553,6430946.068681016,53676964.52626524,12457069.35699545,108375308.0712262,88609121.44403945,65004623.18853745,65826173.42610648,3184982.762706142,16563744.4328868,30955240.95892068,492598.8117102155,2070622.533555489,855557.7798137359,565806.6162996885,544756.9984557665,565944.2649940446,16675943.59614247,404802.3238178623,555629.1492408229,481328.6796664314,835798.3023284131,569659.7204175544,437567.0203750251,599527.3666613556,605052.9638431278,812217.9946205608,620327.2179902014,925733.2534846428,430137.8065224235,470251.3228661254,450182.0777713425,9772489.342455694,64743628.90725863,4833767.252419086,20999843.99629474,11828886.08193776,12981424.31680162,6385977.649559827,714222.1267879066,1729569.362743532,2053027.39966715,3074987.834035191,18459540.62671976,63138322.12989502,5969312.082903817,3496939.66901394,19976897.34527011,2740155.724067111,12339745.38874726,18250660.2962922,14612280.82093842,13276664.95124382,15832949.25606942,13821215.0175863,14778778.19904323,14516532.09513924,16551076.73917804,13453018.47712267,15819201.30912186,12303796.30724437,17051027.08729629,14659726.13990606]
["Com_948_pos","TNH","--","C14 H22 N6 O6",185.08005,1.404,186.0873,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3420543.059455577,3818936.802474022,3347489.749129608,3173765.303982924,2896681.899480756,2888029.834971524,3075558.438480476,3166500.463241323,3848385.250062172,3587131.965418086,3164517.92952544,3205209.315613908,3194482.209202636,3341550.039523102,3130194.572691931,3172246.826079692,3812712.447150056,3219117.686917835,2936590.01374703,3200934.418183242,3410824.022859053,3666227.286842208,3897728.387888411,3622662.396923421,3239056.908885783,2702588.090144492,3224443.798168282,4441170.463917916,2908886.131324072,3795080.428905871,3522936.306642732,3697118.914753777,3624114.215832591,4999803.311827507,2993757.011447594,3229226.655532814,3463711.58280939,3741264.580045555,3646994.477406697,4305796.221111284,3873550.755662046,3838392.353291636,3461991.254774045,3408182.260673244,3519846.308236841,2954443.160674182,3207756.577621941,3266127.276579879,3620436.292426687,3491304.49552095,3933814.851288891,3523620.833154685,3162228.342773733,3537839.154564017,3505432.478308006,3723981.378729515,3075889.051857525,3224551.230513693,19185593.9944719,20977726.99872911,21019281.43533412,23693133.84761966,22937965.24345593,17031254.30729698,23093427.80085644,21002543.23183425,20201688.26162603,22190022.90203273,22484310.43568058,21126624.94472654,24949134.62620052]
["Com_988_pos","Avocadyne 1-acetate","--","C19 H34 O4",308.23455,7.941,309.2417,"--","--","HMDB0031048","LMFA05000644","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","Fatty Acyls [FA]","Fatty alcohols [FA05]","_","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","Long-chain fatty alcohols",542762.1893843915,648863.6487200089,1420164.164080577,630391.0436018372,1133417.071922361,728390.3836113416,557373.1716400255,397037.4104819316,363222.8481178671,646624.5377003846,583269.5901909256,522510.92528789,367349.4209982621,874086.2759831182,594082.9384884428,368759.7052923255,548998.2761232869,448336.7158914837,331680.4197637636,542455.2922820692,983929.858743686,453357.4385613285,1261192.295283181,399089.8228614837,342294.1755390535,425407.883677509,314652.5762283802,350988.7058140374,639391.9927970129,409451.3153481005,1675483.968246171,874327.044090912,971753.7469532888,1630858.524321285,1758348.843514238,1182498.586805014,952457.642637622,611608.7569589769,487389.2943098841,564471.1663168049,911290.8123770664,531371.8904192162,526860.475804298,708855.963582075,802782.8421902634,430949.0870032368,552695.7102025965,642175.4896243659,701891.313256901,772363.2634132655,513623.642953202,599250.949571182,374396.9300833087,828366.782927775,771129.9712497105,909767.025178396,633631.2676681008,501747.4044195591,15789360.9223084,13300143.78843646,14718925.80911615,10691570.73705911,14357261.37146117,15658877.95248177,13054497.93555157,10555663.16186242,18306083.644655,14492438.71104806,15133926.65012481,12889786.54603851,11846478.68841778]
["Com_1048_pos","13,14-Dihydro-15-keto Prostaglandin A2","--","C20 H30 O4",334.21124,7.121,335.21848,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2270201.787122142,2879577.916943242,3455522.776601939,2796928.061159514,3208361.883905699,3622676.180137416,2201762.346041417,3378615.564408752,2859688.08355796,2029022.590112773,2377029.488454217,3295085.365805,1336149.9865426,3949929.04853569,3823181.706442143,3366814.002602335,2548871.335373991,2053556.74143464,5750433.930705886,4289534.046343246,7064548.075992879,2521497.681299311,4382080.581193212,2614961.450219082,3533624.818111528,3737217.809975147,3165888.355464251,1676757.494122085,4057866.57238476,2792376.666438201,5321883.274196307,5056028.581339597,5073236.626960105,3505367.307041128,4332231.27129339,3198596.559180527,3911128.259955679,3678906.348182189,3038865.19422531,4023276.375016684,3489932.170934541,2837302.204543409,2556711.493175219,3035145.723478912,2156942.657130928,2325324.645980481,1705476.314161388,4452085.804990436,2504435.379044469,3463466.37201235,3132465.525988031,2735837.051233204,2175412.769998475,2638284.557800928,3127828.059697133,4861839.673782175,3186474.445048976,2547814.358123616,42103961.3159251,28362453.0033708,40300043.61855768,36017130.81263173,44523985.92914938,31964664.56403708,40021060.77576847,31167124.96858278,50505708.47566975,27012130.01027803,30600958.04084913,43134045.98130382,32169688.58318552]
["Com_1085_pos","C-8 Ceramide-1-phosphate","--","C26 H52 N O6 P",505.35251,10.077,506.35959,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Sphingolipids","Phosphosphingolipids","Phosphosphingolipids",433695.0158856795,855670.4446125577,235372.3634952694,249082.8815951288,370950.6639846644,497441.3424301745,141406.1297536441,268989.6973262424,778638.5954468738,128463.4627996871,268590.7682209723,279571.739129269,183869.6885626197,375030.0808433518,208961.5540550932,324897.3536772016,427530.6380265751,314535.7180265907,220777.3081910812,353284.5538564361,221373.9741713913,173584.8671375496,165109.6633469026,376286.0731758772,356203.3722297777,423477.3815644706,494344.8646621172,400693.6440348566,308618.2836285897,336958.9895443622,212839.8957194219,387549.5626831509,311887.4354804642,209784.1502101828,242199.3869455776,347839.0531155678,313084.2993520605,498848.8974413911,329317.3565465198,439984.6318987714,258872.6318553165,243858.337176948,312631.6073667175,212235.3252275536,219584.7695754564,300923.725717267,316358.5375181853,535854.4006746016,233681.6387394727,224124.4932344331,227950.1162141716,155298.8595571371,195645.9434417504,145941.5854330167,174546.6226447861,303206.9315090858,185460.7887255937,177297.6730956576,48781580.8123329,37265478.90544885,61598495.25148387,52963431.10306583,49443054.74191736,47744129.99554087,42685188.06184156,37636474.60326863,35233277.17429353,45330191.24467836,43838384.88873899,34271823.60687561,43568534.32289287]
["Com_1154_pos","15-Acetyldeoxynivalenol","--","C17 H22 O7",320.12194,1.365,321.12927,"--","--","HMDB0033444","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","Purine 2'-deoxyribonucleosides","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Trichothecenes",3037475.728434128,4380613.729660231,3361658.780138088,3568817.108992841,3044973.288614273,3224320.776795398,3008225.721183392,3307995.472106719,3782218.098964461,3031253.949270436,2765644.701592682,3391355.849680124,3007754.012299608,3153706.141549993,2700203.805798301,3392917.303066085,3327460.377589189,3051902.344940559,2893282.103927979,3354907.798896381,3112481.218605484,3342056.592473482,2938383.362221795,3413343.345273677,3122349.594744036,3319125.701463215,3147461.398179485,2740970.562475977,3288699.598520939,3720616.448818991,3699910.441644097,3814370.544121065,3753044.787702862,5666232.968927305,3496736.790890711,4928157.000292695,4561462.649565774,3615973.053247849,3245511.369412592,4708539.900717875,3423116.284310792,3589062.853998313,3293003.230215274,3802357.724398679,5476993.320491152,3149083.443367251,3712660.357989538,6434991.223753854,3648085.965454403,6448485.408067886,3888711.627909894,6354612.239424922,3647597.882572709,3628197.138743173,5208756.754200728,8181079.963026704,3418622.361209027,4139278.206708252,9494121.96336581,10122682.70766712,11339765.35682873,9421881.366559628,11181342.24852735,10556561.97698711,11328488.84988911,8348377.06926513,8174558.754931118,13325802.22058764,8340547.225173995,6975475.951742596,8171195.844167332]
["Com_1242_pos","Zolpidem-d6","--","C19 H15 [2]H6 N3 O",313.20027,5.112,314.20773,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2295860.634162954,1974973.539983331,2139293.553172787,1870696.136400568,3052819.648235576,3340912.322339727,3530511.57998713,4046410.725087919,1843781.708607146,5617352.421843277,3928959.016304119,2682914.570874905,4775983.573598124,2775655.606630888,2453437.203105198,1416014.516196078,1305569.47520228,3036067.266216021,3368844.303246615,1703241.263596605,4173934.399938721,1301170.150364289,1838942.311651328,3468167.365866478,1982572.721844176,2697933.032611628,3892746.64320024,2271508.659556134,4333012.341529889,1677573.860277586,1596582.324433732,1663077.248493422,1500106.75991566,1185462.637146936,1062788.896599166,1031753.612922574,772139.62504565,1636173.830187411,1716989.475511866,1760635.465719082,3199344.829403127,1341274.61905463,1408794.148308421,2920591.839821389,792686.3380870334,1283257.738443568,1344341.981921014,848201.6314869049,1521385.990599643,1350913.116748482,1723479.440258517,962030.7793340578,789477.3131727063,922899.9500664048,840645.7514894847,1378282.352820477,1783372.689475822,994376.9736959094,30070473.0268672,30699382.83220141,29178091.02401512,31490386.16607348,30286047.54451785,29320567.33395491,30154497.81031414,30365272.86648415,29949922.49254012,32488161.03555752,30689351.04383446,29055053.65520177,32453614.13340404]
["Com_1407_pos","3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol","--","C12 H10 N4 O2",242.08029,5.804,243.08766,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},8542605.331430651,7741851.577948613,8555616.575258425,8196119.41127256,7854321.792093913,6943245.722341552,6102256.067256481,8136074.287714193,11994898.93850313,5729935.054979551,6538302.112512981,6163972.479085461,5706107.666137843,7715428.161284546,6768530.82728137,10870381.93823601,4886763.083855342,8761410.259490818,11874054.64421062,5416876.873964333,5416573.065481924,6322479.843434409,8879715.237306315,7363261.766746866,7593860.857488796,7172415.203960511,7641688.712876674,13258019.70082071,8983768.125598917,9407991.179581348,9088634.454685492,7492549.701532326,11013750.96546297,10323927.57393999,8959054.470998002,12699396.83379098,13094987.48264088,12261741.59447732,10496503.87613516,10436811.51790675,12047069.19806679,9058586.301063431,9491495.2975235,9664805.020904224,14630388.64106837,13873398.20232636,6521610.334578446,12032941.72684366,7632926.046526843,6555499.260643704,5334392.486683245,5954533.452023658,2941533.28142046,9032059.01677131,5017199.441837602,11921512.56058126,8092171.642020812,7367540.758471561,23749094.0016054,26223610.52418317,23596311.40649343,14441883.27377083,27125783.14601487,24500536.46593992,26574834.06345106,26877491.82883359,31263979.47665711,16540382.29276884,36473122.7515905,8341350.564587176,32487752.52114373]
["Com_1444_pos","L-Histidinol","L-Histidinol","C6 H11 N3 O",141.09026,2.412,142.0975,"cpd:C00860","map00340  Histidine metabolism;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0003431","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","No results","Full match","Organic nitrogen compounds","Organonitrogen compounds","Amines","Aralkylamines",1018777.176023584,915554.4857647418,904981.7556057832,831286.1158276242,865629.7656045491,969685.3940191872,1001559.630341146,902159.275890517,1006121.306353702,836371.2885535507,1071007.313133983,984461.585682021,851018.7408714811,1085266.057541501,920299.3855412968,1034993.59725013,1150467.382364722,983988.7581776808,1204178.1560955,1048917.181918773,832770.6046266668,1022885.68636421,922636.0874744144,1078573.445165955,956552.1847813614,937736.9814115104,920560.623556952,2782724.606276913,1129600.751444671,1063510.363238138,960669.4735080488,993286.8313572236,957967.2128005602,984625.1639506164,1007321.894984305,1332796.606197145,1298870.912351405,964046.851497101,1526335.193465848,949475.278996072,948830.5585783884,1024381.626024221,938837.0221283124,1002822.680915675,1193623.677091743,959999.285704284,1050617.993929033,1075710.758278969,1053584.882427307,1103147.164497933,1097194.671672282,1037428.773788862,1177576.688113615,998059.311993803,1330567.606919187,959036.1473829306,1107587.425129406,1076767.207758206,12470786.3236766,17401337.84849172,19225265.07120355,18484629.50561076,16806921.51315231,16020251.83199989,20848765.65814056,15471523.39209636,15500773.52515541,15567434.88794739,17346616.43489853,17062433.91038172,14147307.21032948]
["Com_1492_pos","R-1 Methanandamide phosphate","--","C23 H40 N O5 P",441.26986,4.863,442.27722,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","Phosphoethanolamines",1674518.746013732,1749131.393260032,1839587.664643399,2091490.674366964,1629718.708996589,1481253.714978881,1599864.271463843,1561449.961460867,1938879.243567963,1748019.549528639,1577847.15159846,1749572.841151842,1463976.153729345,1653506.721207954,1661318.938720569,1300323.000735696,1262614.166770324,1459919.324158478,1670205.572623679,1750418.172193522,1779576.642272072,1283765.574228766,1153042.136505425,1512297.418025027,1573498.280280483,1564959.594562839,1512909.300130934,1223875.739044073,1355344.502631875,1312176.380658767,1255607.229715333,1279935.520985763,1263807.030173784,1211150.16994274,1580533.514312414,1052514.714774872,1332683.064626868,1270480.14213921,1383749.970990433,1413685.380913154,1707698.29914059,1246998.992246119,1589535.726923046,1502013.541807149,1134413.526960801,1235202.604928324,1346849.40058304,1167132.897621597,1432513.256980004,1328012.180891876,1211620.351642208,1292317.813730547,1100560.163134329,1114939.627486586,1118147.130564685,1224937.856958114,1311656.086087496,1315690.793183899,8503051.95936088,7219857.04471603,7744733.339588066,9555950.563893966,7810526.284740331,9204023.83828695,8127405.247690643,8119040.923173083,8898684.76406397,8926246.530178092,12363360.34041484,11045399.59895864,11197695.8954311]
["Com_1559_pos","L-Hydroxyproline","Hydroxyproline; L-Hydroxyproline; trans-4-Hydroxy-L-proline","C5 H9 N O3",131.05859,1.433,132.06586,"cpd:C01157","map00330  Arginine and proline metabolism;map01100  Metabolic pathways","HMDB0000725","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",11140882.37288573,7488060.102688498,8841788.930272412,8746173.92516864,18160536.13705422,7492676.829809188,9564983.498140773,13411175.08851883,9863457.793101847,7842682.369634519,9482939.561604492,11491085.16718527,10231451.4221222,9732825.07543535,6368669.343348841,6073820.181650667,1515036.773468656,10625430.2203216,15657968.55592201,7079465.136221393,10547769.08171614,11151693.10491622,18088457.17722174,12234946.8837602,11946546.06277368,11436842.85339567,6247962.94034958,9373223.38429084,8883041.41348327,14575079.49959472,10164040.70222695,10564292.10982882,16380015.5364484,22975720.75880642,8171418.707542716,23906920.07667731,6439574.349484709,7766081.315711701,26121887.04976326,13244840.94080853,7351969.753399099,6316702.063297409,4006473.703023175,11075567.21369936,17734579.02511671,46606100.65131723,6104338.853615181,6120647.780011771,5182621.168686312,19572826.83549059,18940973.97320309,10153786.2256776,9915771.335484412,17065425.52947035,21376329.25079113,14082615.11089623,14042645.03509556,19479979.40806125,20263058.3066755,15832138.7930982,15697520.95817654,14886495.04677351,15655649.71925256,17667424.65445558,21909924.74467497,14266023.19529046,20027573.00624806,20866217.88970955,16547903.59637716,15991913.65453319,17386141.0371025]
["Com_1671_pos","gamma-Glutamyltyrosine","--","C14 H18 N2 O6",310.11604,2.3,311.12354,"--","--","HMDB0011741","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",28917221.18713415,25370559.25093721,13547192.3197861,18359698.35314165,19862086.86473936,31875690.8278667,27320608.08678133,25565068.19401748,31480111.34510457,26170200.17280928,22688526.31514578,35588555.0157686,27756980.96551714,40359669.32683475,40432630.02747982,27995360.98462511,38931957.30996888,35919950.48026929,29955491.4604952,34591836.7793828,25060881.52844758,16447023.5228949,8607659.344118865,39979884.27863827,12148301.74978449,25693932.68730725,21292070.27463622,30684944.84827208,20443365.45455514,26861815.98745863,27637628.94350754,22734684.89514383,34182437.89821512,28777640.91677677,39523188.34548817,40603395.94733077,45534221.39366346,25629290.41434104,26517261.64288813,42514859.5166764,19817152.63400403,20647222.57965103,37940132.07435442,23402967.11616521,14263460.14250936,20832204.07614417,17984436.74334102,25218471.31025106,38339514.51104819,40533957.07891381,31355464.64937745,34054963.82032354,17365899.70850982,13225827.05738334,15331459.84527079,18648612.20414989,32194050.07296196,10796375.56420799,29227918.2181148,25039625.09517709,27309318.37755401,22799233.75645833,23379682.70934384,19362615.66538339,26884803.12277139,22900245.98103336,22952607.19196225,18745072.71720042,30054279.37365687,24901255.21073048,28290429.24822513]
["Com_1687_pos","QNK","--","C15 H28 N6 O6",388.20689,1.333,389.21408,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},3010835.801056151,4368490.860907936,3352355.75761736,3558940.798484024,3036546.65850941,3215397.822158297,2999900.785946972,3148337.649089942,3771751.224586597,3022865.285934727,2750946.918485424,3381970.643771731,2999430.38246586,3144978.605182551,2692731.287479578,3383527.776006444,3318251.995402269,3043456.539431151,2885275.262564224,3345623.458976914,3103867.767697528,3332807.816860378,2920815.785491064,3403897.291379188,3113708.834185855,3309940.384579696,3138751.143455429,2717565.078777746,3279598.482545193,3710320.050261577,3689671.344693912,3803814.691372415,3742658.647268989,4743763.227527693,3487059.95476834,4320533.054090119,4031381.776880486,3605966.243827623,3017025.306250137,4695509.532200132,3413643.184877817,3579130.515607427,3283890.204410118,3791835.115813031,3961834.609384185,3135743.436903358,3702385.977042184,4304520.608139868,3637990.287066501,3883149.293729997,3877950.044353353,3790753.744240308,3637503.554900721,3618156.500505061,3672073.418461981,3943200.320842204,3409161.698216073,4127823.207585781,3382860.20472764,3530056.889051165,3539304.601786891,4005322.135249821,3272023.778888933,3991970.125742942,4736118.807370522,4738569.373843864,3945113.251249375,2904634.532941741,4741813.025018896,4751821.324171847,4104515.74756934]
["Com_1794_pos","4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid","--","C9 H8 O4",180.04238,5.032,181.04974,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},14238432.9591204,11705032.00182082,10067967.57602696,8986321.101169487,8894463.472716428,8417116.334580641,7173739.392056226,8443819.207618583,7485922.09948786,9347338.595645169,8574503.535409743,9178839.702890215,8904009.21539208,9338199.94597638,7516738.305450639,10733837.15114224,10161790.98943676,9585839.23920352,8180842.018959911,10050071.45121193,10988462.94773473,10512905.78142163,14167651.05917924,9898265.62534707,8187606.948051877,9464864.302648688,7759526.245914658,9659261.971844465,7944066.490090129,10082701.52098895,14059837.3035926,12594516.78088997,11687356.16285471,12268272.3190995,9483194.8483402,12814645.33072703,10282523.44496147,9128537.2853188,11042072.63670164,9576259.008280825,11848758.57423436,11373344.3335102,11619325.59966589,10168460.52552198,13792949.17172576,9941425.126211176,9858083.50628845,9424860.275051052,12309096.89172492,13152600.37304718,14528594.41341005,12518826.66637765,10863000.21272294,12419153.93856215,12900507.39965705,12463226.64439477,10081376.07353858,9010811.49585868,33827986.9951917,34928737.40549168,32011860.81432031,32313698.66165588,34647688.080084,34234706.91446938,32886185.40069456,33039858.5009481,31328489.86631099,30570210.18904915,33943082.66327368,31568535.05970164,32574923.22441367]
["Com_1845_pos","16,16-Dimethyl prostaglandin A1","--","C22 H36 O4",386.2449,6.31,387.25214,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",3369547.631320171,2402947.480529758,2427370.122090376,2562739.262389412,2404592.142799451,2148098.799155006,2223622.125060613,2145926.490095287,3429278.025912175,2087146.987690826,2054012.799274874,1938598.769794933,2628661.598630909,2390433.568077056,2574969.429334295,2495652.35371373,2377493.556011679,2434415.627175669,2050416.21765794,3248219.702548556,2262232.721670317,2862834.36577819,3274505.895918826,2630913.555716238,2114450.478293401,2194832.686605059,2161231.708458069,2486165.821962289,2219616.638182078,2247726.303928704,2757970.445515024,2748100.392573319,2530707.062785662,3239957.428530253,2531319.862904225,3314220.076429464,2789342.420175815,2231417.31324607,4171985.997275726,2614633.540486527,3103762.290490163,3800505.780285,2513903.102851768,2330644.597083937,3162482.310402526,3012877.239651777,2940932.208051286,3085991.113875001,2552348.183257461,2902714.455247131,2897562.212171866,2682906.056526759,3512138.394566977,3705536.562707438,2504974.605242341,2648193.903903624,2775366.184567594,2614937.699556347,32957782.9080351,31683745.37430673,23265978.21243912,34253494.99413001,26355194.72228864,26310791.9036248,28404998.49955004,33881005.41865704,27265313.47227366,25658194.6967048,37781731.03225997,23287006.22000523,27270124.15963232]
["Com_1918_pos","3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile","--","C15 H19 N3 O3",311.1229,4.951,312.1301,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No match",{"$nulls":4},5973101.945489272,2168372.830041126,1839174.304902604,2222160.025347282,3641065.903593285,3523331.637986681,1413376.364866295,2292921.263569778,2070904.511614318,3849456.246924687,2239974.447081611,3698694.563906606,4946706.832353214,16555391.02473091,4808148.64249048,3728537.001339197,11989498.13569279,17798674.16490164,4140362.784781152,3050018.454454668,15998047.88197877,2916231.772443356,153943422.2282,18713964.00896822,2080064.344085998,5258672.451825377,1956393.455895348,6002130.965195547,3636387.686271586,7451358.960497268,15643311.4518225,14764005.54123898,21756721.00403838,27427827.66014098,4940759.91251095,36202066.184991,38410797.22861625,13121396.94904841,10117662.71911529,38531661.84582139,6948698.417823902,12612887.5586975,19728204.00491261,3600460.122989306,4129000.476800918,5915232.712972628,6969207.083312351,3131559.041119078,15154711.20533645,16867479.29267574,7194354.53390867,15556789.84783665,10420613.46201386,2465152.213387211,30655888.34568984,5072766.26557502,9557131.094988078,2163798.332840283,7647282.52367749,7062903.642226135,6002471.639596656,7427630.876997118,7449429.286674454,7238810.125219775,6002371.185979257,7597215.218588486,7118437.667359479,6882144.263125966,8908694.344849126,10546496.72350143,7665274.662570939]
["Com_1939_pos","TLH","--","C16 H27 N5 O5",738.40223,4.805,739.40784,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},868963.325020214,923317.170740789,786685.8814915735,897637.9317164063,771577.8082565713,804446.3221410268,693015.5489551045,714811.3589055605,766985.0785073144,873468.8824675129,729585.9986153069,1100572.824648903,802334.5396664819,810523.6818397024,740460.2840862096,570777.2857485082,665888.0576421374,691936.9413494099,759985.1182897246,805199.0594743985,712869.6630642518,580738.8957017091,591744.2173353076,849079.9319913336,627368.1771392938,714777.953937471,759149.676260194,570278.1653438963,629557.3631633257,612122.1677553073,609627.6038176586,556984.3165897985,509794.698685173,492287.3114377307,710964.2695658635,556280.0549189395,586184.9348837544,592400.332431801,640624.572591735,750960.301389934,872481.4095174015,566799.1026775033,629980.4307454409,729231.6518039019,520913.8304962257,609399.849969571,709259.7461404991,514995.3325310684,660356.446445247,653676.7442051844,519509.869804657,728963.9686484461,977533.0015406116,500523.5873465497,754459.614941696,587509.356185197,599590.7445418347,545573.5415057634,3240837.39618206,1892554.860299533,2355835.802847267,2373182.82568436,2146921.644193888,2556989.771515155,1675997.473711991,1617009.249334688,1947502.068207866,2108593.177665169,2159960.474869454,1809472.70249524,1420734.994901653]
["Com_1993_pos","Choline bitartrate","--","C9 H19 N O7",253.11725,1.737,254.12457,"--","--","HMDB0250194","--","Organic acids and derivatives","Organic sulfuric acids and derivatives","Sulfuric acid esters","--","--","--","No results","No results","Full match","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Cholines",90889595.73786452,82892845.6443422,75059331.31480038,104498412.7511116,91263170.9243807,82937792.40006024,97449878.62021174,86760468.13198787,114797295.7918512,61630443.63131878,85942040.8659432,94860974.53586824,68053227.63349192,87415693.09680493,113393868.8177617,106194187.1033052,88697531.08773488,67688419.1739842,97426415.5924746,89107459.78345764,66558430.88994002,77435150.69447428,58466487.05990622,81609845.75480278,89692891.98145832,89216943.0268965,81715702.52276868,95390246.01151778,81666683.95656615,78565522.01338579,72261967.61108223,70839973.36106353,69399457.89157791,59216046.28677927,124739230.0232246,55463234.17562992,96179406.35578966,84486417.83657846,58664412.80743988,86602207.61028302,65411140.40645496,65397357.81657168,92409047.18722388,69020886.9525124,63533819.75888965,89514228.55148968,94396358.83481231,96073902.71022974,69590509.18540709,83500489.40726149,70569242.60517178,91971814.81744398,90192829.11927338,70102509.85100563,77350772.2898933,85526549.66145809,89956885.17954023,70450499.3589744,85048514.8188721,70746457.29677087,74784455.94132012,67998521.746707,73681359.26580425,80558617.9347666,76644477.14982274,82082964.11624928,76868401.73713677,78370195.94752705,88071358.1519417,73501633.9379746,69791688.22057897]
["Com_2079_pos","D-2-Aminoadipic acid","--","C6 H11 N O4",161.06877,1.325,162.076,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",6588794.939276353,6612907.844950459,7245665.145576389,6317448.974587074,9528256.957488945,6513779.664672339,7842988.444092003,6396797.048464283,7254392.916337117,6461714.328296294,8272194.579835638,7254224.055777933,10387984.9885791,9868471.591089563,8303704.799728977,7218874.659248165,7374655.279569129,10583089.05780111,9122762.168630367,6600585.604526101,11050379.24170042,9803792.84177207,23296383.77380787,7070664.53236177,6996875.81556208,7740756.033616637,9153876.817785775,7082752.496092965,9457696.49221311,11662072.21145705,8060060.623801396,5893256.468378454,6330290.870288246,13656471.27552014,4449949.655298987,8927608.006823562,5761707.293474062,8621779.177059963,10969853.64807788,5415625.915331449,8380877.388096749,6454535.580108974,7378466.787914777,7219442.457705298,4556598.651420297,5777578.797351144,8631423.286575595,6594327.701668434,9817998.442806492,6053823.856654831,8949072.720728563,6738913.361240089,5834381.178175991,7619451.670999492,10347746.29733273,7730228.794097102,12251397.86434482,8285147.397201932,11006338.8052346,12547656.99907038,10917912.24192264,12626939.68329795,12445215.83854203,13271294.51271392,16181675.90760717,12400546.4231929,13265245.73968654,10800284.06099217,14026188.77876883,11272410.88813124,11101394.93849419]
["Com_2094_pos","Norfloxacin","Norfloxacin","C16 H18 F N3 O3",319.13784,1.402,320.14502,"cpd:C06687","map02010  ABC transporters","HMDB0015192","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",8461484.167654624,9018722.7126892,8811685.878392378,9652105.411916628,9330363.3433916,8161512.578881402,8211811.609196194,11770160.17140008,8934638.351684244,10328963.71583762,9838085.62343686,8041274.656258364,10211487.49148474,10773573.2557307,9366947.170602553,9075690.25828696,12613639.41125153,9404256.311976548,9226870.53032757,9183138.011028104,11092451.24669984,9760445.796923986,10625187.45471507,7041294.769841345,8563866.070191253,9985541.101931443,11335577.2370602,9999651.365083143,8234847.559243785,7839583.768295503,12715446.95473064,10467228.28475564,10412287.92142161,11765972.97504582,7260391.631548209,9347933.251267249,8824525.247544242,11036923.33008899,10437512.71832351,7879990.236272626,9432414.795963343,9741001.358968062,9070455.167377794,11533591.99564459,7424203.877439568,7719162.613289732,9113763.860917404,9639352.361942207,7845825.877541919,8394027.798502503,10327955.11478511,9451815.32904117,9825994.36599686,7614527.199543805,9711716.258613396,12156370.2730311,10255473.72467949,9653823.35829333,13744891.5542944,17596361.55859844,18987348.17494239,18196399.20502613,18200684.93663026,13382054.76696362,19828281.62236282,15722939.47577565,12908589.75229243,12910959.58237535,11728464.165341,18501914.21344979,11409933.72642471]
["Com_2131_pos","Chrysin","Chrysin; 5,7-Dihydroxyflavone","C15 H10 O4",254.05709,1.478,255.06429,"cpd:C10028","--","HMDB0036619","LMPK12110189","Phenylpropanoids and polyketides","Flavonoids","Flavones","Polyketides [PK]","Flavonoids [PK12]","Flavones and Flavonols [PK1211]","Full match","No results","No results","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavones",2799136.666941253,3285288.736131477,2891565.015329943,5975060.09778561,3844380.171415573,3147782.507511546,2698225.457566916,4059619.650764969,2307059.898747968,2999071.198575616,2814058.847955116,4976353.834693925,2632883.582426982,2620589.537286554,2370107.443079486,2852612.467367511,3292425.824975063,4484474.833198264,2616443.698876488,3084322.834455419,2918681.774433895,3532664.859634623,2890151.019346451,3986103.162742981,2408496.376361209,4054173.020760656,2749290.243973525,5583831.771867715,2473199.540328284,3571401.937357721,4926111.30132574,4988164.518420474,3722212.169861508,7648760.916849319,3351341.472903205,4690800.185219243,3054074.392437056,7800133.326437419,10069602.92509469,8902133.119495207,3658202.80738025,3184506.199397995,5747593.348547882,4742694.412460649,11382026.25924842,4403934.741627198,2828650.661327,8520699.596324887,5534944.164431994,4732403.592656207,7492821.731689357,2509468.132255182,2872423.550169802,10941196.74426269,5574774.585452668,4641660.777098944,3622931.478514981,2839136.311062107,10267751.5743475,11010136.49297312,10281443.24910623,11500396.13559977,11779182.82216035,13705754.73523464,12598688.33980883,11150173.85207022,10093545.51420682,9905859.104792103,9595802.676385226,9465750.656801814,10542864.8196168]
["Com_2176_pos","(-)-Huperzine A","--","C15 H18 N2 O",242.13783,1.308,243.14511,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","Quinolones and derivatives",6824780.289055102,25537866.2723506,11489606.90304552,33952408.54346532,35254202.81576686,28342318.64785481,26070535.30534857,37888020.05106429,36739392.81778546,28596667.94575381,35791591.71985026,43240031.1373115,29890564.76350738,38783635.33321244,30477447.3094641,10622164.28319798,9676478.988588352,11094649.06525261,45954468.4167875,31711024.38034715,12356378.30549776,6965512.00868731,3853210.786566235,11658979.91354397,31684321.2451117,35916177.13454809,29225230.09143803,8515589.001647918,13007653.07838078,18876773.59446317,6268795.761902179,18291268.01038836,7578103.105978805,8526137.383198492,25192517.79012002,6919889.331433171,7464687.677716458,10842358.56673423,7197372.919041825,11793113.64762186,26830452.21152801,6133989.787299058,6161948.278812789,9130096.785678918,5700438.374929928,7505908.884718939,8686336.149767661,6085727.660178691,6883645.607058004,5585220.451316658,8357906.100440858,5459958.289893766,6624813.398646127,7581838.713667601,5304677.514854851,8755461.29895523,12066871.8271628,8302055.207723076,11339617.5243135,11271175.81767128,16431741.98409781,11267047.44660102,12354879.59911886,12040338.979977,15743411.61439392,8729792.74457004,11165217.94431414,10317706.141599,9895343.935773823,9344770.3153339,12900298.53440832]
["Com_2296_pos","LLK","--","C18 H36 N4 O4",372.27373,5.138,373.28098,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1090275.468038544,1034245.699436208,979957.5924382344,1043971.912136805,934639.3631488184,792693.3374017332,927253.3727399694,940242.1035430792,802704.067148672,1052280.334484759,936938.1386021004,1046123.830557416,860024.3527211857,931972.034080608,1040672.319152187,881010.6971374477,764543.6102645962,755445.1258360919,903672.2509244194,1070682.765199319,868447.794536353,938102.9265376272,784536.7305759749,886995.4502363486,950167.4880050776,986847.1740320416,864953.513776617,886113.0564017424,835769.1597815228,777924.0120567306,938851.1089532722,941681.2460987736,876002.8427949807,856737.4417468937,917012.3023884004,781142.4080149722,839259.579197689,795961.4667695812,823527.3934543937,737373.8452209487,1049496.07117815,821289.3689975541,1005487.680448035,820777.708607495,889538.5275398671,862840.2761877051,870472.8102872483,828430.3787923976,998414.9211983914,830428.0602365964,801468.5183722604,805275.2035358943,756445.0436056518,1035661.929824442,943357.7293223108,887511.53724497,702152.1143443333,747529.7070471955,7816199.04690356,7551931.204689181,7749370.254438576,8594132.457674185,6571717.686831131,8218661.152630687,7243745.223934473,8709284.888628243,9086765.455564365,7944465.096042605,7525497.60653522,9032863.397775471,7864244.076911848]
["Com_2346_pos","Dihydrotanshinone I","--","C18 H14 O3",278.09396,4.709,279.10126,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Tanshinones, isotanshinones, and derivatives",301491.0653800726,271026.4515990758,259244.2499860192,292569.1381349635,251403.6142389462,249090.2429728956,238654.8459551436,221874.5389267161,241889.1917705286,282184.017864274,236543.767509671,264040.443847511,252148.0939151212,251576.610416304,328729.9507172949,226149.3852792664,310405.2104594008,264040.7247631915,362981.633686816,264558.5053633419,320269.6412875986,263787.9894116046,368840.6023181759,383800.4337402077,345570.4789032697,252100.0897114186,231335.6263164808,232112.8554820404,243270.6594764856,317487.3012833403,301051.1136752451,267326.494144903,268129.946823614,312024.2099868472,311465.3705337492,297630.9413464847,332009.5198163834,244955.6785785808,299834.1668682128,300359.2488738488,297278.6764061535,269762.0456985477,265646.7312437362,268941.4203848699,259607.7055939713,387595.5609204162,254843.1953476808,302270.8992055706,291330.5444759056,416478.7732788563,443411.3467165559,285133.6511519477,249226.6270440903,333687.0422637358,320337.1762784931,255477.1270020439,534133.4802130274,232325.473496039,8022342.85206802,6254258.08461977,7557062.365806472,8115363.392996315,7271740.363028578,5996366.619140168,6795495.424116689,7918512.17234172,6377827.788771615,6890853.653663386,8690039.695841905,7915195.226736096,7499999.434323859]
["Com_2352_pos","Palmitoylcarnitine","--","C23 H45 N O4",399.33412,7.307,400.34128,"--","--","HMDB0000222","LMFA07070004","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Fatty acyl carnitines [FA0707]","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",3302623.345917718,5131818.373020809,5247606.774528606,4654532.944997201,2939250.504505667,2498768.624560717,2425493.750708929,2917505.370714326,3251267.55478724,2501729.547430021,2864074.622501285,4082671.38849663,2040865.408553821,2757064.636738844,1951009.897806709,6017471.053238461,5774320.66535097,5310146.910033216,1586298.721785452,5175600.543091077,4942554.106846027,5279063.6287634,16542857.34205237,2446552.268022067,2303488.178951988,5722044.284754204,3483502.15692084,8463490.007766847,3361108.185072278,2295952.939490755,11068869.70394668,8287372.613584246,8315858.178863651,9489913.889767569,1914221.411546998,16188898.30770523,9705878.59999112,11370663.67108198,7883054.510461107,2019122.18189853,6778165.331246671,11457032.46189923,7746330.329758344,4057761.608395988,11818747.07821515,3321166.387885395,5137262.769363019,6932043.450810391,7183409.668469733,7504250.783850128,9627481.27014492,3683553.933997744,10653691.43309114,5296082.073361404,7160218.734412706,5220578.363771276,1975684.01379603,8373686.733177996,40033911.6129485,9668404.480045613,32856407.58363504,27829899.28549199,33217804.1932424,27115346.60153575,28082137.59762784,41306480.20360169,19843439.30087587,29729724.61545056,27528480.03942244,34494887.47039536,25725277.40352843]
["Com_2442_pos","Quinoline","Quinoline; Benzo[b]pyridine","C9 H7 N",129.05781,5.133,130.06514,"cpd:C06413","--","HMDB0033731","--","Organoheterocyclic compounds","Quinolines and derivatives","-","--","--","--","Full match","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Not available","Quinolines and derivatives",10645081.7750285,9950270.635346465,9479975.789682176,10291290.23974938,10846591.99566694,11242386.75752247,10310562.51724175,12468136.95815542,10573401.67550288,12652335.99432103,12146375.79670428,11786384.33910343,11346085.89275104,11857601.12936292,12140043.19165643,11461287.27870243,8355687.564450097,11395082.99286702,11935252.95955201,12995864.40064197,11552591.73654235,8641811.569227442,9831352.585458957,12160047.601022,10568739.71196781,13887201.70306408,10875321.48824331,11280898.835083,11253675.88672629,9618992.490145309,11009910.87266904,9560279.596321644,9800715.754865335,9530473.470217455,12841648.63964894,11175089.42907288,10250799.38847872,11084761.404733,9616077.509031694,9721752.772526784,9982268.77969579,7717950.844316874,10908702.07839696,9266737.763183491,7824086.643089182,8230069.46954638,9722592.739632186,8690221.004944056,10919919.75224107,9848040.667257482,8224725.566883448,9227835.309369152,9871295.988782912,13228742.12536739,11770405.73364123,9872259.065204697,11058319.0260853,8578355.486626947,15687508.0482832,15992080.92255359,14639065.95179278,18853864.45128291,17568184.51688043,16140111.67708383,15857148.21769358,15708227.08787027,16095293.90112136,16492872.14230014,18154432.40643453,16659590.43606513,16946086.23064255]
["Com_2587_pos","(±)15-HETE","--","C20 H32 O3",302.22405,9.936,303.23129,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match",{"$nulls":4},518708.9581934183,2594636.165934908,1533176.329135092,1340569.460225181,1229762.996196728,1819377.598938094,722294.8372177237,2364227.731007364,1615989.36792722,423132.9620708144,1408337.995980426,1728499.186127596,627805.1195689174,1836745.295588724,1274974.666591919,1532349.491308548,1500234.371916992,1527756.810341931,1416995.065025228,1717020.319860429,987311.6182009502,1137823.432422246,1193531.795929928,2389277.126807773,2451022.800697599,2561502.558952712,2112165.969969596,1090427.820974851,1356000.313575042,1950136.4948383,2167869.427892132,2622267.952709408,2314845.633328207,3134076.871124749,2760900.153431249,2100504.732847014,1482466.854844944,1514041.781175396,2533715.791170542,1498835.555543308,856001.2488319393,902756.7051255323,1921982.572121473,1333155.623104283,1392326.3141516,1657061.032035278,1133833.555104159,1692849.060335304,1836016.270834717,2185950.997306242,1322537.512105285,2886710.674627645,809814.2205657128,2597556.937005024,1564573.155846346,2242827.972923814,730238.3318078207,1836773.794088106,2496855.35697779,2653512.843568341,2381251.741455799,1639305.844823731,3009624.494733641,2124136.599284199,2057073.681912829,1913076.779192302,2131247.257496888,2811404.792890613,2383848.523869333,1712485.437575306,1652769.224811824]
["Com_2728_pos","3-Methylindole","Skatole; 3-Methylindole","C9 H9 N",131.07347,5.13,132.08075,"cpd:C08313","--","HMDB0000466","--","Organoheterocyclic compounds","Indoles and derivatives","Indoles","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","3-methylindoles",33223008.79394371,26931415.14831668,26961559.95636525,29787127.84865741,29636592.37739887,32004061.12025986,30307184.16254131,34810167.63508446,30698375.21976192,35725841.23554613,35799991.36050603,37984204.16522864,32729045.80696208,35576519.96527508,37557474.66892566,34999710.87619066,25513459.49577336,31032549.28423512,35245575.70731375,34930448.68266159,30370886.74772762,27061861.5626126,22663456.77729647,32760124.45060486,30923993.87815572,35301821.07727241,33040397.74637872,32011730.4716116,33788298.04378716,29140878.50160077,28829578.68564899,29383358.42278369,27282425.88730738,27523414.26223947,36276929.23637892,25228562.85892842,31052760.9249261,28762505.98000698,29580363.33853624,32827771.41146789,30723732.00689965,23617538.1419099,37246875.85378778,26518958.07815588,24709960.24546217,26081201.7069205,26551462.81793404,26035498.29757645,34431419.70272517,30257192.08680134,18068067.56971913,27037546.28737438,23279646.67924643,30771908.94337699,34368682.56404319,27376683.60060661,31690377.44423681,24805937.97716649,26665672.6888837,26946590.80990184,25682062.76019542,29503435.84242975,28631664.7042583,28598802.65234353,26421696.09838576,29097168.95093192,33147675.10263826,25896196.97347275,29010537.0833804,27423708.15613368,28309922.19228098]
["Com_2739_pos","Butyryl fentanyl-d5","--","C23 H25 [2]H5 N2 O",355.27169,6.313,356.27905,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},301384.1941035022,239955.2418499331,221871.4534364945,211775.3440412939,184203.1244220092,181278.1706351368,253783.1547302625,154338.6927483924,609063.4034333144,150525.4851174497,199940.8498406361,197518.5114114689,201262.3818253835,225275.7851576163,206932.8245840045,221679.0684028631,200120.4335516115,192213.1009269808,168537.2824895261,298199.3436417577,237256.9507122101,907587.9675597404,514678.4182437891,244039.1300294004,212040.2588846716,246993.7566082054,305090.6839259285,215881.0300880217,180557.558799461,215712.0515588929,430381.0308028843,230100.5945538861,256865.5607527552,198321.486899502,226486.764880649,222568.0566074545,173371.7927772071,186636.7031330572,303119.8086992283,725267.6482364878,195329.4446467131,627276.2646650092,373537.1263719094,209592.2728867025,287250.3820461706,265251.0796802039,200131.8516473235,758394.2294246632,375015.1750586379,475091.4159558035,304558.1396774125,228604.4983334844,200427.6635492943,293756.1866352338,433810.0495802012,209100.2367135751,221978.1707242947,461451.6457661893,6179227.16740718,4162761.281157047,3882644.6474373,5201096.372459597,4795702.699947102,4420670.248419199,3921182.978437861,4100303.529434021,2722804.559705465,3754495.126483823,4086887.046925385,3369503.47441484,3200396.002107282]
["Com_2806_pos","5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one","--","C18 H16 O5",294.08908,5.598,295.09647,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2147281.471205917,2076442.728847748,1863784.07735639,1708629.270978035,1645441.764593488,1363346.099330387,1700123.302334011,1732991.463786032,1546424.359865631,2222139.0987227,1486269.434120549,2493533.601724946,1867527.224577837,1706298.242147412,1677319.457690337,1978973.99823519,1994864.646373774,1841792.562057432,2196589.71067815,2243275.152159601,1746432.171146441,2044353.759425508,2013399.797960792,1823408.539589712,1861045.266851098,2157755.516932864,1707217.706019685,1875500.867936009,2136197.034602296,1813188.226579344,2359956.228944624,2468147.409631381,2318423.159875222,1779307.805205431,1776556.45889359,3210482.309156347,1948049.138878182,1923368.19154236,1753642.390736858,1598186.816695805,2221222.887889078,1995791.264102186,2588626.618519679,1979467.269121306,1728958.525995253,1665700.897420805,2228390.879172707,1869421.926819288,2090429.545038334,2648977.095488824,3106990.90156185,2657752.828545756,2994951.616810686,2102216.724586542,1970273.729261107,1957999.132359289,2061245.930804808,1816367.451576053,9211502.86521281,9807505.621170769,8470086.755097458,9821324.631481783,9100021.86311596,8268536.141581669,9774671.01133274,11630479.08207849,10489726.55662789,10334639.19251668,10564874.96737075,11153926.8205166,11320901.62879993]
["Com_2816_pos","Caffeine","Caffeine; 1,3,7-Trimethylxanthine","C8 H10 N4 O2",194.07901,1.482,195.08638,"cpd:C07481","map00232  Caffeine metabolism;map01100  Metabolic pathways","HMDB0001847","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","No results","Invalid mass","No match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",11623544.46021119,10116545.56284224,9580223.135975173,9857481.611878496,8887910.292277401,7840157.141435121,8869700.64036292,10042669.74990724,8501669.676661888,14916736.20369023,11701349.49006981,8621203.71045764,14307623.78228387,7913865.593023679,9899366.41235882,8624271.114323618,9769371.48976947,11957294.23442838,7556974.473061128,9588731.014379684,12428082.87480442,8261903.486541822,9794250.124818567,9296910.210954886,8250880.3899343,9072859.254131408,9879175.440389393,7278367.567161246,12149503.00695538,9400305.812615016,10842696.8078475,8671556.550607724,9389774.66896709,10379906.31302742,8656749.357538888,11448589.45817428,8552811.84555949,10769637.60566306,8057592.561335741,8589914.901441092,13128980.79662008,11244042.32010027,11109056.42641079,9778257.859233348,9505168.019274777,8053428.260943073,9695113.304250034,8923586.312233055,9551321.111519905,10974881.6187943,10392080.21600628,7741562.587424186,8161499.593005354,11409860.31372832,10753665.88491629,10403336.92270968,12871532.19483077,7416668.467808669,13807772.6890185,13685461.15506555,11871473.99726031,13962899.18902888,14261526.47107434,14327888.21957572,12572283.2772312,11875885.76544478,16742565.24257225,13730121.33667359,11575587.47659564,13538096.45091194,14463068.32434818]
["Com_2942_pos","octadec-9-ynoic acid","--","C18 H32 O2",297.26611,7.678,298.27332,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},53123966.50508098,55817989.20587375,55711839.45205098,36952842.57402416,78787671.79574135,46644143.15611664,54405708.27351783,51437618.52272774,40322871.43141235,39386653.06816132,55793075.83774721,50184352.41993398,55562436.41480639,45519063.71716844,49409852.41437341,48994178.53085873,47712244.65605669,56442294.76465924,66955492.86299117,40943841.54506136,51049737.34346898,71708734.67740296,55822173.62779727,40161937.08244491,50186834.07332736,49194562.51148675,46384566.84620953,51388157.17747331,67361066.06030986,55741428.54563341,70564785.9331074,50156766.69006748,55912580.44012826,59555664.92165938,65190388.66230264,49296225.31774589,51366838.28051022,64371879.89070483,45762145.31137266,68043597.53370503,61618236.60314478,72765113.71823658,53142916.37943322,75970539.88389865,63102040.14152504,66813054.0500214,51206917.16783354,33647588.25579379,77606287.68164864,52799945.32505039,58565306.08172791,39804400.98092543,45558841.48633261,75241261.58503158,83757416.45073353,64519894.71141788,48610757.46860602,47828252.69007228,52029419.1260341,60686579.58618424,37655472.6808352,48652890.09373252,34614916.73267581,40536344.99096461,51151323.60164934,36195609.50100797,35926947.84654132,43224405.71244532,50963823.79530259,39760313.12829516,51109839.71773709]
["Com_2993_pos","methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate","--","C8 H12 O5",205.095,1.303,206.10231,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},8793129.523734268,6019022.457127119,8576599.321877832,10798356.78952165,8785323.99884031,8578282.062544527,9946477.537876476,8709136.358813895,7544146.094270417,40600920.60187305,12386038.94486811,8252555.691924458,22658024.16777604,8001211.813198118,4279217.034761505,5203786.565292704,4619384.813948855,9061202.468046485,4863616.814306788,5099086.909877194,16744742.62637158,4639648.175710208,5519758.910547458,5933205.851170555,4334637.430679176,9403988.61164261,8201196.399307081,3805183.640069665,9073077.213279825,5443878.543076995,5583685.617644204,5295343.405126507,5210207.224449455,7267485.983819645,4854384.725061636,6014674.233868258,5877724.589590262,8166948.19083025,7302537.571072713,12326018.53077532,14474793.5542378,4982557.435012876,5014943.248198388,10269834.23899693,5494093.359160376,4371751.000890327,6109617.413830685,5992383.084865938,5064496.94256302,5383059.04586076,5398548.262446384,5277161.078732545,5063819.35593663,6144485.95326074,6392390.25880953,5489384.081044911,7938564.876527374,5746400.172804175,13073470.6330452,14024228.00777216,11394881.05419812,8967020.324370649,10575206.93938156,9799824.560998425,10371609.23521576,9015188.583687184,8905856.318600716,8543032.217227796,9457012.638265856,7462953.518376199,8283053.337421918]
["Com_3110_pos","N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide","--","C18 H29 N O3",329.19511,5.125,330.20227,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2165387.853841735,3436321.703111515,2717226.854294241,2407723.592708724,5588436.190268016,5214544.637887462,9437834.771667656,13809004.49815689,2322334.431515644,16314644.60937141,7271507.525720832,7393881.863289631,15563869.02050346,5470151.791315307,4488361.76764382,1216712.974602227,2838296.704759991,5458030.529099814,8601552.332382925,4550176.123582491,7614620.160680551,909435.7499321122,2000479.50488235,2841273.508732908,5344764.601316166,5892045.363425284,9123500.338379674,1389176.287413605,11296146.68963279,2569278.373896902,2018822.798577419,1828867.773568874,1286744.244747111,1725932.804150947,1612271.983997843,1442897.349453642,1334070.482763111,2116529.020502621,1565724.449775661,2488969.732565618,3701384.190988185,2018390.790745864,1316345.504624086,5468651.913965861,1224303.536786034,2051246.118365142,1545471.447430958,1008966.484314645,2016537.455906626,1670970.755595636,938747.5412651928,1675994.235879916,2020978.510860139,1219642.048516562,1492247.295554751,1929559.656786632,2747769.757979105,1706767.658434802,9357933.06583234,9058557.25362216,14256950.77693317,10399774.03076503,8100563.55687898,8827147.100163365,8677700.849271791,9168857.317556068,9439011.44372577,9083752.993995013,10418853.48216439,9603641.17729912,10819709.65241329]
["Com_3153_pos","Tetrahydrocortisone","Tetrahydrocortisone; Urocortisone","C21 H32 O5",346.21384,6.071,347.22104,"cpd:C05470","map00140  Steroid hormone biosynthesis","HMDB0000903","LMST02030098","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Invalid mass","No match","No match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","21-hydroxysteroids",716468.3587774258,563445.3098772316,785156.5093925582,555575.1090558955,502047.9376541019,903974.3018719868,955284.9032160522,453362.5276048665,486850.1200282181,343912.3102865363,399462.8216871757,444532.678942895,338843.4985491454,569413.3254988252,482608.8150892579,725460.3964238721,725978.2234675444,458717.9719559428,475561.6867035122,627354.7560444718,500625.7285716638,1108825.254734208,743793.7100734535,954534.458047696,606687.6231495577,516362.4283568143,720680.0290444049,646786.7441825942,463995.8834255028,954867.7655213352,550923.2843659805,890118.5306219105,872419.1519757786,525182.1819140976,599406.7984608428,890160.951142549,494595.3632544826,623355.4283622031,505854.7735033853,402667.1716551952,543180.1743504717,627756.2861084905,586053.6946294594,546740.779297678,726879.4347195624,594979.5719415132,867304.2463649499,940908.9559462996,588337.6828003998,736244.3438227207,815347.4259817692,855932.0634421929,1041582.196172448,724674.3991702406,711762.3689621676,595846.1510715014,505724.6395513738,690739.9534370112,4721515.99525089,4278972.601289941,5239941.940925151,4417607.320555684,5507598.902623482,4072434.758571752,3271440.496609327,6129352.368968274,5355995.869918268,6147474.044859006,6623715.56779647,4133113.759969801,5632527.231981459]
["Com_3199_pos","Hydroxyprogesterone caproate","Hydroxyprogesterone caproate; Primolut depot; 17alpha-Caproyloxypregn-4-ene-3,20-dione","C27 H40 O4",428.29219,6.261,429.29965,"cpd:C08148","--","HMDB0001830","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Gluco/mineralocorticoids, progestogins and derivatives",5305103.53248797,1280755.050118803,3519858.947137981,2151143.420122516,4015351.150595459,8799742.530191353,4985218.649040347,1392388.671489916,11659698.80224657,1324501.749533154,3875510.624763559,1605214.91762955,5513435.123380767,8064765.191074963,3144005.699623734,3114735.893975894,1234114.014918651,2447068.010630078,2452884.634772353,3464274.067873205,2067926.821878314,1479585.322258351,1317443.724373173,2773303.913568547,3716370.377195724,2124017.874403676,1337677.067722557,4192670.596403289,4769824.703404289,1995458.179677834,1357138.833077292,1984102.599253685,1683345.410034497,2283504.559549473,1155551.479043144,3430002.354203534,1390627.44816142,1324081.110233261,4302835.496409009,1434045.70660848,3280689.023087257,7443625.08795947,2632856.95948911,2689613.894422496,2033786.390582051,1628986.538960976,1493511.695439052,6677959.335912779,1305430.524448168,1379980.647558214,1537615.440062055,4374435.225147721,4859158.019054621,3841835.743895622,1390164.022236082,2580966.972137517,1619503.397655601,2665735.478805886,17164204.7620716,19185605.40639688,13266419.25207442,14913561.36207978,11419226.06030368,15114284.15952981,15595136.06701205,17720009.01777249,11310902.74118756,11402267.53601372,14360460.49659013,11715677.10092075,12209849.4337398]
["Com_3239_pos","9-Oxo-ODE","--","C18 H30 O3",294.21894,8.285,295.22641,"--","--","HMDB0004669","--","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","--","--","--","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",2427349.435539855,1316482.985203625,3297674.776121885,2718856.150616336,1100882.707663788,1567878.878616748,1084608.618781133,1192006.12442654,1281415.196584718,1636921.202745253,3123405.415928001,1422733.532617987,1447046.706777561,2169014.750159343,3465479.845226417,2577556.934387865,2295689.19344098,1133858.809077913,2452343.247020682,2076872.299783768,3138378.417981522,4389026.431071248,2022742.030245029,2265527.383741976,5762967.669633482,1365874.872186122,1251823.10560769,2155353.722632363,2196736.669926754,2650409.147665353,1711432.072901873,1309762.904671744,1540431.396982826,1439249.206826991,2263836.920054158,2067890.52072119,1975942.675189887,1919265.694433918,1767286.913081461,4161137.710227774,1114974.634345008,3370103.052202204,1714744.992119143,1324129.336158459,1581850.437600201,960950.8344683282,2972054.974221309,1898542.934600481,1276830.235952232,1815473.679852181,3198795.110879816,2304721.807139789,1440451.354254412,779839.3243723849,1105891.560090879,3014558.875344136,2335533.316457098,1479916.08700335,5156324.69240435,4082903.866835793,8748167.64296766,5935161.292294175,4826353.148822832,6649236.626004194,5069876.904042616,6637908.595101565,6699417.10245566,7164914.529602001,4921729.782871847,5092540.871807141,6215417.127324806]
["Com_3317_pos","3,14-dihydro-15-keto-tetranor Prostaglandin E2","--","C16 H26 O5",280.16731,5.776,281.17459,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Cyclopentanols",9583839.735360188,11143282.83805369,8244200.534682569,7568272.0493072,8661674.807131307,8730679.550018292,11258179.26743653,5925555.006766244,8291463.631204931,11743942.7831428,8295943.18280079,7163856.819784885,8901005.925999273,7684175.62075164,10976488.01987087,9206806.122774832,9861779.345136931,6335375.815725869,9488735.908926426,11105001.64397511,9770112.055955702,8363972.228232447,10755581.22849308,9628795.615370683,11173810.12463926,9141206.06576358,8720684.26902135,7773070.881498043,7060782.811984036,10270365.68243901,7316845.798301064,12880416.28536766,7923214.475524922,7082705.460291274,7519149.312582474,9155752.938015897,6098053.452216734,7588291.294445581,8860251.172912026,9192956.649247725,8553405.211850885,10625549.09446901,11397790.24029474,10583431.94375696,9741517.479136238,9198835.672968855,14984618.17638641,7859555.221444237,8805419.303271206,9046444.62670016,17475880.92101858,11355582.98378707,18106196.87246136,10036436.91773606,14573604.25943259,9206173.051132146,10511384.91109984,6618219.090316539,11272702.7685488,9882932.943225477,9198693.605292777,9457533.096598856,9352464.607892891,9176649.05343377,8114074.056442166,8867604.171697026,9511747.909619162,10088350.25813695,12081509.0920059,11462910.63559364,10441635.34595776]
["Com_3415_pos","mesaconic acid","Mesaconate; 2-Methylfumarate; Mesaconic acid; Methylfumaric acid; (E)-2-Methyl-2-butenedioic acid","C5 H6 O4",130.02668,2.016,131.03394,"cpd:C01732","map00630  Glyoxylate and dicarboxylate metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism","HMDB0000749","LMFA01170116","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",3734879.183520742,2955891.296079079,3135165.780048988,2921307.16054183,2833476.587304479,3465365.739552141,3142802.849623028,2795688.922474853,2871931.63742936,3335773.83446068,2712217.622450544,3895359.317755709,4686577.119866429,3152492.007270359,4238432.118355212,2922068.353162324,3081633.077233577,4055763.945809459,2578633.448111546,3116835.037879823,4183824.299383095,3039768.596686316,6215342.054787845,2834853.91128009,3164931.309628421,3508659.759336402,3120980.219921493,5251440.173338163,3371032.45299477,4771039.258705936,3360296.086234059,3798392.623547456,4199283.433413223,5582805.307113607,3103332.307302016,6128730.464404991,3548141.053407668,3398771.052695261,5417703.135628788,4580517.997521569,3480617.31479072,3196752.644195891,2792879.761830905,4490407.124735686,2914787.191641543,3470675.967937,3425535.342911887,3581257.769040033,3416718.124107716,3202127.421086746,3673536.206363169,2887993.931746217,3468079.612558199,4625229.448934599,5551088.787864031,2943874.529276592,5741726.661163629,4336904.437133572,8696603.14829169,7890561.657975815,8668256.681685964,8353692.208564035,7834398.82453525,9251901.327762775,8524325.396379897,9555616.643087707,7967993.360867727,8424691.874094017,8508006.89158857,7941179.043636935,8972846.491687443]
["Com_3503_pos","PC (14:1e/2:0)","--","C24 H48 N O7 P",493.31608,8.615,494.32367,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",6260456.80980907,13431347.82776196,12365807.05595379,11180933.45022446,12114878.87079029,14072294.32981909,24704459.22793669,10654129.31743166,15307913.48390427,28412748.10251509,25679577.2355267,23822813.11205389,21891128.40134479,12321165.56960182,13178468.44093907,8754786.158815186,10281820.44903002,14568109.12454445,25326491.5153117,17714448.19536169,22848031.94898128,9977812.640241647,19075117.83106733,10640826.59723332,16809527.96794597,20415021.30093577,24808411.76016412,17611211.21624896,27639437.9736012,18208284.6193344,7005764.854982688,9579653.954582583,9352650.367503917,11388008.93458922,3756128.486902873,14083727.12070218,6198192.448030001,18883230.88665848,12031157.59097136,53059800.37662846,32626998.69526067,4833442.870499455,11034717.93911154,9189786.869430618,4512986.44817076,5423730.726071472,3750291.45844645,9614892.964555392,9131773.032567397,7203028.356980557,6927139.922370193,6594967.799901783,3280267.020100593,4130485.608240765,5982627.430495021,12809219.86353407,5094948.937933647,7899789.679027416,17356362.9591199,11718294.14641238,10567692.98556961,11892949.87369799,11799410.77609987,8059879.388979514,10236210.73373199,8040545.122459883,9993014.408924667,6736051.328948344,9394250.545805097,5848843.063135907,7453249.173695214]
["Com_3527_pos","ACar 20:4","--","C27 H46 N O4",447.33412,7.118,448.34137,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",40709295.25409972,66164202.22330283,47549419.2502787,56469242.3823478,37130269.35532705,51523495.62230211,21716290.63626648,36221559.24613732,39699167.68305234,37695867.791615,30526253.7701957,40701891.23062708,19402763.49884865,26994001.54346636,30382108.31674572,73788352.62699337,60828403.2421828,28130900.10440312,25665440.76748876,47597143.47777717,26603008.38271721,57174101.25226697,43727205.30646204,24149388.19755028,23769198.34096856,34310352.91680229,35303607.73382752,47638614.62019087,23523959.78449188,19465053.52570123,76105519.751019,50571499.36560517,58446629.68554483,79134853.53561585,40987907.99857714,41573140.50500967,63069512.22435069,69804668.54743187,51169102.65665108,31814272.08637753,39332914.26478576,56138964.3926148,56692037.95134283,37963092.60128111,72044150.16707975,38273211.63414889,31591172.9756248,56681184.83740626,60514723.97727665,48034948.00400577,53287781.47361272,30339324.12503343,48045771.42377462,38069278.0770288,42644156.64906793,50735012.23537205,25203466.14968825,55906852.69536881,41728439.9577401,31020352.3816058,35726207.77633148,31480233.5305225,33070698.24814596,23825137.39758381,25074847.57429769,21836032.77965449,24526596.02296569,20921188.40442389,22951460.32739754,29027790.32052136,23058523.13624384]
["Com_3566_pos","ethyl 2-{[(1-methyl-3-propyl-1H-pyrazol-4-yl)carbonyl]amino}acetate","--","C12 H19 N3 O3",253.14278,5.199,254.15007,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},539710.5587434262,528121.3373904438,488154.4739321711,498144.0857850313,481953.490776025,452819.1009365827,480422.1939173666,519901.5758577532,522940.4128242601,430984.3523010056,462104.4331410645,481124.2613932239,484110.3720657222,491061.686312171,538072.4251956217,485928.6366552222,464148.714597942,351103.5160480793,448041.5605077867,627999.0418113817,562539.4432101873,447603.8246957905,449075.4972454975,544412.0323694607,512095.3389976607,555393.5675354383,525258.5354974492,3154720.187110491,483836.6659360845,462210.6087323743,831877.3757921429,521460.2325774163,515161.6710916277,481389.6901157692,498374.2979782047,650816.0299985306,457545.016931512,506796.354261059,1082062.765948254,360499.8902218281,555844.5114419514,509647.1008724016,600381.7279432007,459857.1267171519,508286.0662566371,533189.8940005782,532823.9760721683,455622.5754309372,468054.8328986917,463972.7877362326,426069.1052828521,398909.1077497803,485589.8223456082,526312.9863976307,493097.9169050322,477512.789028458,455370.4071025561,467920.3566996392,6162816.53739257,6638692.151981288,6427658.979338805,5728225.755348976,5665572.57322668,6562886.505701138,5732930.021601571,6625036.834463951,6050273.463175182,6272549.965004123,6197983.550083976,6387519.358960279,5787030.879154299]
["Com_3632_pos","Hecogenin","Hecogenin","C27 H42 O4",430.3075,6.447,431.31494,"cpd:C08902","--","HMDB0038824","LMST01080014","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Sterol Lipids [ST]","Sterols [ST01]","Spirostanols and derivatives [ST0108]","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",3692125.016087327,1757351.94533687,1846275.171469534,1434453.294831476,2000002.125104508,1434769.095074109,1173253.137052723,1367950.454592185,3351237.875510631,1281325.955655016,1187959.330277714,1155191.11283538,1611893.622162309,1366457.78402809,1861798.403034899,1726835.163360007,1452713.177869415,2080275.702995209,1209707.838467497,1508827.770240796,1271625.232913882,1491753.609819767,2217186.515376355,1547942.327336128,1294732.61474985,1254255.111705942,1846803.975896545,1567339.717831493,1326940.728149036,1344386.41733174,1685246.147218056,1820741.706219904,1591150.019795366,1621143.678449303,1715134.951489487,1902538.802882209,1939768.548568044,1721570.018886341,2187806.695878828,1247510.626115067,1809537.744712907,2449126.976494331,1423205.636495854,2050145.326331124,1472502.90533316,1967887.751172554,1588788.565838062,1498745.330787977,1614728.812798991,1643324.903477521,1350817.01721594,1518883.928941513,1177639.884968423,2448862.965549408,1492077.496692366,1695941.067959009,1755044.882060565,1516697.065557841,12496862.6798686,14732904.53179501,10785090.11479504,11422719.91422401,9639037.728099223,8531877.996070435,12511544.35174498,11542747.83567286,9015120.613436537,11632985.26814659,10295867.24563628,10994939.69004714,11010568.56750906]
["Com_3743_pos","KMH","--","C17 H30 N6 O4 S",828.4224,5.153,415.21848,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2307327.311396041,3970551.554609335,3822674.541950877,6482973.0987335,3434134.779685051,4533899.794145925,3461116.331995474,5343509.845099577,2674730.034495893,5240832.227956036,3399996.543724424,4318985.427622984,4566198.480698554,3352186.5068657,4276415.161807383,1228018.662522913,1907002.291930713,2732228.237509265,5003991.424547599,4331859.495606356,2372583.966750456,1307598.085810569,1093546.025845471,3934339.35461962,2976480.102626999,1995578.928230233,3708670.910887503,2298845.441279689,1910020.971147714,1818455.548445138,1308640.958470764,1312585.815489496,1221038.340250173,1982171.079764894,1877907.189948828,1088814.764959449,1169822.82883121,2570366.659851469,1958319.595673161,2722556.101358128,3243689.154336921,1631217.610453859,1582023.859392118,5120171.335219058,1412994.685067388,1616914.582054378,2300355.218509425,1625306.82788678,2433919.713253841,1658532.59766189,2126054.226824399,1882117.666363974,1580076.530427558,1443583.127902119,1314922.623308742,2519611.913472169,3350815.257026868,2269408.698030544,5878097.54823629,4868144.199474328,4819138.218957845,4984401.211578307,5250263.011042647,4717542.627348453,4346000.712902274,5116062.690991406,4899149.732131228,4560234.216314645,7413422.983781142,5878857.421878505,5688628.781872708]
["Com_3746_pos","AMK","--","C14 H28 N4 O4 S",330.17941,4.796,331.18671,"--","--","HMDB0062497","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","Invalid mass","No results","No results",{"$nulls":4},7619226.352075985,7957494.981471261,9046255.052274773,9975729.589413827,7874400.26503987,9137934.335737685,8511234.406481246,7514887.37110842,8935803.303076439,11090450.1030539,7807575.172794829,10010064.15610974,7153569.191085038,6522893.690411701,10159017.71378593,6442077.594286326,9438937.558983808,7488484.03318261,8874274.14066526,7650986.10664108,6732808.207645128,13515395.61076845,8851107.926108617,8415639.6689806,6873924.638837326,5174961.271829047,14877787.30087053,7878128.333217387,7419262.044624028,6095653.958442734,8078705.555693517,10978778.19482076,6036778.566052849,11668655.38866907,9487381.527419329,9744562.744967742,6922912.739421673,7792328.817936599,12410163.57030312,10185586.84391631,7134089.259628603,14702759.63364654,10416790.77792617,11065736.69746037,11059803.71874406,9963340.447686369,5647549.500061026,7240068.115145082,10908018.87005199,10814719.01552079,7183508.895142005,6780983.432395815,10963121.6670305,14128353.72504902,11607343.63890444,6525848.865202452,11928992.58906738,11888303.07661291,10713595.6850832,11917872.90633994,9443985.026993262,12421395.01712892,10535340.29647138,10525020.68786024,11845469.9532335,10238621.6328799,10143908.01073482,11024711.38181255,12790600.31704209,11925999.41649556,11392230.29804041]
["Com_3817_pos","2,3-Dinor-8-epi-prostaglandin F2α","--","C18 H30 O5",348.19362,5.608,349.20081,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",4794627.830950637,4889547.195022775,3672737.438497893,3906397.622720524,3390243.344771738,3146893.883395707,3309724.607649204,3482034.257163846,3602437.805115235,4325961.797338521,3745033.1092535,4854300.573552035,4759960.215911933,3840244.429830048,3582213.514035794,3852578.769354536,4121135.917576581,3998539.457527373,4276223.382362773,5444704.724828694,3693340.176642145,4388879.948494419,6162653.969231234,3625844.858276607,4156857.731056291,4200622.697118022,4800698.55263789,3778399.917734517,4900571.117705379,4447251.868694793,4774951.974094777,4804879.861212397,5399358.417566059,4170862.723142731,3850723.866673566,6531894.429091289,4050903.841399292,3995541.99788259,4098120.503401321,3626897.208580691,4324178.158741438,3885317.87633399,5039423.439210697,3935580.020924924,4654020.061524668,3683893.696519692,5501193.046107889,3981905.643545025,4737981.101208337,5156911.069921907,6415792.078627495,5173995.277643085,6647195.35418056,5714653.095863614,5350300.519172316,4486860.113503243,4361083.181674968,4032518.977415997,3675249.7913621,4299869.086932048,3845693.999830965,3444300.452921931,3430816.021134513,3326726.885474761,4447719.482687768,5153095.422273067,4822780.981170707,3653322.499778552,4397404.353713806,4574269.430381146,4440405.004003933]
["Com_3842_pos","1-Acetylimidazole","--","C5 H6 N2 O",110.04803,1.333,111.05517,"--","--","HMDB0243814","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Azoles","Imidazoles","Carbonylimidazoles",9533822.932230506,21067923.25912413,12381391.43586074,11304096.57988623,12012724.02459292,12484873.34766892,10094152.42949898,15378657.7298274,7263535.76933257,5426085.677963052,7005103.399307726,15060962.44211938,5770520.140308758,8620019.947729971,8942011.19405503,9280669.919912891,16076117.44560899,11365765.98326954,14223924.60945091,9748589.876256827,10821891.45287102,13613196.84292498,12328575.02398289,13840127.86364155,11095998.73526378,16767766.11779176,13064512.2837778,20715062.66461074,7395733.572693351,13722713.35307778,17782268.99451134,15447329.41363073,20164355.65233112,16443878.75347891,26275222.46149849,14720355.15524349,17611085.70636417,18120649.83451476,17743706.48357009,14832325.49146358,17047982.36557378,7874206.583126085,20021714.40178845,10835305.6082126,22049146.8743148,13833637.82924985,19010690.88114007,20588520.14301535,24724068.58384034,20798441.17579315,26835309.79050732,15698968.36110267,18690489.40707803,16568132.7375667,19607709.0856242,27234809.01103293,13778726.12822544,18040191.77929826,21285584.0526614,23235333.51178233,23700783.57384364,23471212.61552701,23771697.2533268,28119237.28969492,22664874.30739634,24495613.74828005,21758184.33564318,23877551.58918668,34458845.88247704,25821390.81736884,20486687.38067429]
["Com_3991_pos","4-(acetylamino)phenyl 3-chlorobenzoate","--","C15 H12 Cl N O3",311.03077,1.563,312.03812,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1515923.416729413,1729675.142800429,1585473.145656443,1564498.787632652,1476194.780882928,1409157.759981701,1379615.818516388,1477430.625653156,1420940.832786753,1722737.299240544,1480025.620592663,1565395.692960133,1713764.021357727,1534380.667939864,1486871.599038189,1365906.170969947,1693061.41824427,1423925.90175597,1336570.9760305,1517421.350546261,1703403.246147407,1506404.015318538,1560800.82643818,1309074.701798656,1393452.100272264,1345824.005848883,1434511.546169916,1530893.453125176,1287630.997260763,1625027.453471648,1554724.515804471,1378681.944982115,1448638.684375195,1528712.142822584,1349786.535134703,1439590.515388326,1524558.652723624,1397082.898740818,1429192.357212612,1545474.210324099,1760062.411484343,1648187.261980646,1459961.171115468,1607270.085205887,1466761.178585637,1312276.628135731,1435098.11347877,1562779.12580097,1761370.01179313,1463764.932261134,1641755.488698839,1545216.066147351,1505728.733217032,1491600.821770241,1328550.323334339,1532729.648068177,1669132.641044708,1406267.233395403,2710709.60223966,3548660.22842988,2975067.759768686,3224263.834607585,2731020.050856186,2750837.002437809,2681325.102421041,2946295.836986423,2686121.962340373,3396517.825125397,2085988.058547047,2517021.214151047,2906303.530368772]
["Com_4004_pos","GKK","--","C14 H29 N5 O4",165.6109,1.033,166.61818,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},5371594.935637823,6249715.910455788,4057570.967376844,4917964.955835571,4031009.516419918,5623764.710427242,4012251.376511009,5432399.554685475,5318546.974322896,3185489.490181765,4626600.497581312,5414968.419828604,3649476.317178061,5558889.977652879,6386604.537437199,6547651.269834969,4117655.663843461,3388192.349254189,6300858.99827714,5474245.00001711,3236733.617035599,4217341.119251824,1485655.616725022,3657698.75813811,4966194.905598803,6653731.47305984,4304365.628791275,2935672.485357434,5399765.540373374,6581955.410281762,4264052.169846018,8538799.371537985,3716735.528501042,3504254.023144394,6772773.328502826,2934476.320816514,7080963.375750568,6595658.089504712,3662700.869969708,4444182.159059989,4927295.873773201,3708910.60752292,5200151.918753516,4268460.779881351,6480683.508042567,4879485.81577406,4457362.66691104,7610786.155756487,6636007.005239709,2259541.450219636,5331126.015437154,3873576.854514186,5538332.634317767,12595631.90531917,5161115.844445278,6665999.822079265,4168043.398039912,6859762.89543064,6881794.09256277,6579731.801295067,7752322.898408526,7913549.242999982,6903143.223041994,7776184.649331775,7330703.561917549,7629405.652535971,6223462.908581504,8154014.045388229,6487976.526484259,7317391.088941433,8202332.955278426]
["Com_4023_pos","Prostaglandin E2-1-glyceryl ester","--","C23 H38 O7",443.28821,5.799,444.29559,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2190269.31707606,2718768.985860646,2438553.990495017,1761607.888392128,2562038.802482075,2582449.73140383,3020146.743475654,1752721.291392496,2452533.952790075,2659922.09122632,2453858.960396787,1766212.252259628,2632830.609705815,2272904.091163031,2748389.224780146,2723283.320918268,2917018.002448547,1873942.283636937,2365581.477567222,2892734.196755239,2710067.75090488,2382359.092103254,2076285.590381093,2336231.608369122,3305103.89137712,1477088.434657183,2579493.224916813,1820646.006659071,2088510.587502983,1983316.636908797,2164251.517684702,2596631.762123837,2343609.449522342,2094995.092736317,1143462.85296337,2427434.896215586,1803744.646627236,1761467.838203384,2144473.364291611,2719186.781927774,1974897.587713916,3142933.633954338,3371355.021796052,3110082.335705192,2591405.922551084,2501505.269581939,3473136.564145764,2324779.663975842,2604557.020373425,1724240.371316423,3676284.586858085,2915385.684889203,2881866.514005031,2968680.006403935,2392802.507653234,1752909.688776823,1766058.731832068,1714078.760561536,2052603.18790078,2502058.153016492,2335044.281355446,2272067.557127646,2331155.684718722,2399523.641346637,2368989.469579904,2138439.499337958,2557259.88980454,2059533.230274512,3087493.38940264,1405268.643079878,2638500.988599625]
["Com_4091_pos","3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","--","C18 H27 N O4",321.19438,5.2,322.20178,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},954362.550531709,901314.9281577888,866208.9247985075,872911.0574721011,684728.9155606906,741017.005807899,756423.4798364429,808134.5553080539,823175.7728447958,826250.0822908278,840087.0061762937,830805.179701536,796603.8580060593,881772.3020096751,752153.6118264188,688451.8062419457,670342.3880759262,651397.2376485559,742601.9975565919,893342.9644747516,876662.5564276524,722916.4194238707,705563.9166141828,721842.1084456039,812499.7143528274,736402.6508782859,819455.6992391591,777339.9116299736,641524.540819804,722565.1214404849,818992.2293080629,769827.2345132418,683058.7215948551,780317.2634975857,955097.6130196668,758975.8778445268,719306.6032874819,693421.9903953138,661503.1721526603,547616.6785481328,845459.2629114683,800095.8535517567,852283.3133295742,679303.3985080784,697299.4788256555,706962.5474884249,706477.3727434586,715719.4071119034,964085.0422188176,676025.3137163491,578903.667544913,672788.1658425294,751021.0949607417,754338.5807266363,767002.6036717577,823053.3876807049,692266.1710462086,620420.9252955401,2618393.56795169,3889359.228063803,2117299.738257089,2436992.271446975,2505405.888646492,2719871.497771665,2475163.753972889,2577291.67501767,2544998.835544314,2922811.160426417,2999648.577512075,2685336.555930221,2730619.785250781]
["Com_4140_pos","4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione","--","C14 H14 N2 O3",258.10059,4.948,259.10782,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},410805.4681019952,497095.564793065,438556.1815715179,464778.3578699049,436490.3504132493,450103.5090644973,483641.0516725571,545768.9073053101,385253.6067765677,476002.9424088525,452325.648011327,540454.6584835275,446942.9182921081,516369.456437783,450639.7011893965,381540.6141380658,296431.5076020803,334485.7928390606,471682.0554212486,573135.9131738386,449722.4925007575,394954.5793196184,356413.5294985616,420867.4216509236,356238.4075967814,414592.5605995402,337317.5056585795,371103.5929821052,368616.2887815989,303532.4985089187,414017.8988562203,354801.7337734837,298909.05216834,378884.447674541,431250.2120198107,299519.4578877152,347486.5528882793,497451.3132491647,403949.9955731587,323582.8664631769,466985.7171658736,420603.0752454721,464780.060788966,413380.3604820763,281877.2712603288,391829.7780989403,340822.9320738537,336105.7383842623,437084.7767029945,339258.2744239756,403605.4760557098,321930.4618365416,345081.3389427644,338944.2583950335,307040.2487187896,382425.3837110994,295337.6829049928,387511.5662263944,1561105.83008426,1847253.936839889,1785316.381781635,1764811.500618176,2210198.155891276,1988515.680468334,1177426.809387278,1429921.932180966,1406990.870581066,1873695.470292233,2398474.718238514,1811816.941871332,1290530.935723368]
["Com_4163_pos","[5-(2-thienyl)-3-isoxazolyl]methanol","--","C8 H7 N O2 S",181.01969,1.417,182.02693,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1731077.626166974,1964554.127453436,1612138.708562763,1606187.676323044,1465960.562154734,1460028.134695184,1556486.881843251,1602511.066192177,1693373.835590393,1581241.515871825,1601507.740200066,1622100.946252757,1594494.432213679,1565561.397756689,1484209.489298923,1560725.887099162,1929547.764067694,1629139.73218884,1486157.367898165,1619937.494669848,1726158.99000081,1855414.160377656,1554030.494815061,1756033.600683347,1639230.627240271,1367733.045389316,1499986.403961919,1678111.645288354,1472136.91261176,1883763.699051544,1751990.59968222,1871047.8784698,1834101.464198488,2050466.588730822,1506694.213627282,1634255.706199053,1672965.181848151,1730387.126562256,1454977.275748306,1759404.139952807,1960336.978776688,1942543.91999705,1752053.840269131,1724822.0398926,1749253.197169524,1495192.536485459,1636986.963652051,1586818.943552561,1832240.130834732,1766888.763942182,1912038.288218067,1783243.502960236,1640046.453715776,1698896.877211494,1774038.691447975,1962781.753773232,1556654.199549816,1631889.554537539,4582327.63946333,4499229.21345392,5323667.261344117,5249806.074624233,5029815.150630042,5782590.630677659,5148957.836833484,4555637.478968349,4402179.630664774,5049457.955954408,5462104.230441285,5566224.936249521,5552215.844223312]
["Com_4219_pos","N-Acetylglucosamine 1-phosphate","--","C8 H16 N O9 P",301.05592,1.527,302.06329,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},16262188.10856988,33229304.6845779,24695299.24081198,28607804.5084036,20591324.47260766,22182728.48430225,24132697.45260392,22326532.74617014,25325022.91115178,13310166.04325172,23918344.17853165,24444236.22749176,20076489.93854933,19406216.82375518,21513790.35427343,35935514.10257462,56555204.01207814,22780740.07764209,37421552.61415684,21986711.01261556,22614845.36592514,50479987.79116379,48631902.73763071,23608777.42045954,28135016.11908787,24390904.93346586,24030897.56449073,49720315.89993337,25288985.69274188,34735173.83107588,28501681.49738773,22589479.44520049,33155393.65467482,35647302.22102332,27246598.47360482,30638826.28257949,31166485.7904865,27422707.84372131,35382262.89426579,26814183.34463698,21262797.50569732,32903108.98854798,25989275.06518887,30733491.0552516,45471067.50278762,34284863.77428271,26803631.01636395,51173369.48065766,35789973.3129001,40630305.56458151,38816432.52734271,26457357.3593564,50007469.23017044,30612914.45386817,48954113.22723711,41352347.74795256,35096606.62728585,48371822.79008687,16951323.9422148,18207703.91542097,21158095.34423769,18985766.78202296,21071845.17829113,22915675.61472402,20858887.53978807,20588812.32460621,20724658.08326717,20127038.42915732,20301555.18668498,19127985.15473124,21620908.56041532]
["Com_4374_pos","PB-22 N-(4-Hydroxypentyl)-3-carboxyindole metabolite","--","C14 H17 N O3",247.12065,5.962,248.12794,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Organoheterocyclic compounds","Indoles and derivatives","Indolecarboxylic acids and derivatives","Indolecarboxylic acids and derivatives",570295.3356067085,499380.0448628831,441214.3159166953,450087.8323210545,676205.1396518564,361562.0949830552,496125.739179421,763804.1697147998,405100.1397503122,386628.4308149739,381139.6913281188,382981.7867172028,411664.7309503335,450122.9924511634,558438.8215667853,510709.506487837,477029.2255456136,423418.3400591224,447171.1704191816,556587.6874088477,466794.944259063,592913.5690103663,647475.1366340772,609854.7883225066,444647.5081751736,384736.0405300569,470947.6339925426,2083028.193709501,414672.9182430393,505851.2229081658,486958.5358939287,615189.6377061534,497406.4183847355,430910.3161509559,465155.0642270247,650595.5211886164,423629.4585888246,550946.6353965035,541680.3867090495,427075.29070773,487253.29075257,518267.2995627178,497389.3411324057,453338.4674077161,495722.5750458012,398873.0669831685,669984.0703031354,545339.1332279856,522509.1591113392,536332.7969231845,827000.2474621816,512276.875858127,750342.9384486293,582375.2140980306,661554.7113500088,577170.5156499434,570699.9832109151,494337.0143264882,4617397.53240309,4698352.57787078,3283176.101243004,4193716.107126766,4933449.815773014,4342129.997466019,4865603.691127465,7350784.569073589,4990957.911310516,4454655.544903994,6050250.221921262,4954025.96296989,5354558.164761272]
["Com_4489_pos","PC (14:0e/3:0)","--","C25 H52 N O7 P",509.34742,9.915,510.35468,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",1953394.011454516,1864395.529610729,3925355.954553327,2012352.0100433,4769759.050262333,4670041.187131772,332133.868136132,2717751.868328974,2389743.116706131,2950103.962655544,4581477.222378292,4007458.90696494,1566344.304048695,1784142.017533883,2742737.830742325,2122614.80195171,1021976.670290931,1902836.582810063,2161072.62431219,2431390.059951168,2772689.140358503,938596.9705861732,3084523.165912864,1760220.254327798,2320920.904352556,5228615.039661487,3205411.618779213,1400244.004510578,1772272.533957474,1772854.057325814,2387908.827579974,1041729.326463435,1217749.44330009,1753242.765291709,1411440.34687986,794758.7161628475,2630218.944654599,5115648.374461687,2153744.578014927,1602892.847992469,4664243.189642105,2479078.266852434,2326772.5969208,2948578.800027987,2536357.020513283,1639485.827657656,1055614.182701888,1262840.837724204,1124957.286998879,1156429.326611068,639747.9226985537,1091623.335994088,375027.5122475303,596967.2281005327,426004.6748741966,3762822.625764247,2289824.161222199,848271.8066761647,13470187.6304002,13194037.8138463,11568986.17349729,10994845.46793515,15584390.74956577,12083251.75801927,10436912.27616301,8973619.829894716,7515942.805213328,10138652.61748816,10208651.75576378,6543875.999779905,7212248.844908643]
["Com_4491_pos","LNH","--","C16 H26 N6 O5",365.17035,5.087,366.17746,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match",{"$nulls":4},740898.2678048345,527094.276455562,574206.0012591359,612196.9764108112,525805.7825380065,482004.2984349141,507455.8326945619,567619.894819217,530607.7463033132,560994.2322494125,597716.5471804399,463726.3619694507,452049.7309386614,343093.9424647213,530284.9931357345,409535.6178650309,499356.2432444413,460978.3792123803,515765.9696198418,532647.4622028432,505301.1117941134,586731.7119315554,473126.3070551597,537745.0929752168,568212.9670093264,523224.3377826703,405032.8514431957,609453.8991370118,318646.6867465907,380503.4753448243,557373.4172815175,507226.4746707801,467569.2263920089,400128.261120797,511835.4167129772,428177.5406012955,412582.652961256,401954.5720378963,408330.8274407217,421842.8640631989,584468.4082043492,487725.8859556761,533623.4017250062,557760.6764409159,388878.7129137727,442304.5414123549,492186.950959836,441708.9199512848,492771.8820680789,564318.5868179795,501783.1719833542,547225.9267460994,500227.7908880536,560251.3968833407,596494.4090464695,534803.8817830151,376693.3968261215,432421.3339638057,2317797.01435115,3026599.911121959,2770583.034164622,2371922.692471172,2827476.179737302,2436156.457947085,2603195.532675252,2748419.258726061,2360705.830474946,3309680.670616362,2669231.78058962,2596788.516639005,3019696.873292456]
["Com_4544_pos","Cyclocytidine","Ancitabin hydrochloride; Cyclocytidine","C9 H11 N3 O4",225.07434,1.319,226.08218,"cpd:C13112","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Ethers","Alkyl aryl ethers",4081480.69521859,5886266.087148267,4517088.082912477,4795448.404333144,4545897.658786118,4332545.89740108,4042177.223980513,4890933.435636633,5082197.039970388,23156869.18784963,9772209.23051864,4556992.275366019,10004056.75053902,4237660.441080881,5536494.185958076,4559090.412905561,4471135.412902966,9554177.513909116,3887726.556120068,4508016.734834254,9171881.903386254,4490748.464857864,3949429.054569151,4586537.050970709,4195526.395610422,7060511.216494195,4229269.328923266,3683064.306385549,5507254.283129759,6413527.859327124,4971599.575346396,5125400.540489684,5042996.625753021,6391921.947583926,4698593.498107864,5931263.240542516,5432032.844557035,4858812.227898872,5506532.63794381,6326903.134581953,5323599.335503394,4822652.775590062,4424835.065380037,5109258.817501396,5338322.419944717,4231448.884156786,4988731.741026748,5800070.203616831,4901962.60767354,5232298.916671191,5225293.255847173,5107801.737466488,4901306.766759103,4875237.830414413,14483113.75031059,5313213.890661903,5586053.172103098,5561981.593686063,8142333.05927528,7252179.940272415,7748984.856431735,7047412.471055648,7340059.252646166,8347291.100693402,8015152.735929402,6752704.17224649,6833124.039405547,7677460.061200407,8168590.960079978,7956227.966419611,7896629.546057166]
["Com_4611_pos","5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol","--","C26 H36 O4",412.25805,7.772,413.26541,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},84264.78093055006,63651.91767349392,71672.51039649887,72207.66361310637,59521.04702479445,56126.48170440903,105241.3588742406,66905.65529085475,130440.7326564769,92751.99852289652,63882.15683687122,83627.89978638603,91256.7304465448,62949.82836852963,160411.2547574418,78426.94248405889,94140.66504527422,80666.91484184936,68713.50234386473,95853.70695108194,79748.22777218373,75706.77553843225,59613.48409029413,74250.01202747959,77981.14202163748,74541.66583434265,44584.00742115785,65737.6308140242,52886.89683628277,72654.08900254894,101323.5684973276,80758.1605056157,64710.10234644379,94520.49074143622,45446.48857721058,71056.4459952968,66521.71995287671,60576.98294888955,362840.5909439101,112052.6918777238,87772.02819819693,103927.6344195391,124355.4294196825,67916.70276120814,63832.19557483751,85987.88024888313,93710.5748818417,91824.1362218466,103973.6686303439,81366.09707594576,90567.64593024748,182235.243819282,93068.89481698224,75302.70426939579,97971.15206732592,126140.0123815993,128888.1621372736,124184.5041810245,7853837.04984525,7149200.690200153,8940831.97157766,11216169.70327348,13826627.6353811,10623460.17459026,11005541.05156459,8793891.733161043,10333310.45072473,9470328.234546838,9995176.93053701,11410707.09646401,9903655.758659575]
["Com_4806_pos","7,8-Dihydrobiopterin","7,8-Dihydrobiopterin; L-erythro-7,8-Dihydrobiopterin","C9 H13 N5 O3",239.10163,2.261,240.10883,"cpd:C02953","map00790  Folate biosynthesis","HMDB0247294","--","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","Biopterins and derivatives",34212366.9842984,13791563.14182039,17572365.90359391,17906449.6206741,16613025.57106848,20428243.53921746,5221048.93556029,15136382.00894582,24658781.43478949,18278629.28434522,16938915.97368412,19315839.96523397,23387858.6310204,24256125.95833605,22966667.94975921,26491697.25158613,20012905.40233985,24466780.33483275,29930004.44489712,10606621.2453549,23171286.42862613,10669601.46042954,8211894.160656708,18449065.8404016,18103291.35182735,18506171.41848597,15345410.16414077,21560046.36318259,17663483.33084685,14482284.02618296,15053460.72890864,14608625.93894808,20904397.69543543,27127011.16596839,32236541.89584472,30581648.04584748,26449818.59325265,44232918.52679987,36019197.44962198,25340817.87807512,12684645.53087045,17996848.53289968,15786607.11650625,11339155.63247713,17014628.91098916,29484927.56172974,6406134.66377129,17985413.23118744,12370635.89649577,15351775.35124734,23037317.66154296,16540354.27381516,12701839.79675993,21008592.65174209,18008908.89609211,11072381.20778791,38137318.08198205,5459881.663213112,18099163.4386294,15002867.55232947,15215331.10935372,12849202.57784022,13631109.8106989,12960051.28157262,13709908.85003033,11113713.7376289,13040125.45113928,11441263.19892704,11411289.03557796,10900523.46308856,12940741.09941717]
["Com_4917_pos","Ethyl sorbate","--","C8 H12 O2",140.08126,1.198,141.08847,"--","--","HMDB0040463","LMFA07010882","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Short fatty esters [FA0710]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty acid esters",29920336.65462972,15047013.19947414,10916960.47246468,18175489.27173249,12129440.45242277,12110785.85534215,8699269.360284902,9989818.26538441,11198344.82956357,13673353.24805857,11731372.92875936,13821681.70325271,11019296.66156951,15753480.98706482,11275244.41517533,16721394.89551666,12171559.60785132,11554895.90819102,12206338.11759513,8898427.288499136,14738837.93809628,15942147.887678,18859028.2215627,14764477.79254286,13723105.59486172,12033341.4367077,7950472.303069051,10758874.25460479,13586275.00198019,7902730.6323142,23104476.58513902,20359087.09163707,19481963.3941552,22032415.87139085,24765948.90869816,33259395.70500252,13391256.77946389,12829797.22024733,14991756.97096688,11188480.5577909,24839613.71833331,15437514.42723127,24794968.11881664,14121855.86839445,16907140.76512541,20606360.2854462,20441862.6687875,14317789.7286815,23880994.03745668,25678870.72893891,32977867.84373636,27475510.40924016,14431447.70499386,32032361.41429862,25560176.29607705,23933087.64471174,17679459.72642535,13495659.47744632,23733625.5768064,25261285.00563894,22279970.67606442,10637655.68009127,20777553.34567337,10796917.12148154,17522039.20489445,20096354.56260244,15283823.19658833,16368511.68103944,19070155.27225355,15786566.90579757,15334109.60898192]
["Com_5024_pos","Bilirubin","Bilirubin","C33 H36 N4 O6",584.26344,5.885,585.27075,"cpd:C00486","map00860  Porphyrin and chlorophyll metabolism;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000054","--","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","Bilirubins",2415430.41063001,1640222.621095758,1577035.456745967,2255769.938540578,1110078.353658955,1442058.689796772,1369944.663318739,1036982.65952886,1214048.536583939,1160557.503284139,1238982.83496496,1489135.491944184,1101991.68619956,1615187.649843692,1143812.422520828,1402645.151510464,1712083.935090824,1167492.835328147,1366388.322739917,2249874.236242481,1255175.216747109,1623544.97751823,2100927.556935493,1513242.713978859,1399602.157783857,1121764.132197572,1343611.291582577,1341033.486673047,1151877.425187745,2334857.474272456,1466075.959003051,3126471.360663461,1708622.503251293,1298569.188627557,2003710.640043539,2186907.198259512,1928003.912480438,1387799.689592703,1477043.795846556,1614396.823082377,1602341.177028036,1912981.311601623,2446187.081465772,1647870.295806303,2377889.016707313,1182965.736886188,3032319.611446014,2177894.403664127,1574760.709694375,1660600.596504147,3156810.592332122,2456448.452135189,3996040.514562801,1673604.772293551,2611776.182209508,1351326.613508258,1258263.30070842,1573970.296948134,2814036.04026278,3583962.248315606,2734539.572957408,2114451.736042441,2473151.685573644,2430951.825107135,2070259.934138405,2995056.769041362,2749426.759454656,1501423.944905472,4067603.052765328,1903082.394080336,1784397.328125569]
["Com_5180_pos","SQH","--","C14 H22 N6 O6",196.07224,5.348,393.15173,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1315732.201288089,1564890.149813863,1020567.980111812,1489930.629068096,1003963.006694347,1212095.692186583,1307693.061402287,1058939.587959551,948280.5749113162,1446335.61627705,948144.0982446345,1463466.086492105,1111179.441251551,1036335.605624777,1292575.059122788,974281.3878731702,1376049.813486944,1163117.899465244,963747.0618646684,1599492.807022521,1091801.58431297,1570466.610582784,1344601.767745489,1207417.184151866,1236633.809129173,1374257.618584256,1280292.851873077,1121508.71769182,910403.11717111,972607.5258504088,1595204.785799377,1218615.589087184,1485958.895237992,1364560.776819439,1566152.350868037,2409328.277000566,1475084.984694763,1111181.510070967,1209000.802387797,1614230.548829472,1013480.207596928,1534149.579836928,1889713.746493696,1473630.470557981,1385231.077368191,1473723.202967078,1697858.817405056,1590176.110130498,1307582.527518441,1556052.652301455,1566767.136267728,1381189.323884072,1985579.167390589,1217225.389763356,1523828.188463447,1331141.417521808,1568728.182110366,1197585.122808531,3175410.59081559,3058102.449294272,3112567.986691132,2732490.660014072,3363835.923889878,3249640.977998084,2538880.288751107,3199231.648489689,2936218.066850688,2291949.969231838,2536020.520275722,3079419.932250121,3381018.484242453]
["Com_5269_pos","Idebenone","--","C19 H30 O5",338.20879,6.568,339.21606,"--","--","HMDB0253376","--","-","-","-","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Quinone and hydroquinone lipids","Ubiquinones",5025276.609062226,356400.2428102721,440628.4792399177,1589948.571972897,912958.5776566988,545488.2760608301,330402.6068471984,308161.305117701,359264.7248133199,275095.4848728284,344292.642449934,363426.1906476234,412190.5055882244,476072.8024894144,274066.4139729071,943693.0828562584,323947.4442932073,951491.62783705,472545.5253141617,486474.0462300724,529277.3628771744,527813.6149146754,444053.3023700691,406851.0212624862,461711.7056344405,348901.8851564287,297829.2642618514,757939.9932340707,416904.8003013803,606537.3576879944,429625.9674569033,506265.6035481136,389344.666405561,638701.4391183329,377442.6462399996,803028.6892339282,317069.6777070918,1587748.973968982,447738.8531845107,2054215.888963423,2193073.917164877,732604.9111376901,580860.9558826492,404330.3330475939,2907555.118172042,730919.4717111549,3973384.936061418,332242.9545050276,444004.1684812204,676529.461464348,386279.6757736714,324113.872887085,334165.6388821864,477033.4327153721,312745.58815386,438421.5208455756,2115302.555439015,698429.7856201123,2230277.22345801,1615921.534016234,1469515.257176621,1523711.759409417,1679629.730050037,1838278.653316589,1630458.095200082,1964800.084067981,2101653.788114319,1875694.42624964,2358690.471520231,2144132.742299289,1742633.221882687]
["Com_5279_pos","1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one","--","C13 H12 N2 O2",228.09003,5.35,229.0972,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1352973.76828921,1609184.08843347,1049454.976092698,1532102.851724913,1032380.001842639,1246403.846146894,1344707.081972306,1088912.685506697,1036356.535137218,1487273.889815513,974981.1490722484,1351918.551907064,1142631.17859683,1065668.901454085,1329161.167314994,1001858.250055992,1414998.659821846,1196039.745674323,991025.7518149696,1644766.167727858,1122704.834848533,1614918.389937108,1382660.482713695,1241592.913770605,1271636.510144959,1413155.737159754,1316531.314363705,1153252.823377889,936171.9162116476,1000137.009665042,1640356.774823199,1253108.287574892,1528018.69867196,1403184.428005659,1610482.015864988,2477523.887298594,1516837.004016077,1142633.30597381,1243221.356040324,1659921.058707275,1042166.585431703,1577573.412066093,1943201.759505832,1515341.32011418,1424439.797751668,1515436.677297702,1745916.410618119,1635185.763379866,1344593.419446451,1600096.447118689,1611114.202656579,1420283.643150788,2041780.634167805,1251678.738905351,1566959.875537218,1368819.139660151,1613130.755554585,1231482.557671759,3596027.45038557,4185883.436664893,4731325.264288607,4432641.079020902,4185095.867578794,4103697.951085461,2540094.600752537,4677321.359221394,4150102.336755249,3995413.56393114,3472202.291310723,4133670.669455593,5103752.501171538]
["Com_5356_pos","4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid","--","C11 H16 O4",212.10489,5.593,213.1122,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},13110236.6198482,11631575.48957508,9690410.552371252,8453772.974219052,9182549.93609539,6783845.008175486,6357289.294061096,6729230.739838364,8693904.018673655,9145828.361966789,7825727.517751584,8015096.467887167,7859327.978515052,7197748.036867673,6749189.788191221,11282928.30805175,10209037.84943627,9373777.361875553,7060614.069637793,8989932.318247553,9703909.014908783,9786197.267465284,11193811.19807386,10223899.28376784,8978543.20543577,9141697.376735084,9142146.885814387,10487282.8541399,8223699.842587328,11577863.36404085,7884081.367028622,8175548.491293536,8915059.528302738,9136183.118500812,7195022.616302904,10897518.12469358,10547035.33921032,10183470.78017289,9204642.923074132,6571574.578131145,7808452.800475398,9229170.909207458,8320758.963273221,9963305.534547271,7684406.680509094,10694073.62603173,11290666.11052916,10545175.9795975,10193870.05866057,9141105.45095131,13528743.31305956,11534804.15191638,10975404.42693758,10985039.71874533,10949427.47672471,9894284.51956516,9528854.671495356,7834269.861049609,5769219.51539177,5118017.110116008,4796749.065254548,5452765.34284533,5516353.424746141,5002500.394027447,5567665.968395535,5347872.938571373,6611793.355685604,4878190.552473496,4968578.357149435,4716628.839375706,7181590.174398995]
["Com_5500_pos","Thiamine monophosphate","Thiamin monophosphate; Thiamine monophosphate; Thiamin phosphate; Thiamine phosphate; TMP","C12 H17 N4 O4 P S",344.07035,1.307,345.07782,"cpd:C01081","map00730  Thiamine metabolism;map01100  Metabolic pathways","HMDB0002666","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Thiamine phosphates",24984230.06247647,28472709.87432029,33539771.39914969,21510206.72132445,24192165.72678711,18507988.18340724,15961181.85142939,12334492.13692178,30586409.19994265,16410141.02905325,17252554.82258715,17893983.09904136,15710013.5113641,14935670.92416477,16343615.21666933,23120860.20294669,32125763.35612172,28419148.11677463,25505226.27501711,27382002.92556701,16054983.09468937,34357122.64581459,32339238.22714892,22708632.87862579,24706739.9902246,19733140.81368826,19927501.19019464,40622091.96483588,23804565.62668681,29587512.66994398,21576700.90251747,16964010.86568305,13321765.94253854,20930772.03617986,11778361.11480101,16176551.0460771,16720017.76991438,29813204.32284013,21052601.51507856,15737900.35651214,13287838.20500726,29229850.14842777,17843970.61750119,19281088.4764374,27372734.6961192,16259760.02059739,34224986.87783872,30437206.72864996,13237011.77153197,16346542.32360486,19773155.58229241,18087110.43675345,30017637.40998646,16696307.728292,16111583.95191964,27189048.78217872,21122213.021885,21387203.54667186,12346727.0652568,10648461.24607156,8669407.35144142,12290494.66995701,10812195.15902008,11938264.02875486,12985994.84242483,12419445.20959989,14506991.6425777,12353076.03395591,14169842.25982306,14622415.41728491,11518431.05872688]
["Com_5634_pos","methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate","--","C8 H11 N O2",153.07903,5.258,154.08623,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},6596484.154264851,4946949.582939926,4838788.612272528,4274112.883732821,4565332.017638952,4330152.294936331,5154890.693138072,4098924.41029726,4361725.117061033,4676709.810207865,4606505.228302849,5648454.677228416,3844891.441648876,4327724.02003276,4436736.016912033,4157078.845139767,4934967.708618453,4232729.880713332,4382802.454137368,5110944.019495645,4623725.596244579,7742813.085370165,7460833.052237861,4875782.801321827,4711425.484753892,4781512.45783937,4420118.906603541,4921339.611316011,3748440.492989079,4300007.675640024,5642652.426035322,5325609.154740512,6146538.10452062,5473302.594578258,5640089.324267275,7664395.90108533,5999525.719868543,4696441.72999161,5264670.575498078,4733846.371563761,4425732.10032023,6096383.548251884,6343203.814296082,5323948.740065148,5449657.946522148,5309789.27379045,5784867.304077842,6171175.169066839,5278001.33566916,7058120.248591886,5720757.25723508,6314118.549885445,6204596.420905937,5645349.626292718,6217897.702371224,5855465.232991946,4651075.617987041,6068353.707079737,4295113.37539809,3890014.562921987,3475460.497775657,4497971.211340616,4313230.620182304,4051562.396383633,3640799.60762807,4511363.536918872,4586475.784886792,4992179.013187027,5204578.572594352,4452526.764316054,4244070.96576408]
["Com_5660_pos","Sedanolide","--","C12 H18 O2",176.11994,7.289,177.1272,"--","--","HMDB0302242","--","Organoheterocyclic compounds","Isobenzofurans","-","--","--","--","Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Isobenzofurans","Not available","Isobenzofurans",740433.4990590913,544434.0636779777,614118.5243978143,643111.5027937407,617135.9272874813,562480.3911125587,397178.8019217195,546024.4203713422,1183009.726326046,502683.0953523422,376144.5120171498,514832.8546093736,339594.0438603624,660192.06417935,899173.2715757806,628838.4288298462,1121688.530305374,395600.2879471118,540108.4336669246,420043.8951353715,419827.6647658801,495414.2118903521,613713.4606012836,474542.1222466992,383073.8716697196,462801.0347835584,440224.1334592633,568621.0806542612,585063.5309812477,581097.8424502466,919966.1579968404,809641.3839649173,651091.6493050493,703749.5564919941,1085341.352891923,954550.1702438596,700939.1051800384,467719.0686415746,683669.1277069678,469088.6252704928,571193.5540261453,718400.2771925497,671388.6508398424,729985.1717874482,599705.0902227943,729175.0358653531,616363.0229421756,523580.573258872,772140.5029071366,815019.8000938379,719155.5793248671,689227.8505332117,658218.2268442983,1025546.228394852,1311289.232652619,1340999.148157333,578135.6301932096,645433.6065223702,5228712.96193259,8284120.512656704,5655090.173134956,4738888.567553573,7143832.009022692,7864425.40629554,5813850.981014659,11545946.36550833,4475464.73226333,5862015.217623865,6768250.075796032,7117385.211646835,6615719.345061353]
["Com_5735_pos","SPK","--","C14 H26 N4 O5",660.38047,4.929,331.19763,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},950496.9672757152,874570.9088663892,772028.5798298679,844747.6844695422,761795.4256536923,779732.0500767307,753320.0672252893,964129.4815094068,730032.924286071,1107800.69980367,760568.9894473213,851923.3738508326,750611.8992567693,967648.01480649,960284.7137286904,665754.1930161974,528846.6602787871,580804.6521418391,881458.290422006,1010195.073247395,720797.0603864192,785766.7117325434,614558.9677276532,895100.0608461289,775693.5017330493,806581.8656209569,679476.2435511696,673613.6460017727,823700.7660515851,627092.8639713213,544686.4692878552,596308.638153601,590496.6280934043,733425.0065636666,726802.6866003787,624535.2258355055,647471.3040306722,723980.7793602062,665479.5226640659,930980.6415642526,1204753.808383392,561912.3142075436,913859.3666952836,768763.038247195,498884.5176145778,742428.889232796,744836.5217557413,552674.117361797,895956.1070684646,673734.4068556653,688349.4513567489,581374.8054909869,556054.735165833,599744.461995863,564400.555804622,675215.21182038,616948.0220540736,715255.5316376218,4032058.63503437,3574467.334393295,3205611.174732156,4384075.361009088,4424078.101610363,4534620.587916909,3562215.278493937,3389491.341975842,3376475.212671156,3739352.613171909,3442582.791513218,4536878.449892604,4053626.518937298]
["Com_5789_pos","3-hydroxy-2-octylpentanedioic acid","--","C13 H24 O5",242.15161,7.85,243.15889,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},37676.50954380591,34271.82179485973,49239.95611770346,43150.86447600285,32526.15586205184,36964.32403432298,30099.64766245372,35671.78829676832,29881.63766048384,34362.22565201807,44458.0389227696,39442.27984055888,32823.09274469381,36340.66118296485,28935.11995579777,40980.5707438918,40628.19364579005,37116.59166164087,29347.89148725369,45053.96327341351,42555.21827229998,46488.11877283464,49993.20433927913,42389.40144965782,54410.67902767922,39921.25273161261,28531.97811245384,39478.3034483728,31527.36194622598,27738.30494789984,44165.69863029641,49431.37749177971,49161.49777109986,39995.86722620923,41399.0839347838,65790.5606756174,51089.64596994769,43976.30403234775,33676.50807215957,31737.39871697298,63448.59587290837,40809.72626787062,46354.76633187698,50843.89392907901,40982.0661912283,34658.44634210111,46972.1715305172,35677.51617087374,42265.70451707894,49927.66543624653,49579.6736460745,52964.45253180142,42443.80825821315,47949.59242238219,60586.89537165115,43562.30583497888,40230.22805188368,45149.62844416934,39378.9140718904,36092.03452432309,45991.59985826362,58449.4168917929,34148.55152179022,40353.7360660344,37373.28934906877,25849.46880327033,31821.8501061914,33820.58210150807,29309.55501617847,34888.06313342712,28804.68749521826]
["Com_5978_pos","16,16-Dimethyl prostaglandin A2","--","C22 H34 O4",384.22932,6.637,385.23648,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",158712.8149371493,136644.89062319,176177.7219231242,134836.6224836087,115603.5666022524,106388.0441400391,123776.9295885283,115293.9890981317,150607.0984284108,112077.5801452272,116746.5648167134,135627.9219680731,127788.4389667575,149335.6875043327,131296.5417612739,154133.940930249,156766.3189998241,140739.2726914801,128368.269317415,125928.1297374577,127383.662810787,141374.2236801747,168856.8773837661,142487.0348222571,119452.2068304028,137377.870748597,98091.7898125832,125579.2162283755,107205.0592937976,127797.7518477166,149000.6088036775,114450.3465691772,159487.363485491,158258.0911724189,128881.2548825422,149390.3599759252,136119.4322095314,113204.0530851536,137229.5051383119,117749.950112793,138576.873533514,154130.0426592068,137446.3928357531,125488.5859583819,165029.9045029102,158691.9371735721,213795.2758525445,122902.6151166353,138936.2950194078,151370.928236255,137142.381065475,154194.749337048,137970.067135383,142665.822563537,144174.7422273022,136499.7527253245,115166.1751853789,130595.1276113915,3616231.50983084,2921089.332954679,2201084.442247068,2957484.874244657,2124418.783170637,2387205.907908235,2190346.167729089,3518564.322709989,3140796.913358785,2621452.639343369,2164855.51931274,3573995.023203259,2177341.998101222]
["Com_5984_pos","7-Ketocholesterol","--","C27 H44 O2",400.33354,10.296,401.34055,"--","--","HMDB0000501","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","Cholesterols and derivatives",187760.6830334628,75155.41207082059,128584.6344149357,45490.19294383646,17994.08240799309,50863.38450447557,49481.64807502141,26914.5445815334,295610.9474210911,30193.37162477005,80211.04409307321,31748.28999390322,133758.334153587,215913.7762536605,300151.0563805151,174361.6489725108,22237.93852674287,29335.3216035579,49734.97628703903,543866.522146584,101774.4515990239,60944.08291896865,41098.7667140575,354737.4954692433,238759.6472654524,22848.51361991549,33130.41685277983,79110.77712069787,86938.28568042208,71982.88618496768,205517.6512822511,67259.16343399108,18963.39958887754,22941.20452650158,76974.55454708006,148131.8617912389,31689.53440240866,54645.24966281705,51496.35646270301,82137.62453435092,30373.95644044455,213421.1138136324,28340.70409113156,22647.01077371764,22221.99990352686,27154.1960338154,42843.88998305202,22667.10626651793,20922.57953605251,29544.64904558203,23614.84827319719,27236.20104154954,23252.1670593292,26611.40711378988,20606.37496376162,44747.90055619873,53095.71464466053,22675.38831351038,2546133.60675929,2047576.99759144,2594519.964830549,2000326.112429035,2054505.805721092,2437381.449576681,1889273.533581476,2190184.68593751,1794722.808677389,1822163.715263145,2635261.220924361,1732849.417909442,1632561.27063115]
["Com_6113_pos","ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate","--","C11 H12 N2 O2 S",236.06221,1.173,237.06953,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},13166937.42917455,7429084.509061601,7162903.7304672,9303900.092400068,7361592.271509765,5384087.246313957,6291647.170053958,7216242.362678649,6267622.779395198,8402062.09142497,6108386.450854402,8361614.076165242,7253563.600474041,9667597.566093149,8497234.497493457,8275663.849093843,10470822.59885537,10036094.08119966,8045853.054665926,7270897.577930221,8513030.045623194,6154533.731896949,8214894.968930606,7281834.102682791,6554713.22757398,6748767.438574928,4745650.560072539,6826746.380446344,8225530.498991398,6800365.223777832,8818867.193448374,8782945.482968012,11968120.31387424,14512274.5301653,10718227.15722934,13326373.9170707,7172504.513259358,6638353.591899064,9112591.478762142,7199461.409460411,10378726.36509207,10167785.16188458,9596178.657626886,7215745.517449642,6633602.289475999,10333558.25809176,9259289.232978327,6319126.676819345,13260839.82485394,15782799.16574926,15512363.42067652,12287536.86705386,9548595.880440367,11740246.17987069,10137803.66399569,10613997.77116329,8918024.089098066,5681043.933599561,13254295.929876,12487226.89843397,12745796.1634124,13378089.68617668,12097476.23553635,12887555.07921139,12620154.51154242,13189265.99732149,13095611.34689303,12977136.22052492,13690885.59868673,13090355.61720138,12838840.22603173]
["Com_6181_pos","RLK","--","C18 H37 N7 O4",415.29082,1.393,208.65273,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},904797.7083305792,1026830.943651632,842630.8485359142,957532.6800844254,766226.6192403978,765393.9843313099,1167962.549557669,1149871.969185947,948333.3277550192,826481.5385812162,837074.2659387464,847837.8997365606,833408.55800169,818285.8720654725,775764.9479727253,815758.4527889465,1008533.856975891,851516.9244597319,825917.6077456251,846707.1092944047,902226.8411066136,969785.7883074968,812258.9126739032,917841.6690462944,856791.22214548,714885.171161521,839238.5245290865,904607.9459691914,769454.8671565431,984603.4933235128,915728.4778263832,977957.2025113686,1008986.221314504,1071735.572367172,799770.9790880646,918442.7543107658,912213.9106883808,904436.7987731444,760485.887444053,949818.4095027864,1024626.729120327,1015326.673152498,915761.5323452828,901528.0455264614,914297.6953572272,897822.7898806104,855618.5065825247,829396.7422136958,957673.2125880332,923515.4335798344,1114406.779478602,932063.710191,925325.9851451464,887977.5106299415,927252.5496537624,1025904.561368182,813630.2677162525,852954.1985148137,3093792.95017785,1518058.286703985,2408571.380204365,2294130.305691598,4706607.545292124,1984856.844312876,2696822.232936367,2323526.78738088,3082029.142948199,2980605.534265632,3215907.464617932,3048272.627024269,4345171.040715418]
["Com_6308_pos","2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one","--","C11 H15 N O2",193.11043,5.088,194.11769,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1481285.898705073,566670.8502246629,838681.9618146709,658163.437972618,569669.9207898477,566686.8892992962,545557.8650904489,807116.060251637,570448.1269563547,1661911.774215706,1944757.269229502,673982.6477693113,485991.6277167881,626047.7115325351,650977.9887559505,692061.0854979963,536850.1225760846,735679.4354203219,613010.1604840821,1807880.829804882,1220656.725304462,2039949.068920312,1599211.444672039,799328.9384647371,610876.9142572909,720966.0484274769,570682.1162261443,1666138.866156722,541833.8308698344,794945.3183306226,1651700.397942468,1802942.334444101,1703108.802768926,849703.3092773127,639029.3334631978,1351951.03529289,613142.2152701208,833190.5994865966,1123178.004838619,1177586.757955238,1225636.834880243,1328918.807983737,632719.6417394319,599639.819400132,986486.2390954674,630369.6871375181,807575.0580260226,575384.0922800757,2397328.38431447,861885.8402036913,1157792.257520131,588314.074019991,1256139.183081401,1104990.231951837,764771.7572570055,826603.536501959,699758.88044716,767007.9129361612,4552920.44830881,5149113.509767143,4881913.240550528,5166127.140635212,5242941.747980366,4723178.093456314,4744311.60704248,5272148.223677038,4970776.87740758,4666829.133662205,5466394.015710723,4804074.240801229,5341417.091929822]
["Com_6312_pos","ACar 18:0","--","C25 H50 N O4",427.36572,7.834,428.37286,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",228700.8582152599,165151.0155399024,456342.264245273,228247.834629459,402990.6616274521,493496.5804779129,379155.5349640134,250511.6367520105,265116.1956574854,381480.1484592585,173644.6649714067,697977.08135199,286278.4807141243,238393.5425859496,306484.1228862939,693442.9414199855,288157.1367323922,319350.7149765249,242019.2440797208,428971.9517325801,409259.4135602595,266300.3246170285,856416.5043068832,213007.6716466017,454164.9057000934,485779.2709743579,285365.9715773179,606348.3969833375,276250.8353980483,293662.9663136091,612580.0150065903,1041822.174439666,629949.4208171582,1126615.803181951,506759.2303443493,382090.485007398,902229.9730106484,1467198.003926856,870552.5496079188,202093.9257748768,697439.6342061628,1038335.285886927,1209848.84528046,450394.6563545837,820758.0882008651,259502.6047423944,677992.1779444035,492351.9056045885,669455.4802901159,316127.6810149684,161799.0795817078,584550.8833705748,337468.0485892022,330064.0407770468,76002.37649902719,547117.8885445276,427703.9457690288,623814.416168727,9195124.63909749,7419174.812360573,8789191.828924673,7457165.892551275,7083127.853336537,8473843.291124906,7416048.33302377,7790185.875757812,7607724.97042257,7100960.93097878,7433545.241639056,5503468.585389596,6054367.084760137]
["Com_6398_pos","4-Methoxybenzaldehyde","--","C8 H8 O2",136.05242,5.812,137.05974,"--","--","HMDB0029686","--","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","--","--","--","Full match","Not the top hit","Full match","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","Benzoyl derivatives",1852810.636628267,2299883.423588455,2062841.649817333,1490193.834947397,2167300.937690249,1789683.495139899,2554827.375274599,1482676.411717304,2074667.694513305,2250103.174437832,1253404.809123806,1494088.796303108,2000417.696423058,1922713.724431232,2324940.019734726,1771604.945670204,2467587.862385748,1585220.670572641,2001112.141450479,2447045.505728687,2292522.803343201,2011440.651037426,1756388.584976232,1911125.850674028,1801773.863701766,1201945.035017352,1963903.881267565,1540135.845566231,1766730.055097552,1847825.837920377,1830801.4457593,2196564.098652697,1588136.620859844,1772215.481102441,967287.5020630436,1383694.81493279,1525838.508066986,1490075.362539754,1473963.663237375,1319204.142736194,1670621.611799163,2658696.271644436,2851924.370913759,2603747.701378034,2145051.392913849,1894146.07048582,2938024.250416125,1966596.735684421,2203268.298299924,1434194.312538054,3109872.89677065,1697312.308071223,3162500.06415772,2511290.209714368,2024139.179125772,1482835.782382311,1493958.929040252,1295329.307785488,934531.190595566,954163.218569048,1197795.494898641,627676.925119822,1034510.654247745,799419.7995369858,1152383.304238754,1069585.290912876,1154266.943931662,622642.1451864322,1470859.651079477,477485.2554843125,1379275.632582655]
["Com_6480_pos","Carbaprostacyclin","--","C21 H34 O4",332.23448,5.466,333.24167,"--","--","HMDB0247207","--","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","--","--","--","Invalid mass","Invalid mass","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",8793426.04274376,8570881.105673466,7097414.509922282,3051954.927733825,4902333.491024628,3519817.970596455,6964714.679271722,3196411.27705333,4821963.926837284,5613435.557419873,4212041.976603211,5230315.907505585,6445712.355419749,5112011.278738666,4086297.036110402,5724814.17564612,6046121.163033606,4383395.850071591,4348352.943348194,5081283.150584818,7745577.52702227,6289823.452858594,7916199.192012986,7298998.167467539,5282635.575314687,5257761.941611431,4450647.347480229,4572168.053569133,7881269.55737639,8438771.824867405,4010076.505546972,3179026.143517768,4545208.856639233,3279144.174203712,2077515.277106516,4384044.58416018,3696906.993613632,4303259.351523914,5336329.579750344,2492295.154205308,5544275.30768142,4133195.736795709,2645190.576734835,5357146.866061713,2535244.978244139,5989997.804113273,8873360.743287189,3846763.417371351,3439900.636501989,7166952.028443973,10496033.355612,10026469.97106948,2422213.37630651,5130360.641940063,4289427.619894647,2483424.952186881,7286307.223349993,7413559.73120684,2368835.79217494,3454678.709943486,2798128.409157327,3008875.833272251,2732646.80909926,3413916.32712629,2939673.574601847,2631484.743592886,2798985.433679065,2702464.719270138,2897968.559863901,3186996.589706206,2824122.969653926]
["Com_6773_pos","N2-(2-cyano-4,6-difluorophenyl)thiophene-2-carboxamide","--","C12 H6 F2 N2 O S",282.02643,1.235,283.03378,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},564488.5959261137,711838.3031901217,503190.9520016568,869130.2497249966,456357.6674236567,572063.895760894,470554.7300142174,554214.5250052074,588110.8251322869,675108.8659481214,659443.7658094032,665082.3427717134,462915.0628891501,584636.9167810372,478912.7490462361,528134.9937187181,637459.5297416458,646700.0604747677,512259.4695839481,477884.3034306663,519195.5128938553,572062.0152867102,599647.1304135689,527642.1428568986,648399.8978564179,482075.1826893813,518253.8332577901,629734.0790217872,720819.4749731147,699943.5024711535,585286.0325784219,653105.273891523,835399.569756708,847735.3435902906,601469.9963725853,695723.8926265796,746741.1160053095,663159.1987171868,711397.2503402804,657908.6632387764,801294.955438736,593131.736286303,536103.8100043013,908677.0800781816,680700.1235320239,838595.6112862903,698005.3733850323,626084.0609768581,614033.4960652116,626379.0433892247,984410.9815099158,589978.0649676737,566578.7269729442,673643.990927671,687490.3554061337,645645.8651272395,557532.4700808171,556007.6692304406,660758.920963781,636525.2149014244,1091870.197764221,765614.7090821564,806593.8701102714,813401.6713259883,895178.6615495484,666756.0947359673,731606.9642111197,605952.9081034039,613535.8977043421,514632.3810226653,645659.3521675074]
["Com_6864_pos","TMK","--","C15 H30 N4 O5 S",756.40157,5.014,379.20804,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},596801.2842758939,572449.3813178273,483204.9080358235,476208.155171693,495468.5092909094,449034.7916775921,485110.8808912519,493535.700926249,466252.380542457,542352.1946567196,411542.7564250154,563353.1499644414,435184.1531796565,528345.3140965728,486480.7040837244,430277.0938229209,454228.5052874802,487531.3933461316,417235.4278747628,489074.5819793157,468435.0383160622,470459.3412336506,492964.7630849698,625082.0193659647,427374.0249566959,518626.6779593071,410414.7938525317,480077.7331808502,418259.6881453387,404569.6808094406,584257.9338196809,606292.5471545868,529107.6320827568,605867.7128484237,559254.3313997794,624803.6669430833,512715.2884841633,554996.5355890674,506137.3300923609,439291.8882882917,514312.100288017,555903.4169779969,503743.1977749236,491240.3621926027,495618.3848749817,497222.1134759052,509397.333731371,508774.4219420884,565177.7543261249,634719.4384074272,562835.8466172344,516214.6457935554,525328.4083580774,602180.0248051776,518531.3804408811,559022.4652571789,436897.1148203335,402025.7244135225,2251320.56989984,1989517.504411898,2307638.547869095,1915670.359159433,1419226.516685131,1718631.500044261,1757301.808675089,1979289.450313328,1999641.383186831,1649776.796883416,1480588.753911513,1684492.61775246,2528558.513971018]
["Com_6926_pos","1-morpholino-3-(4-nitrophenoxy)propan-2-ol","--","C13 H18 N2 O5",282.12145,4.047,283.12878,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},582539.9519931665,116639.4117970683,168007.4370452393,258450.7351267945,285435.4968961549,284943.4486052931,283592.3072666712,169418.3994467586,157269.8320086708,837994.8731407701,234892.922681461,176285.7517664295,649501.6756264026,193774.5366451104,97043.32385903528,123470.4916364524,159371.4633431361,319383.9166154405,221175.5915968792,186518.3891917701,281529.6793521959,140133.6681523918,194259.7216181569,320936.5443381548,285958.6137685018,198105.1153503945,230920.8772270879,154851.8810747379,373442.3923490993,219118.9459766064,376458.04270379,200460.581801973,207890.6135852462,190989.8164695352,142157.0445603991,286436.6953475412,464117.3105371893,269127.517951717,289894.1885573681,494760.3457228769,130292.2470944757,119622.302475512,185994.3578580714,143977.0899713671,155678.5518709261,135294.5913967307,191689.2883081652,161170.8318127184,123446.8806097741,184356.575767956,131186.7181940569,181743.497546143,255449.4539473566,191255.6823732908,336329.0226693224,179838.3771032932,180016.3887694675,96214.41271315924,1775189.48413896,1748148.348064387,1792635.414283019,1557603.380916706,1659235.03172391,1180436.577915112,1427016.497786589,1231898.594981176,1101541.922289113,1138044.588650858,1320671.816715867,1286764.534486692,908053.7835335276]
["Com_6993_pos","ALK","--","C15 H30 N4 O4",165.11355,4.759,166.12085,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},739589.7683705143,570291.5286691373,701379.8837150434,628691.6004842586,796007.996271854,590771.9760110251,472413.4357029387,471857.6830974461,638484.1843629639,673686.5243706655,608160.8308504465,865212.2753773228,683871.7359290299,458683.0893141892,601252.6740277723,525553.371690492,677167.3570823225,650776.7674747334,696077.3181225862,561290.8065989076,630155.6791171326,558857.8140062419,477654.049995781,552382.1479504674,608381.6082271948,640052.6373154093,762096.0922593378,479119.0395817725,467249.4730552616,546437.3831215157,546268.0843512005,546484.356714205,497287.406782206,498254.2412896319,566696.1738500679,429841.0502271004,521132.7623292321,510440.426861577,442117.8741238873,481132.8432633921,753582.9884098364,470360.9557065842,483676.7060363708,613511.5635143683,572761.8623285682,534958.025773632,498661.058687756,475106.5217377081,535887.739382805,604627.4071239815,452534.2656218202,538860.5373968142,426990.9482159081,477744.6171820753,502087.809367298,516256.3232008137,466548.5293345513,382887.7927775793,1922456.82910098,1996597.14359426,1990208.60973666,2090907.56533844,2240473.987329495,2311547.50346969,1798679.955921501,1783499.819796744,2364736.169225025,2035722.763935722,1937927.144400628,2132388.891344644,2150214.091203013]
["Com_7165_pos","HLK","--","C18 H32 N6 O4",396.24858,1.382,199.13156,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},2046344.508599019,3081628.484286117,1938483.894176776,2359324.627530329,1794661.782561227,2187951.443005381,1839956.992812012,2224051.1995721,2468625.025627276,2038902.693678176,2096845.888568369,1985401.335457037,2307644.184375911,2084152.194269277,1754516.315228751,1931674.670812932,2604636.200215055,2135102.452234024,2600969.691677803,2046553.687659896,2235858.61523828,2092451.370200996,1837053.244285578,2077413.060497477,2054075.645286638,2726778.965145221,3050962.130312415,2163262.055717789,1933576.15134423,2322798.028855502,2071066.189397448,2269034.695748603,2318999.541529166,2712806.864050226,1879472.916837566,2402672.284102274,2364279.530918444,2727024.042599093,2106332.403824443,2648668.24172597,2317356.975149504,2296323.413410554,2109462.692878242,2162764.019602833,2569223.894086747,1767499.614162373,2391725.159932186,2777280.714894942,2356294.184670043,2390865.356593594,2546081.329040961,2110416.592082782,2281015.871060317,2340363.731996621,2285382.277590021,2548364.283358976,2164454.62428234,2480194.761352201,2754651.56723279,2816613.270823323,3023843.781398382,4045126.457948843,3317399.099113029,3255300.868314758,3790731.416410493,2365752.583237842,2371027.352479151,2852334.113768004,2435258.950119018,4024454.00339528,2875238.399627284]
["Com_7183_pos","4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one","--","C16 H14 Cl N5 O2",343.08371,2.041,344.091,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},3096190.424673426,2218700.167364146,2229480.041266205,2254915.696774111,2114296.709158259,2148760.672783125,3691138.048511031,3468007.744952347,2110658.449031942,2537308.119805766,3163180.902560368,2491737.553125123,2916789.470069767,2337419.861505368,2497330.488742645,3365294.223983705,4341469.220938506,1990090.328964884,2912215.876876304,2562475.217313552,2889245.84964597,3456645.639927761,2510081.726061505,2228944.31348418,1836907.80092788,3194499.908764186,3174432.219108603,2919535.053969068,2245124.091494442,2337528.056277801,2415038.725518323,2405128.4016102,2542926.543530291,2494457.283498949,2678131.001504021,3584292.084148543,2993384.883081221,2257295.276487641,3242168.921017445,5729439.043642943,3767150.253725457,3026669.03356624,2468729.550289863,2792433.358605396,2441135.115737637,3007354.406142792,3139842.362144947,2537637.998963508,2451818.680777947,3391170.83143225,3817035.934261548,2131705.919517989,3144749.098103579,4052936.344885734,2787869.086757759,2315019.117074565,3064057.921853936,2184140.394345097,3190970.0498659,3194502.301524033,4275740.572979861,3705506.689176203,4290112.044357836,3405532.698042834,3711963.219718012,3170865.196389485,3331380.495210463,3341933.222627128,4069006.780573829,3936008.25181679,3412417.052709453]
["Com_7232_pos","1-(4-methoxyphenyl)propane-1,2-diol","--","C10 H14 O3",164.08358,5.507,165.09085,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No match",{"$nulls":4},9007085.750823407,7991205.718832556,6657573.111514322,5807969.780004328,6308659.186243356,4660684.279063717,5504771.095874639,4623162.805394338,5972946.276733831,6283430.475528786,5376485.631712656,5053112.591100193,5399570.053461802,4945046.810424279,4636875.209314399,7751675.712485439,7013884.036544508,6440037.579468022,4810611.396069916,6176325.693616031,6666846.918929512,6723381.165301508,7690449.857093864,7024094.242300931,6168501.066288855,6280592.377384841,6280901.202232187,7205045.850764487,6229197.728280649,7954304.041572705,5416576.298232975,5616822.064798735,5534844.256991938,6276803.933422432,4943174.373072783,7486888.533473608,7246097.417754476,6996318.771177435,6323837.663488209,4514848.775005842,5364617.435558794,6340689.050751765,5559316.100595921,6845059.316126956,5279394.409309067,7347116.682048277,7756991.79124572,7244819.98760887,7003463.355657583,6280185.708424758,9294611.123732464,7924721.202817426,5252039.897370186,7547018.22644035,7522551.656769661,6797640.019391179,6546579.868997555,5859529.242072986,5430789.63450537,4901002.789437552,4405441.565339272,5051148.877240482,4649186.182934704,4315430.19735629,4885078.334366134,5098332.021323787,6307397.768246241,4183366.247500542,4980677.679900134,5643694.61053977,4121670.360294734]
["Com_7312_pos","3-[5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine","--","C23 H26 N4 S",390.19014,5.132,391.19727,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},770465.0372947028,730870.4770011705,692506.6968290803,737743.7003752438,660481.6607320891,560172.6533049883,655262.2024001032,664440.949658016,567246.9363590664,743615.0137467987,662106.1365340889,739264.396708232,607753.4663654887,658596.7391225855,735411.9767820082,622583.8877657286,540280.0837623861,533850.4571679764,638598.1294830525,756619.4606801184,613706.0605515694,662929.2573017254,554408.6234185668,626813.1336349766,671454.9217539283,697375.357910823,611236.7569353813,626189.572325364,590613.0475624618,549735.6131840853,663457.9754190007,665457.9486232782,619044.9870054678,605430.7047693321,648025.1445356769,552009.957269307,593079.6224827318,562482.1425020746,581962.1577403208,521080.024097371,741647.4582112961,580380.6128490021,710548.0458158599,580019.0377672317,628610.2502416847,609743.3951882978,615137.0785665332,585426.9507142435,705549.9385679206,586838.6523928809,566373.8110233106,569063.8814803158,534557.0691244953,731871.2846235322,666642.6691340226,627177.8368755805,496189.8812032492,528256.8676475575,3145815.79671056,2767451.122838293,3312305.488265377,3186491.975917339,3106748.812719746,3002970.40438056,2452637.338454267,3482915.607230086,2354472.896039888,3149910.760447315,3339409.217436087,2579983.459855683,2794812.24445379]
["Com_7385_pos","1,7-Diphenylhept-4-en-3-one","--","C19 H20 O",264.14746,4.924,265.15479,"--","--","HMDB0031873","--","Phenylpropanoids and polyketides","Diarylheptanoids","Linear diarylheptanoids","--","--","--","No results","Invalid mass","No match","Phenylpropanoids and polyketides","Diarylheptanoids","Linear diarylheptanoids","Linear diarylheptanoids",904421.40163957,832175.8768965008,909117.4920131724,1044939.864819317,857992.6921213717,741934.3542514747,1234048.6059397,1038582.917383354,767685.727759081,829211.9345628886,927936.3666647928,962161.9838999806,785955.830179014,1108171.757629624,913734.684764783,676465.6047924344,981819.2096472704,627573.5881728329,838729.3909997738,2179147.156422039,1287858.534803389,1070671.472838261,1753331.640126996,1172542.984998376,2295436.968857696,1830338.508709724,2389733.784814888,8810033.844829474,783771.6763044286,596694.388848689,5639332.538372474,1202258.966328591,1398862.069367202,1275418.114098101,1204346.837484511,994948.389176876,701714.3109114222,2217267.46717347,1201163.939416671,3357402.605823322,745799.8787708782,641410.4146416856,869559.8174257484,731497.0678686431,1711005.771049973,706439.4729655762,708730.3949316683,750304.119655177,1317751.046826044,1102913.153935432,741732.5460033335,614297.5509086171,654848.6303920572,570671.7071370999,694349.0821560096,669172.6167673655,679965.6953595941,723961.4068992806,2598186.54588839,3428950.250814385,4048509.816600456,2987074.815673988,2861381.6203796,2712299.655026371,3309152.903685165,3225601.890855304,3118822.74690146,3038180.471806074,3197208.229356732,3539805.855064624,2837541.551269735]
["Com_7460_pos","All-Trans-13,14-Dihydroretinol","--","C20 H32 O",288.24472,8.136,289.25195,"--","--","HMDB0011618","LMPR01090047","Lipids and lipid-like molecules","Prenol lipids","Retinoids","Prenol Lipids [PR]","Isoprenoids [PR01]","Retinoids [PR0109]","No results","No results","Full match",{"$nulls":4},11851222.98094268,3052047.948111648,3187089.080091922,3420549.221862394,3907157.540541857,10086410.43643266,1453014.277122464,3845148.45680964,4038066.2537197,5513297.358956076,3864163.559836141,7132525.134888016,2987014.277019137,6112021.002600146,5839467.75537274,5998840.550528014,2129378.293600264,4795202.614358799,4341705.85593079,1176025.727654971,3090119.540721132,2518889.649562754,5290048.972253879,2100553.359919448,2987056.978445141,2656093.85225686,4462082.901758407,3673738.132572909,3344712.06523262,3319426.5193563,5391348.493625131,2607147.506009388,2503058.298531397,3722446.056274879,4820332.509075044,2553628.51979369,3596686.415530076,16114772.2195537,4865313.638072424,25239643.00972686,3265504.794629107,8123647.242078177,3945534.726681041,5482499.778134701,2154881.683192276,7436504.163781674,1535505.306035724,2730497.68317158,4056378.035332995,6706228.926071961,6339203.239183192,4139526.361025446,4661539.937783431,4721115.961851071,9832880.696833331,2237232.840516588,10174915.45515195,5370028.53884895,3633530.06745532,1554565.813448199,3122493.016355633,2268017.030468155,2432125.347221093,3104208.794891469,2620359.257979569,2085914.614219309,2192632.490004967,3170763.359143573,1968913.070207008,1942162.917781082,1725016.704348754]
["Com_7534_pos","N-P-Coumaroyl Spermidine","--","C16 H25 N3 O2",291.19468,5.239,292.20181,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Coumaric acids and derivatives",237951.5699521773,214615.9074773124,210803.855513763,194831.6370541915,194979.80592225,183912.4961462444,208098.3851681945,184890.6892070538,185379.2046395433,202401.6225711423,205798.0219337305,211183.2258087369,190051.3631068037,222981.0111153261,174284.8941970184,196546.8886548158,190664.9567370696,183812.8452099051,207079.1173912494,186903.9507170833,194923.6677271307,232247.5692913232,227394.7909144036,203614.7653538943,189118.1274419983,198011.9214460668,200668.1830684769,204790.0934227037,156064.5234551073,191394.6086685338,266517.6969972473,253208.0046608014,211584.2395657196,228213.3830960694,228183.6086983932,249786.6409527935,189074.9521295989,206999.281652033,186214.2153728249,156078.7783596979,217174.6612841183,232798.8357329517,206339.0630414912,197426.8342240621,218472.3300529803,205538.5442544948,200220.457335584,228093.541863055,226098.6415245579,205332.7282136241,321463.2035183968,201742.1818090478,199364.4319568364,240293.6641171198,214431.7274467575,231661.6768817015,186857.2973957203,185599.0496115293,1560431.07369107,1377315.566068336,1701743.5674723,1762137.420940338,1886989.826224382,1598143.083463013,1665495.942096807,1551949.936322879,1494364.555297834,1879577.454710825,1907116.375233154,1957187.127111345,1528016.266432516]
["Com_7548_pos","3-(4-hydroxy-3-methoxyphenyl)propanoic acid","--","C10 H12 O4",213.10027,5.021,214.10754,"--","--","HMDB0062121","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},2439921.599607978,1735823.615790167,2193041.819781042,2016083.301672537,2091624.398458925,1732870.061827709,1881338.863371775,1935030.722099125,1796367.109912791,2354892.49480324,2096768.815668639,2341114.887812411,1729705.532565454,2010834.314422416,1994072.865745914,1971609.095542217,1644476.896134611,1690606.579603314,1877769.98387287,2396075.195416071,1943494.643453033,1932221.24996771,1755710.525214231,1844314.820247569,1871235.433565074,2208459.9773346,1748110.907878386,1983027.637867406,1659742.969106371,1740911.958044544,1939881.744829367,2107383.390397369,1780124.421242834,1777790.535737779,1914164.86835653,1730269.059786568,5445181.356049702,1912729.561272761,2357341.919659609,1683316.932599035,2034780.629101523,1606175.875342521,2250175.466277798,1836814.014820491,1990693.481283823,1930945.60833287,1948026.415298763,1853939.884223393,1898974.452743697,1858410.484771349,1793602.081958557,1802121.042190117,1647347.071451717,2317702.25649157,2012440.98836285,1761212.840438563,1556657.666397025,1672892.706514231,3908310.12328914,4009905.874161899,3706723.079754109,4562799.559715606,3905063.888631641,3811242.785825393,3522884.417065304,3997667.537946444,5091561.022041847,3395901.982884629,3665386.778607284,3412348.852775693,4767049.112786447]
["Com_7745_pos","XLR11 N-(2-fluoropentyl) isomer","--","C21 H28 F N O",329.22018,5.556,330.22766,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Indoles and derivatives","N-alkylindoles","N-alkylindoles",5049736.735644016,6061007.161050092,4093995.56174116,4405110.776313681,4784863.492418205,3534941.006990572,3312670.409155284,3506482.482882339,4530238.793694834,4823948.914409225,4077847.456522993,4176524.249179416,4095356.059161085,3750618.515435759,3516882.788077693,5879333.314219341,5319748.091591086,4884508.703686561,4234246.087150401,4684493.876783013,5056534.437854485,4306422.240046139,5832895.972843533,5327492.120763008,4678559.212612022,4763575.95015429,4763810.181342563,5464736.615935554,4285223.758460001,4672368.047260802,4108254.609763756,4260132.945502847,4645478.997291405,4766835.298193103,3749198.347241454,5678502.920832924,5495872.573418454,5306425.546418119,4796375.755086914,3424330.660375788,4068845.908520332,4809156.852517226,4335799.540395106,5191701.351785388,4004207.681128853,5572491.610123494,5883365.345500782,5494903.694186371,4506530.453856464,4677378.422218899,7049587.579425788,5587950.33688168,3983460.387343397,5724108.867230257,5705551.961151499,5155735.728173663,4095880.174773511,4082298.719720137,2808445.4927183,2666907.710188718,2499500.644631083,2477868.947416372,2874473.68073531,2559649.9065191,2512852.753430027,2203430.198569226,2448406.494756173,2188098.616465313,2219494.465725976,2381860.631571783,2067743.095749761]
["Com_7763_pos","N-Oleoyl Glycine","--","C20 H37 N O3",339.27702,8.716,340.28442,"--","--","HMDB0241916","LMFA08020082","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Fatty Acyls [FA]","Fatty amides [FA08]","N-acyl amines [FA0802]","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",122457.359271298,131031.6193788528,108444.3501140302,113146.6245610604,134644.0889045662,82036.36856661047,81218.79585842213,76598.64941314401,87633.7958332702,94707.89297089746,77829.60392061398,100717.5545086968,78249.86283585435,111620.2145653218,72849.2113111789,126780.6959510517,138410.7778137855,119969.4590179928,121246.8418094933,97499.87177237576,88072.81026709298,107648.4588325474,149251.7937519184,94970.26327606104,95788.15996706123,64160.45512716432,64130.6059495845,86841.16074681513,75915.07418225163,98800.337725501,125358.9316399953,125377.748653118,107321.2213143871,122175.0376186606,122066.4107008977,104460.966327426,159926.7979598924,101688.5755219969,73729.65150593172,87519.76721466883,113655.1460611274,106652.9253382224,142327.8041034704,98499.27425585152,117024.8386571416,108582.7279980685,104560.8871245516,71209.28256668318,125158.2546803289,195450.0824867212,172021.1876434155,130521.7095174067,74150.1225372655,118951.2294299924,135084.6609831729,114608.2529122633,108563.1073717459,107033.6754391161,331401.173278968,347596.8146942653,240302.4893409421,328540.9929219659,316613.2173651935,233031.7597487881,267678.5217033082,322659.2802482648,353752.6459184115,387892.4232324533,341819.3662208864,271946.8644264602,368190.2289792058]
["Com_8003_pos","N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide","--","C13 H19 N O4",291.08876,4.966,292.09604,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},272323.7827727417,305146.7904530321,263739.8884961573,265215.4465401898,204511.3113344758,202591.3563364203,201031.617729822,206802.305820174,189633.3065705788,234464.5556285288,235822.0829506895,237875.5984594533,234160.1347451051,231627.4095057772,217783.9179382359,169841.7607069464,195440.0300511432,263429.8227204285,191780.9497960822,223737.4974784592,238439.3997250714,232602.9098920606,265390.4229774174,291567.1670076234,209763.8594740408,196165.286887499,191541.0912614818,192752.6346258147,189614.5868308477,153679.5326946521,273272.2477500132,233316.2221630417,230164.6959664066,247849.6325020436,243300.0371308368,222345.7021179917,226936.031641534,192019.649578065,219909.111596238,202935.8234472545,242454.051962428,234025.5432303821,237774.3609623632,207242.6518666038,243941.1692690605,240170.653511119,202822.8445272548,183434.675813458,254794.7583572712,267436.6446855573,317280.7642145026,227609.3247941409,223539.3198366915,232307.8180744041,245405.9037078641,205495.5850909906,194421.2533237637,162510.9268224012,1187645.59488602,907360.5332335464,1095510.572338621,1041014.811244216,928200.8761722846,1092713.606010022,1308965.473439736,863254.5084428348,1102048.31197524,1157717.94395464,1057239.503212654,1173535.156958504,1058396.666364347]
["Com_8074_pos","DRH","--","C16 H26 N8 O6",426.20028,5.021,427.20764,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},371729.9544914943,356561.8708816096,300974.1151816737,296616.0437560609,308612.7514523473,279690.5554215326,302161.2895753577,265776.5835898399,290414.8847650178,337815.2191524162,256337.8701552076,350896.0960983989,271063.4003631072,329090.7455120673,303014.5121243289,268006.9375178916,282925.5667640241,303668.9555412416,259883.6676504606,304630.162320616,291774.3980506455,293035.2767572745,307053.2416327242,389345.1920001959,266198.7013663271,323037.2931080421,255635.2954678116,299026.2900057661,260521.6492262386,251994.5465908348,363917.0706772168,377641.7827849669,329565.570948571,377377.1659996872,348343.0626538421,389171.8144686517,319355.2625922351,345691.0069618534,315258.0459171768,273621.9876604659,320349.8696663445,346255.8766870327,313766.8113624671,305979.1630706733,308706.1045424195,309705.0198858432,317288.6062331481,316900.612813591,352032.5884522254,395348.0566656856,350573.883069067,321534.9092646583,327211.6037232946,375080.2136562317,322977.9350886795,348198.6400580675,272130.3537519671,250409.9910273684,1479369.14364462,1762557.885536151,1868287.240552741,1548920.32154984,1187854.489367092,1247741.733079018,1426747.048982622,1349917.274932403,1688982.329530942,1154719.825418359,1476396.850838454,1609175.928977147,1447331.37828743]
["Com_8187_pos","2-(3-chlorophenyl)-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole","--","C14 H7 Cl F3 N3 O",325.02336,1.377,326.03076,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},2154964.223182802,3288581.928332226,2523639.607557661,2628901.556262114,2205694.135584282,2420538.237809403,1932298.933823099,2355020.450169102,2839358.787799425,2186599.79163461,1740493.592139716,2260387.300136116,2226573.178435341,2240162.839750337,1725092.318145721,2380493.758350403,2429138.919793189,2291101.548317687,2172023.33456654,2414844.992689641,2204280.617266479,2332126.344775957,6387195.060090288,2396141.299780414,2279356.790217633,2491709.489423879,2246316.949677234,2015134.345389563,2335583.56312408,2583213.382920732,2370470.184290437,2852421.076630689,2707150.778558182,3571085.420353206,2385101.129427846,2767749.090157191,2950537.763517111,2714556.537074436,2141719.756817574,3534760.237244889,2540730.257542185,2694354.711394016,2200304.414603812,2854477.858398585,2982452.77701099,2351617.415119441,2549585.165184381,3098062.93749739,2475489.837449663,2923218.795454317,2919304.821936849,2567552.735900225,2685047.175842211,2458404.164327994,2723400.296553476,2968424.961342456,2491216.874167004,2980701.282951309,2076890.62565415,2037161.78105337,2810456.051271759,2157202.664591704,3028927.418177888,2347148.981551155,2496212.477673139,2153497.001763446,2179805.49812407,1983137.86127107,2267284.688152564,2014733.752731161,2168993.688941056]
["Com_8374_pos","tetranor-12(R)-HETE","--","C16 H26 O3",248.1774,6.469,249.18468,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},337532.2765221536,299323.5625488764,374701.4422438302,451188.1330870854,274772.3913612732,236825.3549306759,336955.4746649585,355202.3545828779,265083.5958384187,430427.62343942,274769.1634479943,305969.4631666033,373592.4967363249,328672.1562671853,252416.9610096743,334527.9255209098,404662.4296385797,335766.1686911288,276512.1281709249,406525.6974408115,384024.5828513876,293801.9383555188,520312.4215334418,310265.8465492729,386244.1771843038,245272.4200393224,268771.0647765877,310278.4962034507,395852.4902188306,365654.9771621169,338377.3027209199,379931.210470596,474671.3129578441,313356.3249583042,432022.8376884517,380483.0721652888,345586.2148042683,301629.6960338022,406352.1111646541,320672.5357977206,673397.281628745,404202.075667533,334437.3289513128,287908.2168990793,354618.8747964067,495676.5200402337,371367.7208981674,310670.0392414434,327333.0038111729,291803.8709160482,292565.6921954859,350473.442833152,304473.0992698209,730543.9365551906,358264.7282118044,329526.9503781618,325154.3577486839,287126.1502090964,1135359.35201468,1717640.522570255,1184667.957394425,1468208.039609043,1152587.627112679,1343539.334723988,1926412.597324422,1362101.683934033,1431481.321995446,1744268.276920425,1209007.434447867,1167108.871077489,1698583.79924016]
["Com_8498_pos","Methyl 4-hydroxy-3-methoxycinnamate","--","C11 H12 O4",208.07344,5.937,209.08066,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",1187137.987955255,630273.1963515966,678988.794915049,608371.0890473269,660260.6072286019,464160.7994675661,458885.3594909965,745794.1020076774,494648.9967777876,484591.0141289346,537221.7248571432,450423.8464262283,500588.3355349304,505528.5827480783,545271.1519133722,630787.2086264489,647681.4750524578,485495.3289760176,538680.3425540096,726136.1044054949,496007.9774279633,683952.0929706614,632208.0413342278,529007.3899137087,552850.4338269697,485428.2056676733,484898.8200576431,645440.1479040744,488492.8251109797,512144.4297141349,591288.9738731174,831490.1086956306,605267.7831168721,582907.2559430609,481067.5354208263,586193.1754458103,553204.5197607228,570622.7008111678,486290.6651322632,755453.8859762948,698179.8051995073,648352.2877073219,665941.9024296708,945201.066933644,627368.0313020801,575042.8289932291,885879.7247408401,637695.2002647525,698724.1027319311,633199.175145849,775861.3989031239,619863.4287816561,974623.198037634,673331.952077935,913687.511228025,685581.3084696498,557243.2023426982,578676.0031688596,4360804.11910023,4890721.718983336,3703129.153052638,5539619.461083777,5766971.468595433,5911061.509222793,6058884.12446442,7782844.872878727,7674407.726182424,4903323.922442562,7786829.240491373,9706598.520820102,9643871.949922536]
["Com_8622_pos","Sarsasapogenin","Sarsasapogenin; (25S)-5beta-Spirostan-3beta-ol","C27 H44 O3",416.32837,6.422,417.33591,"cpd:C03963","--","HMDB0030024","LMST01080007","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Sterol Lipids [ST]","Sterols [ST01]","Spirostanols and derivatives [ST0108]","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1285026.711593432,1042918.069333479,971805.7404339192,1014403.524326261,724519.2776798153,876807.5486691506,798757.5879442724,967374.6557255737,725411.580522856,906116.3370814776,840090.183299794,816917.4558368933,1139884.147536892,966319.0826467348,1211983.716528868,1106511.365337184,959406.9080414596,1125548.840420946,855470.0938455361,1066998.983688346,899256.2689478047,1054924.6355249,1567929.624052811,1094659.657418846,915597.135295154,886972.6259495956,895466.5239551177,1108376.926117747,938373.7735180624,950710.8559835558,1191756.913421204,1287575.420079648,1125214.877074019,1146425.51750101,1067440.01380195,1345419.940659633,1286637.280170635,1036529.210433381,1124703.947499219,760158.6573669566,1279652.30534314,898471.1837827313,1006449.508467268,1033024.342606374,993451.0579712156,1391632.810535268,1123544.925723596,1059868.976631585,1141889.111647152,1162111.432771711,917536.3388253571,1074110.40576389,763582.2764435058,1731764.451164799,958989.43914911,1199320.049377671,889400.2590453393,1072563.919773991,3032313.23689946,3374109.674080333,2363726.344813758,3068784.561510056,1939029.041150129,1650336.208722922,2771795.0035327,2821910.941391832,2340431.455746802,3172252.972503763,2708072.234053737,2623188.422690495,2146235.141235847]
["Com_8746_pos","Dl-2-Amino-3-phosphonopropionic acid","--","C3 H8 N O5 P",169.01417,1.288,170.02142,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},1389747.013166741,1315511.111280393,1156700.702175209,1234129.495686002,2481859.513372601,913464.6163921416,1345342.776451703,2512851.98545249,1235717.00084357,1330044.116350013,967450.4352952958,1971312.115926611,1175883.984640047,977069.6802715664,963018.138889635,1154806.991910675,1287160.563237027,1023038.101591983,1546700.900604919,1123756.384118772,879747.0094972231,988292.3682238404,1388956.246669487,2327041.134338002,1234524.092247257,1100508.527258203,1017649.132159251,1580078.789494823,1166285.188677082,1298936.345714707,1162360.191794394,1244476.630519095,1343637.736148633,2484428.555319785,1203047.073819759,2435349.273011809,1083644.412473346,1311265.22387964,1627704.525411564,1231141.852488995,1279579.244943374,1238872.273000718,1221561.695372261,1217291.096491413,1897128.767564893,5054397.817835542,1265942.730213903,1076398.867393426,1749025.588060468,1912732.73901398,3102067.276540404,1158734.09046912,1931081.886709382,1755636.56437292,2596086.476742626,1294103.170330095,1131777.99647818,1883352.502721861,1432397.24286538,1738772.298467063,2206186.793913911,2002088.059906592,2257494.222219464,1810958.699956489,1722669.229972883,2049391.424631942,1522687.118095913,2209751.866121168,1480227.083207064,1518709.288253783,2678834.982197068]
["Com_8762_pos","PC (20:5e/2:0)","--","C30 H52 N O7 P",569.3471,9.122,570.35394,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",6973069.914066626,8917651.48352343,13311124.8850849,8255287.790197786,11168886.398057,10529598.79010336,4799921.462393196,7396620.778861678,7694932.362316083,13207559.43434888,17784876.2025452,14637146.45267332,11862436.95589527,9504986.163342284,5823465.970318564,6932703.959175661,4715439.967759927,10231215.30966823,6728052.713616624,7776330.475325008,15053852.11861179,7788467.500580452,8591533.530096376,6768790.132903291,5680142.029583788,13254358.63077245,8508050.945011176,3559296.061263033,5997484.113232023,6007279.947004148,9323968.718634477,6058017.172546808,7955098.651173525,4355233.701044817,3837010.802090771,10179744.18720606,6835646.33707237,6677917.776591198,6276935.932473497,7353040.088031641,12550143.76765572,8321059.341842473,9710230.087879846,8970456.536788825,5429653.797494357,5948983.503875508,2711728.189554932,5106872.38667625,6654274.988450389,7065641.769663606,5759981.615714361,6414537.250324909,1882457.484994328,3950696.541487459,5377665.619809211,7632374.144481756,6354478.762085536,3287029.733738929,9081328.23492634,8637347.088433076,8029412.452857343,8580797.540216316,7105354.992795695,7698494.902969447,7609540.395814362,5803868.859098826,5835069.97348607,6291375.717091159,7477505.362823522,7643589.20904225,5979087.228687313]
["Com_8938_pos","Epitestosterone","--","C19 H28 O2",288.20843,6.505,289.21585,"--","--","HMDB0000628","LMST02020051","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Sterol Lipids [ST]","Steroids [ST02]","C19 steroids (androgens) and derivatives [ST0202]","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",300625.7096158323,410795.9108324176,287566.4095620989,321873.1530400336,329042.4648394889,231351.6798127399,262865.5680954526,298356.2282401536,302057.8102625918,249028.6525377984,300590.0093992798,249987.7597026184,259008.2275829693,421362.8724207561,242317.7251450847,315278.4725986826,404655.730457122,334406.4044845219,257625.0387331189,370273.0330935289,318519.2577174872,325867.3079925192,526817.7338425677,239352.9883958955,261446.1742541193,271476.0496013234,231018.8082439066,350300.884882379,295155.8634782201,258332.4547996489,386433.7244434224,365303.7690797163,445666.8604239993,493359.6274948659,403367.185918987,418543.6533527866,356583.7491775931,327521.8611754522,439589.5153612759,267557.9975170162,341817.1220693829,423598.7633941272,323405.415653635,331503.8559374201,356725.4142512684,405372.1873243926,308613.7113517749,410716.4875824691,303590.9371981912,382379.8303081809,273394.5187606852,446467.7966139686,288168.23626925,407371.3863076736,318926.9686886965,302649.0805763174,537445.209122841,257263.4111791601,3040771.09673388,2510409.443825136,1786541.451204714,1852438.721719164,2626301.726639761,2185002.782980253,1810831.459000875,2162054.461653522,1569104.718276904,1804229.011948453,2682904.444795465,3073862.446617614,2661434.919144888]
["Com_9090_pos","SPH","--","C14 H21 N5 O5",321.14262,1.386,322.14972,"--","--","HMDB0000252","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Invalid mass","No results","No results",{"$nulls":4},4602750.225764919,4221661.841040627,4151372.573217209,5488573.359410045,4097066.849186273,5402933.824664277,2708351.474553577,6907476.17343842,8658909.940212157,6177070.273673875,6461033.134439404,6116509.384100579,8165932.954287591,5106297.273966986,6662530.295318131,2585527.163438213,1969799.886330592,9723169.410306891,3780427.425042079,5584982.881305004,3334103.846731615,1377930.694271975,1154106.91821199,3778452.077650618,3515291.764091023,4626365.021711489,3056350.571980014,1813144.596015881,5483497.265125746,6068097.462650475,4130335.095875683,5130285.902267677,5115012.429703441,8402818.934526121,1180756.574509549,3149771.778792501,1629948.438119261,6097151.58744723,4588140.566442291,5391436.988824997,1455852.042016861,4382238.719635371,1325244.924246955,11271689.25133391,6687496.941224386,2787589.583469604,5256413.912601703,1744793.678053416,1480313.882207561,1657251.392217482,1647113.916180055,1821463.521013013,2955287.517407784,3465055.480251891,5125539.771888214,6427835.800255275,1360782.251112679,6800641.02584161,2276166.81832219,2278231.801008093,3004788.598784146,2584186.024943832,2345001.687397712,4171335.164879052,2785079.17866125,2815665.912297651,2672925.865816975,3544506.473241417,3079066.591688472,2896045.341826925,2325807.745719619]
["Com_9180_pos","ACar 15:0","--","C22 H44 N O4",385.31874,6.989,386.32617,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",137194.2086108331,114667.2090349022,135755.4066971028,138092.3006757062,111864.2353296115,103351.4667062947,100964.4336645252,105667.4583334331,155016.2643561889,157257.1987272474,111254.0454028259,119328.901509945,88840.70672429341,141191.203433369,140984.6598393866,215945.613471064,141243.0336667869,103187.6870662534,116803.8934806129,170016.3702667776,103444.4585393843,398458.2944487188,446318.0864620161,103934.9918154747,126987.4829567475,140948.7477345495,70780.62708312605,92399.78631474524,89040.82754861817,114748.4668572164,163829.4033043917,190509.9597008728,166567.7161747276,267594.5736686306,194213.8640169734,267529.4617469533,115836.1215028813,134080.4646610379,124674.8542311043,85480.44150233055,165471.6885163493,206906.0100312478,177939.8218885433,155268.8305900643,110480.022265124,108751.7138284576,141997.5903922263,171888.2654274293,144937.6496863129,369507.7043728766,243378.0064533208,108144.7148205754,95709.70930522896,175893.6349501146,367194.8299312106,103185.3348467266,87801.8185163546,128517.2572011749,747082.320061703,1169629.323860466,1135782.474784016,1032407.033312368,819771.3881193764,864294.3978540577,836574.5316532265,847079.6586345853,892826.4907218518,776303.4264094423,916169.583243362,787818.6155526631,1092082.627853979]
["Com_9200_pos","Gatifloxacin","Gatifloxacin; AM 1155","C19 H22 F N3 O4",357.15355,1.406,358.16083,"cpd:C07661","--","HMDB0015178","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",5151870.086131744,4253815.286932512,2101518.967545632,3067927.340088808,1860118.160405451,2076915.9698747,1738779.516095436,1195465.307201058,1823349.055231623,1453914.064156886,2392558.337318498,1660132.604862819,1189484.938014224,2321855.745196516,1733760.942818005,1513186.978381463,5068990.411966282,1215330.159960982,1889666.527068049,1418942.333679851,1287706.04508994,2286472.557355314,1159299.041409004,1743024.961683587,1222857.917620255,1020322.068140592,1118982.41768192,3425301.946084105,1098206.835263374,1772498.368858523,1306976.297791944,3313713.001202713,1689933.004037492,3556024.501197026,1123986.410422699,3018804.474513222,2068600.995032082,1290860.213993956,2565095.778674862,1312506.762063923,2767413.699675431,2934443.447569188,3042295.13718002,1774305.066922833,2151185.066672648,1906333.253767951,2042828.619731751,1836963.597939156,3632736.409533696,4249615.104466085,3569683.016590106,4710355.509314918,3356881.030301681,3979883.464564762,2709857.73643071,2250891.357378881,1709648.452227415,1217381.513794472,2446190.13001861,5298106.846285504,1984102.787958563,2846794.002404684,3100619.155562016,4809727.111514101,3055455.443686689,3037427.938809073,3759204.157405182,2781975.208269804,3509012.4317872,3675608.126046821,4087803.61284436]
["Com_9538_pos","Noroxymorphone","--","C16 H17 N O4",287.11891,5.828,288.12613,"--","--","HMDB0061073","--","Benzenoids","Phenanthrenes and derivatives","-","--","--","--","Invalid mass","No results","No results","Benzenoids","Phenanthrenes and derivatives","Not available","Phenanthrenes and derivatives",1503375.767995368,1218012.413309859,1476372.852829411,1399517.517911181,2035423.552124613,1213582.793539616,1582891.744312032,1392457.519907337,1262204.435259141,1408306.824176023,1177136.790036981,1403175.476037882,1129838.69487419,1627572.263958455,2183470.505248978,1179005.932770441,2237451.601467002,1488762.096710479,1879347.123566355,2298146.034481492,2153025.833449993,1889047.157053173,1649514.6707007,1794836.379151728,1202071.314152917,1062865.221765589,1541707.307252131,1446420.62346807,1659226.876090583,1735388.088160869,1719399.607667611,2323756.896108661,986901.4634340652,1664378.52120346,1489262.456131829,1173223.515890901,1432993.259979884,1046752.9192251,1384274.930608641,1007468.615970388,1568966.50400951,2496918.132199149,2256487.668616689,2445313.109504415,2014527.862617747,1380710.861759291,2759249.374193246,1618724.931622924,2069202.346577915,1346925.492116566,2514654.91678075,1825760.856921221,2970066.132598252,1370814.524514583,1941208.542915862,1301411.314015687,1282429.011982491,1169856.976085419,611516.98017881,572862.7827395158,630812.9422481607,535671.5573385804,660983.46804178,590267.981387891,628586.3116382717,529748.0733993591,478638.4991644405,399609.9748119473,463362.0140980481,474377.0146337649,580482.9136665532]
["Com_9750_pos","RLH","--","C18 H32 N8 O4",814.45525,5.027,408.23489,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},4586357.646748643,3601204.332673735,4469124.273278907,3929785.62769786,7851493.626740887,5944533.744793532,11214964.20129836,8127146.931102196,6158160.125176776,14905963.67544159,7030217.642489543,5955196.851172737,11597436.57496695,7647589.100590739,6912150.278896119,2246507.249523738,2272268.323288762,12246632.71760309,6037084.98120808,5904365.662261982,13557561.56680208,1021591.090591985,2003006.451797868,4909677.855176163,3074037.305204783,6622229.988283331,5717802.555185318,2203509.564416694,7686056.240576407,2802343.811271313,2590401.637805982,3135940.82493616,4491927.428116503,5858430.870142668,2485973.658026508,3425324.064239959,3555482.58143821,6138881.552964985,4889460.488693039,6585862.745247407,10781875.84281671,2710505.810858256,3090700.65856203,6299739.504006953,1151711.769745647,3405052.763462716,2358829.43696439,1075851.603364831,4514835.845133513,2568381.183143814,1270733.900829345,4148396.530131264,1529747.093401584,2273411.973412711,2777363.998755861,2729526.586837393,7374043.884735758,2397597.724768958,4590641.56008669,6682081.91967626,4832440.485603705,6114021.392144804,5724524.479593104,5778557.689009973,5158027.228822575,5318123.622592007,5673394.818414646,4963420.722258504,6508547.306262461,5015764.597611153,5468669.713805545]
["Com_9904_pos","cholesteryl sulfate","--","C27 H46 O4 S",466.31218,6.271,467.31927,"--","--","HMDB0000653","LMST05020016","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","Sterol Lipids [ST]","Steroid conjugates [ST05]","Sulfates [ST0502]","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","Cholesterols and derivatives",6418322.004725129,977405.8952385256,5166071.032200404,2170190.730510023,6237326.640105564,13948273.12910036,8379376.642475591,1950538.324169577,15054633.84713314,1727044.106020399,4887556.256864207,1395145.204855035,10756364.1944202,11970713.04791047,4112126.212202911,5021522.618774589,451095.6454884088,4073464.831457727,4022200.539333704,4045920.108125305,2020363.891555378,1265411.024278052,933439.0823070632,3049209.176267765,5815851.492277577,4381654.052357102,652059.0182947876,2922701.883197741,7149127.252814905,1737759.887692587,1046226.248973688,1636997.298703266,1335884.70550726,2246648.207671389,511335.6880849379,5174030.755760424,766617.8637836536,873870.3029302536,1465909.856934851,532789.0891878736,3985483.169083274,9136228.36666678,3005206.544287149,3247439.855934179,1689345.287620379,1683950.805321059,1274941.842341833,10574564.54927266,588104.4920541834,881663.2414635291,1151906.13211583,7079647.98306894,7905812.208939246,2955102.506673373,666127.4873754367,3623247.316090392,575108.7340733951,2862869.639091339,3632449.16107896,4272131.757070172,3179482.115566022,3716157.771277233,2388415.875013132,3805059.392472664,3762307.263695369,3680030.327771675,2704111.400340174,3074163.757857727,3085197.239113976,3071470.322813382,2731830.950942557]
["Com_9946_pos","4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid","--","C12 H14 O4",222.08927,5.411,223.09654,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},4102728.927789017,4879655.662579379,3182344.986829991,4645916.157020581,2993297.787704186,3779568.558642809,3833279.920641426,3301995.707066655,3142625.552590763,4128728.906246257,2956512.135047274,4099529.1120368,3464890.524929087,3702402.271406974,4030520.102198611,3765085.394363545,4290811.891921956,3626845.529731333,3005165.447735428,4987554.004331102,3167533.355459157,5495363.598172782,4077826.814902972,3764979.989453634,3631550.83430056,4285223.452371498,3992221.604273915,3497099.375037876,2838827.841342302,3709341.366317805,4974183.054909955,3588619.641055435,4633531.458020057,4254986.666209579,3774615.104398332,4729783.481304044,3980783.206900398,3464896.975941866,3769918.043216222,5033509.373959116,3160243.825741186,4783800.118740273,5892523.756270588,4595088.844455358,4319440.998120307,4273774.512372915,5294279.853187353,4958502.589603298,3933940.443611293,4939285.279981325,10479523.40705914,5008399.285253181,5967951.417655633,3590151.279827416,4751615.855923266,3937928.402657093,4891623.452159383,3683062.502422937,3272176.07342931,2892425.470528686,3374801.402357908,3386151.873178272,2830957.824204237,3897476.284620938,3037713.441745697,2997004.31669338,3312212.714809114,3508407.162889921,3898272.903631831,3782447.643339725,3711707.585825081]
["Com_10039_pos","Vitamin D2","Vitamin D2; Ergocalciferol","C28 H44 O",396.33891,10.737,397.34619,"cpd:C05441","map00100  Steroid biosynthesis;map01100  Metabolic pathways","HMDB0242614","LMST03010001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","Sterol Lipids [ST]","Secosteroids [ST03]","Vitamin D2 and derivatives [ST0301]","No results","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","Vitamin D and derivatives",28538.86217968718,47997.10961836266,43722.460231435,30631.54295557945,24974.71112515695,22553.55764390242,14967.01208770313,35577.79801111086,23151.95097677901,16899.35820164603,22479.81790015537,22685.26713360679,20060.23381623925,24278.45454418694,19873.20126711768,30079.57492520484,24640.08168094876,22857.73844050796,23310.00262364651,31039.92858289427,22931.49172640291,26900.87283589408,25022.28459269587,21191.24059342724,22404.91690062061,19292.24203652085,25335.47548378645,23944.33394014165,18131.76322757778,30501.99642064153,35358.4289438414,24578.7567527434,22224.45440102874,34963.90026910387,44577.93232143998,23420.40625974519,30711.10328997547,33566.07180709887,25243.5774616968,30558.87099460875,32974.3799693919,24058.6548861156,29819.21184136607,29225.3951132572,39334.07554027272,32012.91004679596,21859.16667935149,26145.97691493386,21541.31306294986,26062.64569149588,24302.74166080361,25370.69329030006,23100.76439369751,27127.08474264983,25128.39592787436,36314.21686695089,19089.64376598587,28332.06244409359,814913.558915154,773382.2758863452,1322018.090343616,580791.3310928195,669257.6255082292,956122.6419551,677208.8378621124,905979.109090929,622689.2920148298,997233.2617545796,698816.3976037792,763989.6367843518,654452.8204956276]
["Com_10239_pos","Leukotriene E4","Leukotriene E4; LTE4; (7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate","C23 H37 N O5 S",439.23927,6.023,440.24655,"cpd:C05952","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04080  Neuroactive ligand-receptor interaction;map04664  Fc epsilon RI signaling pathway","HMDB0002200","LMFA03020002","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Leukotrienes [FA0302]","No results","Full match","No results",{"$nulls":4},688722.0851125927,484978.3512269834,457504.7326422099,437739.1552127452,404223.7224262108,382156.8182522924,547773.3108015289,368606.9012525224,508506.5691863372,376430.0822639008,351598.6475850428,430959.8416165563,329225.872303315,490115.2444187789,415399.3712017845,567106.4746603912,586687.6824558538,441707.411168613,450881.2356529103,897294.0676464442,433427.6874530008,807529.3267595993,566282.781101731,731653.0704024743,557720.6936812754,441359.8413180602,455479.5444928887,556713.4259356781,420349.4485937794,821890.2286421248,388155.8095553848,897470.9524936263,449566.1235659736,449830.1344513401,538726.0394997364,706135.1761865271,446436.9560424713,484365.0493373761,435408.0328886317,365592.9331528047,496744.0766691892,546947.3157493969,558363.5663715659,498549.9026743113,540987.7225246615,512121.0643794402,980497.3704511533,622274.8032653241,560807.8369900798,784912.1985209807,990142.0390643608,1082220.960256261,1002775.254679877,637039.1827041996,849366.4727968051,494808.3458653712,517057.2461628975,780532.1712099069,352333.152239638,345164.9447100317,324561.6953816744,403602.8075493595,396294.7240264543,422734.0597013236,352152.9092572104,505053.6384971998,250519.5620826913,551324.0001824154,444741.5960435252,346169.5864190827,358392.6157821171]
["Com_10354_pos","ACar 10:2","--","C17 H30 N O4",311.20961,5.44,312.21689,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",577814.9774225068,592084.44642364,500015.5052669695,462171.726435567,445508.0269468174,400731.8972613741,477808.4041263466,368608.9709194667,424140.4139570589,491163.7095890964,472006.4601530745,454578.3599767132,409708.5571873772,436385.6118038934,465799.0933838128,504472.1160605361,568316.3355740254,443184.607660695,432668.3071075599,589281.9097930457,534426.4804741361,573046.1191650295,539500.4383913999,482542.1655637973,484357.0023361206,497709.1647221879,399023.9727071037,479107.3007730192,408998.3228245956,482096.4812633377,647618.8247951911,544968.0509231818,560696.164123928,617384.542886085,596253.0743949242,657094.3087149649,461615.9312283545,469382.5880381942,470219.2043610025,457121.4407437136,539461.1140344882,613509.2366113773,628716.0159913171,551897.9305367905,626085.5777971346,577060.0946895847,611792.4201862671,544415.7861539463,562768.7495389759,553028.3555338115,888736.4135583545,564271.7754100213,616246.2850303589,549910.9643344617,579290.8128022029,559021.1448776044,534755.765626446,529215.5696789203,423265.604208816,393320.7219692796,395571.0454381845,517975.8411052271,344777.4486392593,330832.5709182932,358309.325166391,358184.2556782346,391638.2760795989,361640.0530971603,519432.9697516894,320306.6401303576,502585.0525350312]
["Com_10394_pos","Sodium Dehydrocholate","--","C24 H33 Na O5",424.22215,6.965,425.2294,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Bile acids, alcohols and derivatives",236034.9209223969,214219.8381481845,185234.1646672791,225631.6572103201,212848.3209407991,249100.8603776252,305214.336898994,196347.1513399873,378673.7317311333,220242.5824012665,207843.4087662318,198455.3881787673,170592.1933163766,323159.3706618208,200697.1042423804,240350.4007263721,224573.3593812336,193045.8569261084,218211.5651640098,181602.521607996,193253.6367819734,215251.5626613865,190060.4952389892,194170.044880633,237236.4189797268,277805.324669956,214842.0717722317,192886.8749887805,208554.3326359857,215888.3249820189,204167.4182060323,287423.1665423938,231017.1091965137,222798.951557612,191390.4840648398,230813.4861099323,222922.5932228928,230848.4135148945,232915.9950723709,188824.0782054069,282190.3949836113,274879.5070188086,243038.8516632978,272954.8062170693,204172.5339581328,238833.4615692864,265278.1129607524,196822.4621680858,225275.6435984294,201668.5020593666,299033.3364274252,253629.602629766,302862.7010395255,248499.2718215171,270320.5681441724,327967.5984408814,164030.2533740471,203346.1130488098,2724103.53082485,2781178.900889392,1901025.202708337,2749060.082125327,3248173.271064297,2641175.346076079,2802468.572835974,1602642.492958657,1375344.803360488,1521942.474713927,1433308.075444333,2314032.044348293,1874721.857867573]
["Com_10483_pos","Traumatic acid","Traumatic acid; (2E)-Dodecenedioic acid; Dodec-2-enedioic acid","C12 H20 O4",228.13593,7.981,229.1432,"cpd:C16308","map00592  alpha-Linolenic acid metabolism","HMDB0000933","LMFA01170002","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",261651.7494191177,145708.9297953809,191640.108447653,316310.241670303,187493.0158724607,147786.1786804663,134740.7158262404,164467.088252168,144534.1425888695,165871.3394181899,155254.9111031035,159895.8892522744,139785.823270562,156853.5526392233,119165.4675360383,172072.6156514273,202989.2385989774,166605.5940350649,124227.5562589034,210975.8159676608,183033.5378066245,175119.2679834997,229181.6440914598,149432.7405586837,197144.3739729629,154715.6221995668,142307.128791989,149143.3218252193,134667.1769808448,208801.599865171,267367.9567691721,212357.5476200734,162113.6691463343,187387.4958057225,149590.5959684163,233023.6160107933,188970.0179865797,169630.541096458,222047.0156425524,181581.7888205639,230740.4966911343,202171.155522264,180929.0553471853,240240.6913966292,223587.5794960611,149252.5454541689,161549.2097174197,199017.4186770793,275067.8603135176,207498.0203384178,214358.6037777745,195953.1756966524,176891.0564064718,209317.9452277048,196285.4055867326,233444.9503004882,175780.5108341755,137365.3332781278,297152.480175484,309746.4987476764,320077.1815933401,186862.258257682,340619.9790700583,247820.3045492552,213876.8211971189,220094.5022622889,304470.6674904285,384221.5106172778,269949.3856275295,196256.4395145731,313517.1922080705]
["Com_10963_pos","N-Acetylcaprolactam","--","C8 H13 N O2",155.09471,5.651,156.10193,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Lactams","Caprolactams","Caprolactams",2583220.091968019,2142983.180566964,1658058.219664954,2009063.565966087,1535443.569812827,2005940.141409673,1775080.092060228,1749782.440486143,1660233.505376807,1858299.636688703,1703160.951655544,1738865.898917892,1699398.669137919,1828162.210252964,1793648.107043933,2136063.305992656,1849532.179110872,1872630.096788971,1672956.050889111,1851167.668458387,1695467.909457194,2183600.299588699,1923985.936673112,2058200.228657562,1738535.921479277,1481132.30788771,2337125.050335668,1842913.990168542,1810241.096692536,2433377.427251036,1888016.259088266,3471776.559296079,2173122.501486671,1850656.934006693,1610677.786078939,2250362.92657445,1644956.37586785,1819090.17880158,1445815.674748993,1624674.856663749,1846424.860521606,1919843.500864033,2218201.139402536,1594522.768273249,1777225.720079712,1630973.565604916,4038941.365107856,1680097.494843892,1971867.913035707,2009843.093273822,4710434.227468776,2075478.955184805,4880329.058248081,1812275.176797286,3928157.020036204,1721199.63140469,1661259.472141041,2096031.705897018,1839913.36692759,1922887.665108381,2051232.577864502,1795083.918100476,2662051.433737037,1692775.847964298,1628333.786227148,1821177.119472532,2281357.796437788,2052922.228649478,2469524.366052514,2338548.619422897,1953952.021971289]
["Com_11297_pos","H-Gly-Pro-OH","--","C7 H12 N2 O3",172.08483,3.997,173.0921,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",460451.2137874564,369946.5223648008,377550.15533308,388525.3003731797,560023.5698217646,372586.7913708375,485571.0219136918,412081.8187425495,472655.2931893002,449751.465543574,432445.4892488206,403435.5166027832,502998.5165390634,433936.4315550444,432662.1399905263,495426.1321484685,490624.9513632815,731877.9138808774,455002.6382786392,387857.7321946336,432888.5143654901,410903.9816019521,536201.7752165303,389780.86230836,499008.8322608925,529224.5504887113,557615.1675574811,652357.0574643874,472573.7498920562,607326.17926237,508377.8612849882,491660.7857541292,405805.3380215777,726171.2148368484,438259.5129259726,639476.4571709824,531408.1652949472,593074.3104253941,579930.4406185569,590448.7723009301,423503.6109801629,414785.0830958445,475748.7560041429,479055.3674414748,521538.0282846616,567936.9812328969,579199.1186075306,452644.3958974055,393120.2865672071,539210.0097099136,500380.1376473949,467641.2640630768,512396.8731657788,649775.5540462587,628685.7455019891,588358.4258256286,575231.0850012763,540906.2544912263,783700.211851218,794188.8154736322,744879.8649540105,842232.6851829735,1012470.813222094,927731.9551989088,1036207.814409694,782604.6969907747,885274.278325583,1132124.814582407,1199768.4571651,1285893.173935313,735375.5628784089]
["Com_11350_pos","N,1,5-triphenyl-1H-1,2,4-triazole-3-carboxamide","--","C21 H16 N4 O",340.13846,1.931,341.14578,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3743891.018634687,2655323.161780392,1847237.033039271,2870085.852729891,1791570.83985764,1782860.901550095,1987153.861102672,1716628.703644215,1833432.371531076,2109166.935402549,1714900.35439219,1747250.055179132,1855924.250216299,1813180.685547402,2736552.640178588,3777969.493375711,3335733.636306449,1716393.696494929,1641203.36161422,1970734.747388274,1847594.37594762,3229900.33821072,1743529.966853972,1714224.582113982,1602672.016157686,1679335.03139192,1885638.016018464,3408095.815134688,1626584.017085795,2066101.540487626,2721866.473162158,1849723.299159476,1986921.525982129,1914811.83961301,2447988.502073886,2178486.23935072,2653173.027416492,2319298.770465665,2139414.217001717,3937635.400941754,1793065.890061983,2411931.200408943,1765901.988724326,1855014.348220401,3865900.143130026,2475651.380583632,4940139.574339976,5009732.230001364,2011652.99289593,1818643.330414451,2712736.54235114,2175901.271931183,3395001.967225083,2112248.792685017,2054181.988060301,1800184.25045405,2899651.474929952,2535758.793254878,2139724.74677898,2623632.687528732,3578394.673988223,2840530.541606929,2092680.791868981,2293432.754304326,1951233.623296015,3286000.693130158,1923225.173485338,2021532.595800106,2998528.656905138,2386294.580016732,1956376.072595148]
["Com_11435_pos","JWH 018 N-(5-chloropentyl) analog","--","C24 H22 Cl N O",375.14588,4.905,376.15347,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Indoles and derivatives","Naphthoylindoles","Naphthoylindoles",1738317.99367383,2521693.33602594,2020090.184859059,1717349.006638821,2868960.577200589,2044200.504852525,1677010.821974087,1529416.429362998,2065795.219741733,2599846.788087196,2086826.796741026,3500369.851072605,2820501.662638429,3330084.054682104,3850732.03409977,1725550.187226378,2646740.56965753,4223425.586624114,2477636.003061472,2047041.945406222,10345772.92346928,1985891.262200742,3997354.617686303,5408832.588797435,1290801.052449278,3090791.626784243,2807164.529073607,1933860.912349981,1536666.218580606,1707228.340033178,6262253.009544501,5610753.410285441,11107535.72452729,9366229.113971451,4048502.09707295,12385520.95842699,13145598.58603035,6758907.311619313,6015196.453528183,6638277.580453483,1490550.859402355,5563226.133628376,4587067.104195533,3851255.133202699,1694568.109937179,2099641.132951521,2187682.180161209,3750208.777044078,4757608.043255317,4466529.41728365,4799483.17819898,2421493.621971539,8579511.985015938,2421174.177126192,5342516.453181374,3854873.309534218,2966269.449284885,2218555.627712332,3332509.81978969,2967739.93860805,3103297.67593774,3729235.732099614,2808255.089138028,2611801.375748413,3098007.298998184,3031117.705258377,3068418.580435456,3385816.734249156,3102333.317988224,2640153.566495536,2938204.986008617]
["Com_11605_pos","Ethyl chrysanthemumate","--","C12 H20 O2",196.1463,7.101,197.15358,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Monocyclic monoterpenoids",641595.4578923631,675126.6425493594,511266.3699571486,484595.8852409282,619243.0130733243,546951.727252255,644347.588147779,456301.698818534,435469.5222826289,627165.6213440484,674413.1690268891,621271.5187140565,524421.4481177632,581865.8687233862,463217.9391630301,648352.601267522,652155.9257461745,675226.5335714628,484627.2078809005,530277.602756144,561987.9578133359,576898.6231086948,639507.0380167449,507022.972765829,590715.7557494706,694372.4262259662,665453.8782749438,487344.9584189689,573594.7451137322,702742.3823860491,1122502.649207164,652387.810268599,805144.4446062292,1276836.002401607,640016.8147347127,811444.2043943866,612028.451892078,626184.8926310778,791411.2536112724,701453.5411536382,887214.2439149098,1029961.385170939,708939.4204118734,583903.7789072605,922629.7795406271,706877.6849684595,800659.8910171199,650566.9602026129,1359695.27399168,900151.9241952604,848496.4397654643,660445.4913921725,918910.7573882032,652731.0400147,712118.9585096237,770099.4614392066,1053213.599390091,706712.3775568451,1171495.03334987,860542.4603038115,1046452.414223533,1119415.120020682,1012851.776270518,1099483.16932364,936416.4219633668,800496.0700450852,690849.7294559722,748241.7484035641,1044450.803763716,1066315.737655525,878642.2046686164]
["Com_11691_pos","2'-O-Methyluridine","--","C10 H14 N2 O6",258.08509,4.059,259.09232,"--","--","HMDB0240328","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",1606839.613605221,1471236.269751262,1469413.792721004,1704228.637602559,1101134.154659966,1299889.691426421,1000331.267541342,1159025.137836155,1200886.815723107,1245689.234141733,1159635.007983775,1166051.12720096,1090155.134772228,1109366.970826571,1102318.364938646,1536691.13682245,1665742.877353472,1067360.489777504,1253331.662525841,1262361.463051198,1536802.529675649,1565177.194866929,1385053.895214866,1190058.722347073,1251008.157484228,1172238.852695164,1240980.275058118,1415222.176130095,1133186.670132527,1458223.147574374,1419949.800552528,1524989.295921134,1557545.064015149,1419670.346759184,1334344.803767505,1732961.365234474,1199664.07334088,1593147.45988295,1698916.125137028,1179007.365782658,1940280.61479883,1251565.586525831,1892827.172160872,1521993.7602808,1597242.687749044,1309772.445739926,1480329.658780464,1490900.969866002,1562654.693854855,1459915.26291309,1800270.947148452,1880460.383946267,1558482.303615128,2019271.330576136,1709464.319879967,1545467.665830753,1874566.103186262,1206559.112598943,3013148.95610637,3235430.170050228,3594823.571213133,3256269.975374545,3375458.719354391,3074632.599731608,3886694.253730676,2893667.195023834,3910910.006267572,3157006.14119237,3612392.879376524,3904535.434150785,3647318.310929616]
["Com_11786_pos","Vitamin D3","Vitamin D3; Cholecalciferol; Calciol","C27 H44 O",384.33885,8.008,385.34613,"cpd:C05443","map00100  Steroid biosynthesis;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption;map05323  Rheumatoid arthritis","HMDB0000876","LMST03020001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","Sterol Lipids [ST]","Secosteroids [ST03]","Vitamin D3 and derivatives [ST0302]","No results","Full match","No results",{"$nulls":4},92413.7948818952,79696.44331395098,78583.08549124784,98844.00607767008,82445.18203248912,91685.52520295056,84992.58493909249,78682.60665345055,95844.5888662758,70793.68604772982,73028.31533092893,88404.9348548234,85398.1578161608,87658.69869800498,78323.26871521684,73640.9614085819,65731.55662424587,60591.72642768006,79308.85357955648,109166.3518649591,80100.12274511745,86549.31322689122,109036.733117898,101869.5730901864,97104.07887556904,86082.12543495669,82257.07033241863,80612.0998158585,64404.30871227763,66268.3730565521,88715.63299655452,98368.22944159608,108894.9556711391,155126.7336242452,127711.5762245976,123040.1453613125,97043.5546960416,67629.77993062676,90398.26155299568,77858.95378233455,93789.09304409048,108557.5518419606,135542.314626855,91113.60287471177,98803.23230365016,82793.27616141924,97464.73701982242,77637.03784219525,85185.37451311717,120042.1360368001,101975.6669897898,100394.0715773477,74259.8139335192,124042.4998290812,94542.3298651821,94558.93613880395,76857.83826694752,74954.14231619933,904845.658783956,1133166.394728702,510567.4637086588,1120916.933142193,731462.4800858028,756228.75116709,1121728.025319665,894724.1215418036,978182.437440774,922337.4098816526,735094.027347794,679255.973348982,1104167.523268624]
["Com_12123_pos","Aleuritic acid","--","C16 H32 O5",304.22466,5.982,305.23199,"--","--","--","LMFA01050101","--","--","--","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",783514.610878013,610121.3181904152,522484.8663535991,516171.3628576125,454633.4008867695,449325.7399462974,606145.3457946139,933183.4775129708,497748.0329100862,472366.1874064129,456361.4824157817,409389.5039102428,446004.19181545,549941.1446797476,517025.9473721521,599646.7867169315,688018.0749143447,486739.4446039229,460528.2196476952,590454.8449348985,538774.3459920331,724396.6033863348,585229.0614584651,745094.6652428394,677986.3468979753,470054.1453714104,456089.2569769084,580096.9942772172,510992.6712447585,746782.8456431585,523383.3091512718,1029991.219476576,465093.0997399689,505863.3424792699,589749.2928441069,858404.5991889542,508596.0124166605,610048.4809302505,508826.3306846068,460966.7765065595,497275.8243966725,605760.2033546515,632278.3285557418,584957.4776337624,585542.815721914,523130.5552976222,1191929.648418503,603719.2017597591,638575.448052682,954168.9238718027,1203654.071977095,729714.5350546214,1270674.663348972,718220.765840919,1032521.974876217,656975.9037568425,697256.9881992316,733174.9320194985,1366966.98763534,1990195.583160952,840307.5843410775,1448054.503295315,1384499.44602219,1588903.045557526,1691614.139593066,1530931.241645131,1912742.146722035,1356396.150900406,1653411.107971025,2065673.846959216,1397734.805735142]
["Com_12329_pos","EMH","--","C16 H25 N5 O6 S",397.13452,4.933,398.14182,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},473322.3853210514,509189.7884965762,552659.1415247013,436707.2231851822,359039.5182233022,487017.7685424444,691826.5741442568,615437.6186198181,672964.3095486754,358149.5558895761,382530.3619599006,611353.0982938403,421832.647213918,519489.678021061,433305.5659324579,936191.4853298048,416602.8187999998,528428.8952855957,1629205.746983979,627943.2679028257,412031.6367276731,529230.9094956199,295759.6439634733,799122.3386764738,1174962.956625653,833786.2659635148,354140.931520354,647219.7103159553,863480.3952488238,466940.3636348731,639212.9660653921,470280.9897781475,1186020.096379151,1030748.929419865,1571922.062169824,950401.7158758114,852520.9492288901,1260212.545438349,867252.3564121936,892936.8075409394,439445.1682031602,316466.120655968,423247.2527588269,597387.012599213,610850.960961375,505210.0963100457,984912.9639499856,1154548.886818825,437824.0039696767,696456.5019002192,412228.0354609221,774680.7569207685,533791.9859261,1041845.6095357,231020.2709301872,831020.8475888344,334464.9760135968,352247.6386400856,3724059.73339811,4400492.554799804,4527408.769715977,4636563.496670334,5445992.475691124,6424893.714890422,6692605.211683741,6508376.760364316,6751907.42354488,8446262.935411943,8851091.054492796,9166355.77849011,9862493.416501068]
["Com_12453_pos","1-allyl-4,5-diphenyl-2-(2-thienyl)-1H-imidazole","--","C22 H18 N2 S",342.12509,5.212,343.13239,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},227184.2606000415,227293.1511238141,219899.0430268053,231086.259615762,189754.152890417,196514.9805673746,175707.7331283526,226446.9547500019,191206.5838896577,195897.4575268798,183879.237706413,208394.0628413736,163992.081395834,178004.436178864,195606.556125651,175136.4877195685,166388.8039682686,153869.9655600424,177248.558330207,221118.7326041877,211373.2424864552,212449.1745305894,188145.2089945356,219628.9303301494,191798.2402993986,208550.7671008089,174947.7425427736,204294.4223350957,194061.9602956042,154365.1542895577,243362.9311453798,212663.1039847253,191888.1282180537,188088.3378027434,201631.8888323367,185776.3780402264,191541.6883002464,181542.7258902162,155140.718249414,163122.8529161696,216232.5268340945,189988.5969741347,198455.6611602484,206046.6228300741,191614.6377580849,190223.1983995357,182253.7965708426,181479.3457371294,198097.0153152941,173874.9509848009,176938.4161959077,181429.1255623309,171032.8566444508,233578.809269719,200820.9571735288,207809.5711711204,167400.665564596,154231.1411659326,889320.016094935,607111.1197861548,590218.597352362,933112.8377475148,694044.1973931604,706853.5347170595,498939.7507570773,996435.0631087784,637660.0127172546,798688.7029943235,814942.4885964897,978373.742560992,619973.5189590052]
["Com_12454_pos","4-Hexyloxyaniline","--","C12 H19 N O",193.14686,5.141,194.15419,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},531516.5533905148,504201.6679621941,477735.8541678417,508943.2614435785,455642.9155080324,386443.2824021855,452042.1959829463,458374.2887721256,391323.5798389319,512993.6726836292,456763.5838544858,509992.3360083391,419267.6008868175,454342.5748192288,507334.6878837867,429498.583587424,372720.1029072521,368284.5311400401,440546.2420154323,521964.9802422665,423374.0848833242,457331.4257321315,382466.8822405012,432416.1905897571,463212.9798139501,481094.5710888334,421670.5997362759,431986.0177174399,407443.0327560636,379243.1379126443,457696.1696436737,459075.8803546795,427057.2212363309,417665.20989154,447049.6059670602,380812.127381194,409144.635472399,388036.5172392106,401475.0901247273,359474.6614607804,511636.3257746669,400384.038293722,490181.9421378278,400134.6004452122,433655.9577155862,420640.3823346372,424361.2935512523,403865.3281375737,486733.9248894025,404276.1366824729,390721.2415799922,377006.0786296618,368771.997713517,504892.089710483,459893.1770938188,432667.7864443039,342303.8330336612,364425.711752968,855187.325143124,917990.8951830284,854439.3442490626,831087.8340889073,1219681.61663861,1141269.578609551,763567.3585658389,963756.555730396,1276178.889054537,896573.6337672728,1294535.159007847,1094198.423918697,1271496.202060558]
["Com_12669_pos","1,3-dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol","--","C9 H8 F3 N3 O",253.04092,5.463,254.04822,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},994756.770327576,861227.2179927926,683731.0461429453,487537.654270249,957440.6592311544,494524.0793044276,1280411.427146109,339852.9075817494,932799.0232439992,1379098.782397708,748361.7175407071,1188295.396806645,517946.973961167,1236695.016889853,857418.071741715,1257632.748697704,961631.3272852884,732911.3066032043,616027.2453016171,809246.4432864084,854184.4260795066,1835588.971609927,1205048.337516522,943163.2299351968,1209714.178188871,464981.57967386,879905.8852223493,1134176.478590041,713973.9518607114,1239012.848251465,593674.2778582678,552486.5703746476,810873.752207866,556213.5639119998,512997.8193042628,600640.1602381748,519821.703377737,616313.6875704871,513338.0422490315,463428.0057581049,836600.3387862636,646466.1358819758,547217.5845511603,1118564.309730494,570682.1657803855,790353.5875882579,984000.5027027077,511645.0373427213,571389.7317210484,1649844.896629519,3500423.08394697,1672930.70407327,585366.9007318493,500989.406078957,720015.67950211,538934.8896317286,579119.1186159842,1230235.050042095,869364.587831011,708477.7666241308,923012.6829219476,766396.6445516519,873412.0612209929,677634.6671184304,602294.1514669065,775787.7594896158,515556.1193590568,942733.0183274256,724443.5227057385,985570.335084882,747154.3748533891]
["Com_12791_pos","geranyl pp","--","C10 H20 O7 P2",314.06996,4.771,315.0773,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Isoprenoid phosphates","Isoprenoid phosphates",607959.6871625095,451862.4428226839,485844.4174743768,592656.3106960044,501928.1885723734,569624.9110853897,471058.9518120189,284327.8150262417,410489.0709965961,583428.7619176339,365263.4578498926,659786.2331501003,391428.4350892965,443749.160378192,366180.4950165532,806482.9187326197,564598.9029343318,430926.1831390999,772018.3218252114,447174.5683138577,374649.4988896664,331348.5601707409,1316009.885694981,315039.9058679015,477803.6923619248,400588.2495356264,482834.1061669698,694433.3259220403,453872.0888342775,403901.2342226272,389221.2960577379,471282.0755443019,409390.3337527915,270006.7708232088,469709.7160945241,615508.0046826673,415456.2815611429,286812.4389053134,246922.8197424958,507627.320394958,522209.667342354,355897.8895821524,628884.034392291,424526.8232661529,346327.8254517326,377761.18785846,527621.8058080376,581623.0295790916,306562.6969164584,350424.0091198202,379534.2977053812,501338.6277402832,233525.0856660569,317536.5970737645,300748.4264198573,584135.5802217509,387040.7574547565,527356.8884248665,1757939.16610646,1505345.614192378,1554207.595434533,1696571.488963475,1321966.691483079,1749306.528306657,1818319.8362345,2098776.661061619,2165401.39333738,2158021.549307837,2057770.729664271,1903074.525372798,2209113.253205059]
["Com_13000_pos","indoline-2-carboxylic acid","--","C9 H9 N O2",163.06332,5.503,164.07054,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},4111903.688119792,3648135.387718241,3039307.073174066,2651447.207184067,2880021.317953312,1905892.129402352,2513031.31751721,1836775.213921602,2139339.910868154,2868503.938025593,2108108.997805348,2306840.733466979,2325763.18755548,2155817.481519299,2066829.486803249,3538785.444377912,3201969.697610063,2036465.654708506,2196134.386730212,2395886.710804997,3043540.740307734,3069349.684798005,3475136.009459631,3206630.848160611,2292768.779207004,2092900.637669,2867349.277296885,3289238.653481494,2843745.671079359,3631289.07948711,2426386.515177503,2422272.40897626,2468794.298451283,2865478.797188655,2044020.593759452,2957401.104419034,3307979.464258585,3193950.824309217,2556211.351651008,1802397.040572262,2393952.099135471,2894643.552230365,2537932.135860303,3124898.044276769,2123681.446375405,3354096.654314522,3201715.284313731,3307396.293422606,3197212.46121229,2867022.640945576,4243164.417061418,3617783.958391557,2231555.474050917,3445355.461034723,3371124.241760359,1994255.017741594,2988636.574870067,2674985.069274276,1545788.01534132,1536368.06927984,1490636.036437611,1453921.321239681,1730152.906458267,1514528.542114654,1512492.364771442,1276264.813329087,1138951.970146047,1284852.292750076,1335919.276798357,1089162.501028656,1165586.335167588]
["Com_13046_pos","N-[4-(4-methylpiperazino)phenyl]-2-phenylacetamide","--","C19 H23 N3 O",309.17995,1.218,310.18723,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},690029.15624867,545765.2484064286,409254.327286645,540574.6842560152,2517842.356758181,728762.1554091192,343337.8227592032,519017.8108288205,1592393.255358851,642519.5809911024,511827.0068061567,780892.2196746339,327111.3199578839,1616196.905218071,3189920.457160346,555699.054242919,3693795.377767878,543310.3489523521,672965.5288340938,405969.162089537,3890656.24815577,1461066.864505447,9178553.57663044,1142919.462318333,387876.2122434772,450876.1678908835,823810.9928892571,532745.7235695743,613852.3264305057,1767126.736253573,4447530.442934805,2811089.467244448,1454618.464372629,4992541.093554209,1658683.880700311,2613555.471630643,770093.920402085,955555.803310048,1173973.943616215,895510.2001005922,1289071.526834646,3941267.914216139,2710924.841207039,1564626.991110649,877262.8951056973,1365014.998235209,623724.2292166799,1002896.212595522,3106661.353975895,1702531.291412114,2393617.403027548,1072470.596265483,2924986.329839332,1884307.31701594,6704265.489417425,1697115.991228046,3626957.000490888,3743646.1952756,2466139.49768135,2375417.766756965,2036257.08478878,2373026.865594374,2285085.280844464,2698656.45291954,2528606.076671996,2680678.881917471,2664509.876511454,2822058.409668297,2065237.883567046,2264086.740390317,2423657.035345888]
["Com_13329_pos","5'-Deoxy-5'-(Methylthio)Adenosine","--","C11 H15 N5 O3 S",297.08895,1.281,336.05219,"--","--","HMDB0001173","--","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","5'-deoxy-5'-thionucleosides",910826.734139574,1177901.104457462,2028970.516206112,2353968.877066335,918226.913286008,773604.6387175319,1441298.586549906,932065.7691297388,1147011.643110661,794792.4210634895,2868309.668397747,1136612.712116728,888032.4175201112,1146634.042530769,1650800.341666255,2509391.353844032,2779843.266457549,927213.773296385,2932790.348032802,1880884.694924104,1174808.949254979,5483264.821483127,2131580.197871029,1516970.812708185,2498148.180247848,1086598.55657912,1395701.745799129,4412542.730837045,829588.7814147681,2223415.195525828,921529.2573388626,2877864.018123502,1406965.017824439,1368454.606144701,4082342.690509322,1173024.922690843,2158997.549548352,1254500.423336694,1061819.899474761,2188755.222551268,1039344.467240886,2546182.843385146,1893914.044685625,1217965.163162616,5140007.938467174,1037646.923297183,4319930.775138816,5186411.589779668,1419553.408051277,1486093.214500893,1756556.256595525,1282408.779600144,1511868.284295779,1395580.386321773,995914.2315113572,2087466.254206653,904772.98416549,5021250.208522075,1369099.07938426,1623745.436320448,1122309.601327526,1433281.237853127,1521739.973046266,1373798.238106037,1527134.738911548,1728438.680262182,1576477.663800699,958423.7547386396,1523672.771818133,1730355.742445468,1054685.112557129]
["Com_13547_pos","7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole","--","C13 H14 N2 O",214.1108,5.559,215.11807,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},4226384.859921813,4629549.400345547,3223474.014040425,3199495.144864931,3207099.771924774,2958574.265308976,2753672.231655267,2934755.860167622,3791590.265360728,3115095.231948796,3412960.645981371,3495548.338041628,3427614.49765362,3139085.884832472,2943460.411457578,3203936.645080696,3255619.233607701,4088097.006661955,3079278.942625348,3920694.292334664,4232074.207150909,3410262.947849623,4881851.177530907,3670777.021563647,3915727.266108532,3986882.154214353,3748568.054524386,3530326.406108918,3586524.558061504,3506535.890620891,3438409.959246146,3565524.763902588,3888040.729460563,3397242.204056863,3137897.272897009,4752631.677256987,3489535.651119758,3762283.241868494,4014334.000960567,2865998.767068908,3405426.786656434,4025031.159941419,3628854.03586189,3580673.620596901,3351327.723691188,4656379.289732276,4924091.595923965,4371751.612165613,3411787.488858086,3874353.299647712,5900163.072675156,4676843.554059015,3333963.244525317,4115082.251100399,4775270.412791642,4315100.878329674,3428053.157014518,3349626.483967676,2350532.73699555,2232072.474113421,2091960.875359649,2073856.193395267,2405795.129625516,2142302.891802723,2103135.94317606,1844164.264127682,1754811.607949086,1831332.473110694,1857609.277016737,1725817.802884832,1620759.597511262]
["Com_13775_pos","PC (4:0/16:3)","--","C28 H50 N O8 P",559.32707,7.255,560.33435,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",1477695.213030304,1337194.262112577,1709461.790423058,1034920.276547357,1609391.814011454,1822586.323010403,1070211.775585676,1161857.50363003,1066611.508753807,1081843.082675083,1409939.063581245,916474.7828524278,1001642.698059326,1123632.777513963,1816600.132983338,879215.241060038,740221.9717658736,763995.2518988936,1014138.189085342,1957653.704127545,1245475.984568,621133.0509283657,1080740.157635508,1009294.907004184,807722.8995815399,1227455.554740777,1126628.239143373,622344.9774695557,942975.8439337852,669681.5554678784,707584.6879038921,1158787.506366752,1036601.565860757,968233.037574395,866251.4703830081,1231279.811808434,969593.8460190836,993289.6018662392,700556.0643248172,845435.0722022448,1700610.808396654,1401338.422583007,774167.0224456871,1186505.171248271,621335.3351366466,871525.0821368293,557688.6343854117,758288.7883153688,910460.6576918352,1024476.828055739,502359.7631494169,617454.9531405022,550778.2328014629,1161411.568606176,872736.4182362673,1052342.473883101,948794.2756897368,740300.9461380875,2185811.38735804,1431224.62319112,1210172.555398496,1412145.125715498,2061922.896315693,1353288.613076269,2333481.710449227,1561757.48204185,1069845.026001118,1715179.707336001,2008612.565001099,1643508.606124687,1182349.751211423]
["Com_13842_pos","3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one","--","C15 H10 O5",270.0526,5.654,271.05991,"--","--","HMDB0029521","--","Phenylpropanoids and polyketides","Flavonoids","Flavones","--","--","--","Full match","No results","No results",{"$nulls":4},2281306.79092096,1892522.475284827,1464273.016466928,1639216.918466481,1159076.9611295,1161080.646672487,1567617.982314661,1407491.83329761,1466194.066121999,1436656.49003996,1350242.384250718,1515562.144611903,1500781.809664857,1394792.451028108,1583591.102386109,1509342.414703942,1622259.773034032,1218471.904766294,1273176.233513142,1634812.83933886,1426602.626163418,1928392.477124788,1472228.288014134,1396198.034607129,1426907.353445099,1170459.080878457,1565834.782587772,1627523.807950766,1523340.787804046,2148976.955901708,1558748.671342443,3066013.409352345,1653052.395099877,1634361.796868017,1422430.161019706,1919130.065918667,1452702.447888255,1354031.618149197,1169438.758374921,1149833.444905637,1630624.346075034,1695462.198379651,1692460.49704143,1408163.257497955,1423772.126979079,1252211.493352031,3566890.948626996,1483736.456027892,1570942.255394323,1774943.107491107,4159903.224941356,1817423.682910648,4309941.633362024,1600465.899402081,3469054.500418234,1449235.153932194,1433319.163489813,1591064.343922046,1569769.28832563,766878.2336345111,1110657.655375238,891470.8135488658,1143466.318534696,943962.8381982476,1004787.166690424,745455.5316417058,1132384.103331034,664546.8290164174,1015686.869163383,968282.0032883557,1097875.169233275]
["Com_14024_pos","PC (7:0/8:0)","--","C23 H46 N O8 P",495.29585,6.023,496.30313,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",843939.0696050564,594277.7026617104,583949.9544458598,585976.8351567365,529520.5937203337,468283.3273545206,671224.7338442022,451679.6716954433,623108.4644498067,461265.9594692918,430838.2755996675,528085.0659980807,403423.3580823101,600572.2951463341,509017.7394111697,694915.0040885523,765704.6092347914,541254.8104339591,552496.1355886951,1099516.825408432,531109.0891333293,989521.84551027,693905.6750855173,896545.3916120643,683413.9538997284,540828.9089235546,558130.763209985,682179.6786783612,515083.4135037761,1007119.257347944,475634.3086114574,1099733.57471354,550884.6372861613,551208.1481852276,660138.483105414,865276.5411302812,547050.250694665,593526.1812029247,533535.7441231579,447986.4469697121,608695.0643197158,670212.5846611517,684201.7105171602,610907.8685139975,662909.8806096545,627537.5567880614,1201471.618894688,762516.593932882,687196.8452982865,961807.5053207608,1213289.902106482,1326120.608077279,1280847.025567325,780608.4148811001,1040787.810207479,606323.0787410728,633586.2036251262,956440.3532377144,775651.768342624,588157.0466172837,491067.2238846136,734840.4781767768,710522.666972208,540409.9960591784,693447.2972654524,584897.6991234297,700028.6685338563,685064.7096926835,987763.1334193322,631540.9441716605,662125.9462938036]
["Com_14129_pos","L-Tryptophan","L-Tryptophan; Tryptophan; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid","C11 H12 N2 O2",204.09012,4.834,205.0974,"cpd:C00078","map00260  Glycine, serine and threonine metabolism;map00380  Tryptophan metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids;map04726  Serotonergic synapse;map04974  Protein digestion and absorption;map04978  Mineral absorption;map05143  African trypanosomiasis","HMDB0000929","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",1401054.272361483,1463481.980886972,1349350.613361181,1544400.047478126,1363570.497746094,1239351.217036447,1338591.5673198,1306450.671150314,1201497.683070115,1462551.711570034,1320170.047748322,1463851.336235387,1224895.242110961,1383473.706485354,1390010.116273968,1087968.16993992,1056417.539014628,1221500.930511853,1397445.480271243,1410597.965055461,1300994.854944867,1074114.725060864,963646.144976166,1265325.194865159,1316531.387533556,1309387.148549351,1265837.15093655,993968.5617578222,1134004.149224648,1063546.596063706,1050554.899900894,1070910.155107702,1057415.596738225,1013358.0911585,1322417.702464911,880629.2801254569,1115043.534653842,1020418.440129516,909379.7784222264,1182817.419881603,1428815.29610283,1295720.965546312,1329949.770092619,1256720.771208644,949153.2551407162,1196373.462063712,1126896.376291081,976529.2484895044,1198570.528806626,1042624.077470101,1013751.487816734,1081270.304370294,920828.4602491712,932859.6244346766,935543.3124506396,1024894.120746019,1097450.457127794,1100826.259058103,1748774.32758202,1632536.241897392,1607936.169427544,1518038.226200752,1899989.945516393,1609851.144579442,1908987.95853365,2417581.798494216,2180096.340086078,1472882.923480758,2053267.518266428,1367457.126196562,1908201.679157855]
["Com_14463_pos","Ciprostene","--","C22 H36 O4",381.28735,7.599,382.29462,"--","--","HMDB0250270","--","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",1425086.734415644,286509.133542902,250669.3959103904,1962478.66187168,49260.60607276327,72454.18005738418,64413.08206675149,46393.27506391621,270518.1262532867,131694.4529547601,59392.22712441643,40749.37109892102,73466.24156036145,730108.185260036,181093.947887481,2148189.258127994,265234.8563846676,53257.0729507462,50624.22270748792,61497.75698574236,71558.33695573735,165849.7020043524,52537.72721736475,57847.40396626332,62806.17795431261,46210.64680328822,38143.07073824372,58806.81743451679,41788.79823446889,51310.76327833624,58283.94705711927,79858.55953261038,81332.6610830066,63165.04037711992,131522.8287417466,57970.77787350725,477863.1158550231,59129.61731110048,48240.68991581014,50785.14518497828,62249.31630020462,95193.02433364,93197.53199358413,58697.80237832903,104506.0048188527,64837.89648004786,90297.43832723486,143679.4754621566,57544.55163156307,57573.96100835948,64176.45440653765,62683.41731120531,77483.22650528954,70806.81594972983,76156.0696545581,64804.60659218581,42753.14125987263,55271.8826720613,435511.449024688,539044.862179444,586433.5966811294,521244.0003834954,513726.574366143,310048.8245788708,465969.1011884534,453009.1354814187,573898.8862469117,676862.3384365942,467491.5165333301,388283.3624559706,475599.19658049]
["Com_14481_pos","LPE 20:1","--","C25 H50 N O7 P",507.33235,10.48,508.33963,"--","--","--","LMGP02050046","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",90896.20809621533,102457.3738838319,283111.2111329927,102185.2417670327,338757.9792683184,325611.8446727773,53935.04186302223,256059.7242794402,286406.6584927073,201391.5199189948,188942.8361974657,280340.5545714862,95941.31905455864,240284.2989299508,151665.8242138422,430147.0992715814,130760.8465488062,222422.1057632546,215090.7907264026,334906.5669573331,331552.974184958,69413.68765965164,169591.8837106904,252570.7457698277,225600.6323461286,281113.2022782253,175271.2578751338,104537.5083022201,278613.1461933741,247658.7827955769,176961.1825216846,305153.6481305243,245920.9566629353,284717.6232066821,181915.5118959606,29677.47064948502,235394.5571863796,1495941.191520399,196484.21834682,822861.5812817079,435625.2288608649,101750.8198695375,142693.0861464448,316953.6337481196,151038.3642788589,144187.1659024426,146097.8924016085,171135.842152427,100055.1525262989,62444.37286854415,26118.2848937086,262657.5566629738,17276.90786690028,105190.8168058092,17640.96764500987,182273.9309353465,187400.4940126138,128744.3552949999,2063425.48030043,1458008.10743852,1835767.810823983,1712247.669680444,1660550.218094223,1573481.518980033,1366747.934778279,1615550.967185258,1016783.704445321,1259347.556379913,1418866.6972605,1595610.228365983,1220677.933919336]
["Com_14759_pos","N-acetyl-L-ornithine","--","C7 H14 N2 O3",174.10036,5.501,175.10764,"--","--","HMDB0240589","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",4647790.814354462,4123581.540478989,3435407.190473428,2996999.178239713,3255362.39221818,2154279.040576747,2840544.127404493,2076154.407984773,2479800.109042815,3242344.00056953,2382849.983565139,2607481.591109233,2628870.12911212,2436776.113453134,2336190.687382954,3999980.478597175,3619268.951116493,2301869.664663892,2482347.351476993,2708132.556432808,3440192.613651452,3469365.129407751,3928035.880330751,3624537.56982849,2591575.698191916,2365659.581769647,3241038.857760841,3717911.303234186,3214359.092745811,4104539.723697477,2742607.272125136,2737956.991753376,2790541.883562285,3238924.605841325,2310409.207169581,3863346.338275206,3739094.5251163,3610205.011759936,2889351.633910649,2037295.871786807,2705945.814955153,3271890.2808345,2868690.164749512,3532152.873119686,2400451.923909717,3791221.974731697,3618981.381204493,3738435.352076211,3613891.724092631,3240669.652266643,4796158.202438705,4089274.53692863,2522384.720241065,3894374.158190789,3810468.696086098,2254157.892783224,3378133.019082572,3023604.630971619,1747244.07076951,1736596.462727828,1684904.366247065,1643404.776521367,1955636.463300134,1711910.68177399,1709609.13799524,1442595.042586496,1287386.793647465,1452301.692109114,1510024.021564971,1231108.472274322,1317492.303523808]
["Com_15024_pos","Lysope 18:1","--","C23 H46 N O7 P",479.30295,9.695,502.29218,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",694518.2518186889,1177670.97562885,2032465.084068618,1247232.982292463,3781722.339228835,1224888.603523204,560473.4489871494,1566205.044625123,2076349.237173249,1376804.661956569,1373388.543330503,1716466.012112252,779470.4614124044,1069089.75728238,377736.4598167928,1317152.080833231,1787751.248502775,1628851.564712192,2338261.353992202,1619133.282204079,2526399.662694632,1199172.091181119,2172050.255119585,1522902.496597445,1948774.199851002,953979.4913633292,1635164.259662264,1367968.277834733,3036319.562902516,2122552.938028963,1861837.043641741,1299363.339723079,1900830.972142829,1813035.132785286,1364507.151849941,814488.0485707666,1685019.44053588,2876566.665725304,1350718.964141941,3214140.981870192,2290182.396031676,274197.8854335679,1794244.580876828,1195544.422674287,247718.7859392472,733877.9940886764,861226.5245349607,625052.77625974,904512.6509329176,796086.7334026909,1261587.925796065,226408.4412257536,527925.2264074963,723804.897890918,693026.5754991176,1688251.557232333,1739853.38234238,861749.3963086867,2094451.69267879,637538.411078322,2212457.162423814,2291611.259185277,2157671.074109203,1796875.997745448,2002418.419216602,1970217.338657182,1771159.778839133,1996456.254806135,2204444.187714795,1915712.852831332,1594695.309844494]
["Com_15288_pos","2-(2-methyl-1H-indol-3-yl)acetonitrile","--","C11 H10 N2",170.0845,5.154,171.09178,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},525922.3365006257,530858.4472829947,475626.9421276023,535850.7253993049,479732.4285333928,406874.260626901,475941.3415583858,482608.2075362417,410320.0467096436,525434.845368834,480912.3458088001,536955.2637813066,441433.9772067779,478363.3397682032,534157.1077130671,452205.8645997214,392425.5465083831,373975.2950768115,463837.604778029,652698.4699528512,433825.330162266,481510.2090778523,1900637.212292728,524335.2279977862,487702.7166911333,487457.7517082856,443964.0208760141,454824.8075820323,428984.2526688685,374531.7889998606,481894.2367374985,457268.0468377488,449635.4291781285,439746.868952791,470684.7969014317,400945.3904925851,425821.3499338678,408551.7286431386,460135.1578900096,351824.2454141663,538686.1701034316,532372.7017101195,516097.5086440253,401989.1830061654,449294.820402945,414498.7273435565,426303.1589399588,387265.5253071929,512467.1972051483,416454.9859981588,411378.3924276722,396938.1186827003,388268.7078344306,531585.3711322328,879564.8120447225,750383.9615702049,360401.1903365863,363788.8291370994,827408.137112346,431055.6381723439,401949.2969161832,489414.8764286322,638223.6401132743,459897.2299084518,391797.0815774756,375020.4710955068,433076.9319188576,387541.4390316986,453490.9337176853,361293.5751649594,412656.1339111181]
["Com_15346_pos","LPE 17:0","--","C22 H46 N O7 P",467.3008,9.893,468.30783,"--","--","--","LMGP02050030","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",76500.31446842162,83916.21184908331,150746.817891637,51879.08956337926,256185.1552572628,115079.8013112195,42696.95287663768,135551.799963792,86282.9341987234,97028.20535108156,163664.0623714946,196353.207639302,106422.4445237176,48433.7601523624,87870.4170183021,111370.3264961263,29795.66626935928,120718.8251987134,192633.8519902858,54009.12784654724,139821.4628431103,42063.11851627985,95309.61641349144,71272.19995408077,118167.2441364553,145752.5718709446,86473.57085749465,56678.16865836498,159139.7475776632,94822.26722580608,148298.2030742557,66030.84856157182,69342.60851258885,131515.4828816545,83410.07469856503,20133.57137499231,100648.1970286196,315601.8483135364,76113.79837972963,123284.8567688084,272068.4175579253,83223.6079643141,114666.3158621919,96396.97839292114,84746.37354354073,59295.65087762645,89204.96834997035,37560.79148544416,59187.69695637176,36816.16215474013,24588.68888743746,57754.57135623716,13822.36610183097,22495.48087457878,11210.84871439728,152636.8047088784,101422.8424576178,59383.3766184633,1320096.86035666,1279485.252907836,1566281.829241053,1513425.634335742,1523384.238262367,1195771.251346057,892736.0036975822,973711.5412174424,686671.1682186403,1265044.170469468,1231165.490586422,1118975.617580262,1099396.333947936]
["Com_15611_pos","Lysopg 18:1","--","C24 H47 O9 P",510.29732,5.226,511.3046,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","1-acyl-sn-glycero-3-phosphocholines",224534.0077364058,222300.1097200864,199431.74700372,228289.5639447134,183985.326342617,176545.9688910426,209007.0556680118,203256.3030396237,227443.1774378605,233023.0439011661,194193.5271042431,236971.3803100349,195071.1074302816,211739.019331674,189129.24170814,186990.7669461473,197922.0458562623,183030.6946931602,195402.3844251988,216104.3257291635,212514.5885300913,219151.6430444224,212553.879305022,261251.9964291327,200439.3972456104,227208.4317112928,208103.035157365,243011.3629117537,183183.1413966481,183619.7293162423,251489.3541214952,252966.038669447,199653.4727343841,223733.9756749634,215316.8401919051,220983.8639173121,208364.7763141835,195327.0504465637,184542.2745955301,165738.3543805735,236431.1111614317,225994.363236441,236066.0665370508,215812.1687234569,220780.1593505742,226273.4252464365,216793.6989874129,215872.4777888228,219562.189709877,187024.7439318444,210470.9721378825,215812.7401171626,188122.7130224736,271953.3753750079,197437.9912285026,221105.0440742436,199125.6708147471,183460.3186409643,256675.439811183,249750.5845268896,227235.0145709823,258606.962556903,221834.1826683517,211350.8390764013,220100.5938494127,191031.0298062871,179484.2300553704,180970.5537089496,199450.383346728,207933.477473289,182495.6148235646]
["Com_15902_pos","Bufalin","Bufalin","C24 H34 O4",386.2446,5.614,387.2514,"cpd:C16922","--","HMDB0249428","LMST01130001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Sterol Lipids [ST]","Sterols [ST01]","Bufanolides and derivatives [ST0113]","No results","Full match","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Bufanolides and derivatives",1230215.105792011,1269298.798027401,1152771.022655664,1197201.352777109,1026241.368140057,903802.4149827145,1055806.116557,1029940.870542829,982048.80888476,1734917.018169742,1041155.149745297,1132809.702507245,1126905.06739882,998619.6136246878,1094660.610896436,1382378.031735746,1329950.531003527,1022909.856264127,913839.4371026916,1751418.819891203,1162443.85252201,1366932.338557089,1304405.479633075,1125657.325713603,1101611.905508902,986591.124448289,1197828.258312731,1135529.658062209,1271907.581276237,1318941.889202291,1385170.479986917,1926986.004963586,1810090.015381319,1281209.348782691,1329221.381034437,1767997.4496765,1357569.465457657,1270080.062492781,1054605.09482126,1117538.814816571,1332428.499285642,1131906.662240512,2021049.166876395,1246866.613965816,1085929.824839862,1129986.413568091,1945124.695345502,1044621.380726066,1531995.765548728,1329566.940425515,2425757.862555328,1361037.396991143,2640364.806238246,1383188.202577221,1202006.347505566,1054239.613902051,1212571.639880295,1291419.289379762,726947.386861946,751886.3358359624,698080.3686522372,686051.3502567806,683241.0136409976,669999.7097294539,667018.5720739849,647953.8130356808,632678.471317103,569894.7924150642,685184.8508170744,543380.2403577291,531611.3074605903]
["Com_16322_pos","D-Phenylalanine","D-Phenylalanine; D-alpha-Amino-beta-phenylpropionic acid","C9 H11 N O2",165.07883,6.277,166.08606,"cpd:C02265","map00360  Phenylalanine metabolism;map04742  Taste transduction","HMDB0250791","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",3034108.720653335,3166375.80645502,1769064.990641791,2462538.265998465,1919152.861040902,2200660.855395851,1401069.503924393,1900025.937972703,3129249.821383162,2121354.711232801,2437289.498268988,2801104.627821837,2107160.493796684,2088712.974701356,1753108.112107146,2482269.754082343,2425284.789309515,1874886.091716415,1684007.035273159,1847509.579372408,4649176.990098408,2326906.098491335,2396587.460301024,2779395.143194049,2081291.192841646,2721961.473655094,2465998.069672437,2051299.66328669,2310647.311859416,3695042.004140618,3270480.456747265,4189003.473756008,2816356.0665821,2903571.773625342,3853282.133783103,4839783.797608969,3030451.404434977,3362243.883259356,3452697.962292339,2822682.953933546,2701061.246324008,3323252.979777161,5317279.67048171,1960270.873261797,2075665.277426228,3586490.235029206,3093599.33028689,2948687.081948911,5338604.781578011,3560330.344059192,5221661.030212777,4241982.411143498,6392758.077307423,5965471.720358064,5602828.114729713,2660576.791998184,2831073.213617853,2144911.92864493,4091868.02210939,2556473.832544184,1677426.367007957,2088944.845627843,1529767.498718769,1908206.819570349,2140524.883775851,2288448.686480477,2724469.29717426,2311998.482915597,2630360.630817664,2513778.722755755,2497546.418943421]
["Com_16389_pos","4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate","--","C16 H19 N O3",273.13228,4.043,274.13956,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},101531.8401396006,87858.8721767717,82952.28497227229,85563.78840047227,78264.46420443333,75430.82239407474,75998.4947183405,71714.50645277383,73356.83668282142,81807.65526992928,77520.3917710161,76248.47711440102,84997.1658868332,77731.92048767391,73098.07941567778,83517.0898147566,79420.80486448806,80326.82314112425,67879.12606553343,81268.33066706453,81109.86203998704,85553.12671546411,89382.43233741874,79732.90479552338,73326.2536856578,71136.79547692901,73138.70863902461,79731.36302483412,78044.56802393612,80336.94059065497,102941.940567833,97058.98631754029,88319.5025194581,93825.76577821236,109377.3190347865,91250.3468474937,79020.00658125179,81202.60830789636,85250.17376483796,75597.83132560967,98142.89789984695,90105.74059626076,86527.88508546705,85649.90471432795,98395.19998257614,107599.8512381023,85305.84285649906,78893.45591380211,92986.61178937732,91148.80704046448,96877.09856389376,83430.51899423981,83936.41895886623,92666.3060038226,95987.14806174838,99145.35081288582,82594.77223563392,72473.70042328248,762740.480211869,713922.9421446281,867839.8258300785,680209.9959018468,842292.391678086,742370.9469969093,608009.8607984977,689781.2203756751,955631.9951735836,1088070.606756145,887166.8563106753,766266.4104303363,777739.9840046101]
["Com_16510_pos","YLH","--","C21 H29 N5 O5",431.21753,4.918,216.61604,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},653447.7435817412,484573.5831473185,860312.3919229736,518306.7955505153,484605.3251897077,414825.1665778058,462210.0980514927,502805.9561575893,447921.9447291994,419644.8255969356,445726.4418934825,516883.5200289861,460548.4635926101,498597.9207888274,548678.6408009302,349411.7350210036,604704.4440124905,389002.2564134087,540831.1029665085,596918.6711963642,442255.1508332502,412073.3071976881,377071.2783187713,441501.8355592232,469353.6848207411,494889.6218421396,416902.1838383109,359079.559618516,408503.0354748273,410128.3623793683,334200.0264298939,365873.5325147,362307.4921864581,344973.4122450133,445939.9870695126,600780.669285677,368118.0782955318,541377.2207620346,349224.8579073382,398211.2759919714,474710.1636102134,344769.1852984155,422404.9726683236,421433.6614029818,306097.5962744998,455527.6629660336,527397.9364303186,322845.9242183508,441199.1523701526,344782.7114285574,422346.4649988464,356710.6699286876,341175.1854821265,446326.2888269595,346295.8808460294,414287.7680278532,378537.1161246487,372608.771424269,1450292.76205283,1769496.532551543,1365762.906698239,1153940.141748883,1145438.923980832,1407792.1203655,1096417.851551535,1945849.705270807,1214781.694910644,656603.6066577358,1657455.848896634,1381118.416949961,1398225.258053216]
["Com_16622_pos","LysoPC 10:0","--","C18 H38 N O7 P",411.23696,5.384,412.24423,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",1459682.4294996,1533160.961412699,1105993.64042033,1496353.16058138,1010535.114466632,1197818.476045327,1266626.685299742,1039247.905782308,1216187.477559957,1451992.370527021,1004861.172096414,1586506.532997988,1030129.433483567,1141315.137694994,1312021.464398782,1153036.249801653,1660532.444668377,1046848.096213571,961705.5467831276,1614278.288696685,1225826.729018699,1557084.360126233,1509134.799110487,1457036.939275983,1397128.809391165,1658369.733875554,1544978.821533348,5442355.873908177,1013441.201596963,1061198.357110657,1575784.392797897,1341340.536435831,1793163.977642351,1646668.180484482,1460765.702357835,1570473.025231502,1186518.327376826,1340905.635322002,1458947.952551049,1272530.294870619,1104556.831856983,1851317.537581096,2280390.547226634,1403930.11309622,1356005.213649945,1298808.736762504,1413603.936706267,1322843.98625175,1278092.262612056,1581724.339775322,1873489.084029107,1666734.490321435,1641397.817948809,1321226.852284501,1559800.301567052,1242240.45911591,1893044.872161245,1305091.926026386,636548.178897518,667214.2212445679,582494.3669062823,597663.2732388778,603621.4969832293,577835.3259193887,544977.7574823063,468533.5377981982,464578.3304995021,493110.4099227522,503485.1928952392,509738.0885686997,408633.5225981968]
["Com_17060_pos","2-{[3-(2,3,4,5,6-pentamethylphenyl)prop-2-ynyl]oxy}tetrahydro-2H-pyran","--","C19 H26 O2",286.19292,6.368,287.2002,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},376285.4350922577,211538.2052568227,301820.6254001436,278307.520317123,177640.2349767746,185696.321140576,183862.6632831751,216827.9896177598,191630.7609096295,226944.4962219798,216689.7434965009,209156.5997367245,286438.1608334478,221192.275497252,195772.62516796,191689.2387648037,259691.2825138069,214503.1316577333,191410.6010436643,229040.335067518,221067.9867192565,262709.5109108976,229402.3589290358,242380.8221694284,195622.2489933645,211255.0722801683,254775.0048594823,256922.7910365008,213596.6471473461,202908.4252837872,268552.6639388326,255158.5536280582,264433.2060953035,291681.133196066,280192.8595131877,329970.0842841603,268346.3897470422,237613.9250503335,321536.9038256324,308703.961447133,295801.8730576661,273228.8082991745,200219.9856560724,228475.1685952492,301744.513906852,278082.9356462978,252854.6530393903,314431.0301585953,231301.316011124,250935.3626357728,269191.8611968139,226283.385154195,174148.7451741417,346088.5306978947,296209.3533988041,241660.643996944,276227.3685441024,221236.9624939065,798997.754243481,736147.9940288977,667323.7417098952,479504.7246622708,307375.768179428,488536.3170440414,630680.2953964085,461922.6474578784,537721.0413916863,750364.5665405835,617791.6617917032,894307.0315126455,658327.5700694888]
["Com_17121_pos","9-benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-one","--","C19 H17 N O",275.13672,4.055,276.14407,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1968409.416125062,362974.6415263565,2410563.761108404,1035668.478849804,1939891.123895198,3019955.101423161,706410.1461360197,1059033.618368862,959934.8195031076,4302210.03981028,1458363.283434765,809966.1668520996,1034893.008769716,1654143.696339089,4203462.549606027,754175.3248717939,4406153.522943279,3027665.519084251,1720545.853026655,955806.6751217808,517191.2785137718,428844.6706324711,541283.2668919992,436809.4696653379,384462.4373100486,1327788.553044705,848750.1732881357,603366.460959485,535915.3773562617,378702.4833066491,1574149.949928357,714255.8572858443,774816.9855677147,1098236.107460956,1246910.648123147,1151007.266067653,672925.7815632813,684964.4559362234,1516327.190112341,2129403.818063193,1430379.977931926,2884816.58222991,2842146.342339308,1536987.644001055,578810.3955938314,1305004.349109353,575023.6589363232,612932.3682527662,1165648.656256035,853214.7881990825,955083.9650040304,2696974.432045472,3766647.476625387,748568.7271375117,2120638.458671088,980598.6694600276,940702.6302065492,3246303.574680905,1064775.51123703,897142.860662879,907294.6024304804,1022493.240415947,1318994.32007679,815566.3693535504,432973.2516574675,1055174.916126704,782236.91078058,699117.005537889,999579.4629712284,520080.1257336773,681052.3941494041]
["Com_17454_pos","ACar 20:0","--","C27 H54 N O4",455.39696,8.403,456.40424,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",23331.52725651341,23636.41320533498,29462.58912759618,20412.93305641333,32323.92538490803,32374.28394458373,26066.79684924674,24735.29786244472,30177.89206149353,29037.21974203809,31473.87309883324,68877.13097663982,27822.55416374745,25914.56160319161,25077.20175681513,30302.47928045428,27253.34981144392,25537.54309225604,33194.65431726968,25299.65236669212,36972.22186067377,26213.24257209972,33577.58576058879,35946.31935957661,33915.56659221675,38531.66890681357,25401.64871931077,45175.72536725392,31234.07690004129,29907.95835223103,30890.7600570557,34090.87941878139,41726.71727015626,44704.69773399635,33613.93608453272,43999.41767597374,44668.95638456501,82169.24350306662,42003.17341708508,28571.3418804114,34489.40567758559,26349.03106627579,27514.67650686383,28595.58844728201,30951.26458247938,29828.7460511873,40721.37557543811,56894.37853641123,36442.92853951362,35473.14692668006,29076.70688249673,21821.50139893882,24035.71177030164,51682.50771899163,41102.79293251204,31847.77538011603,21781.92151535579,40008.04478653486,822373.516386608,697319.931426197,441733.7852560782,747969.0675656762,719984.9059404418,945548.1814530924,943482.494475309,647520.5334613527,768854.3018234809,732050.6218526103,684618.3239288294,627004.8846297441,752235.1885405116]
["Com_18603_pos","Orsellinic acid","--","C8 H8 O4",168.0399,5.227,169.04718,"--","--","--","LMPK13010001","--","--","--","Polyketides [PK]","Aromatic polyketides [PK13]","Monocyclic aromatic polyketides [PK1301]","No results","Invalid mass","No results",{"$nulls":4},358002.0268363721,562861.6954751316,692172.573442445,264901.2571244861,462155.4437844679,300829.123885886,284159.2010048045,185681.3947107079,459552.4977564505,364391.2427003422,225918.0918547251,263362.9412115238,438149.3998730185,333177.5999239451,312057.2969453177,745574.0416904335,689434.1014700014,408681.2537875316,178600.1862920254,459313.182443888,490333.7611784713,485010.9018024947,389062.9595359078,263674.3937198273,419604.4869802617,473941.0483007946,304351.6433773156,691214.0060644093,481630.8642034405,350148.8197729735,1733582.759948415,596679.2880656914,393981.0449064518,730672.8418510201,519067.5946167124,559314.5970779601,1082080.130391628,313724.2483303291,1305972.523649933,607308.0571723895,220482.8708670789,644768.7218279606,757305.818420772,396769.0951593854,808938.200911035,515641.0542148152,489210.7160714143,3763585.926034073,463399.5919968738,205835.2874356352,340033.7414784061,576153.625727233,996266.1687590592,541427.3179977296,1083229.879772315,336096.6785527185,459362.4471344887,381225.1916824882,228532.053462166,199663.0366075347,190600.1116735484,214606.1025251809,197510.9941589778,188177.1052602959,195967.4860892431,162733.1291105151,159804.5363779382,161127.8908715041,177581.4846312306,185134.4430361403,148065.1030965812]
["Com_23668_pos","Flavin Adenine Dinucleotide","FAD; Flavin adenine dinucleotide","C27 H33 N9 O15 P2",785.15801,5.861,786.16528,"cpd:C00016","map00740  Riboflavin metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0252293","--","Nucleosides, nucleotides, and analogues","Flavin nucleotides","-","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Flavin nucleotides","Not available","Flavin nucleotides",79143.21938110648,73765.20773103001,62232.93552652306,83103.84129693221,62055.75681749373,55029.51730282284,90081.00981792912,59614.93442850794,71354.94227075417,61339.88099072494,58523.63529904623,77318.3666177433,60036.57380960832,64528.04075235456,180425.1174914984,82983.68748161418,78502.56402301231,57281.95372501666,92152.77403942552,85031.31655804126,63834.51933013894,96052.62520006072,122266.4274697944,80404.09205749499,73281.32326699898,58991.34091965775,58966.18861268091,63179.02242087007,68147.69663301612,92471.22016836224,80197.90637877687,1158297.409938559,71626.28750672023,71526.14265091564,118544.0931927091,68356.40691245403,68430.82265216013,72934.20996868287,75379.07941273409,59295.12923346229,76097.89912901995,76668.90947156846,87322.44236951978,113526.8784528926,76943.96593538712,65935.17545922326,379060.1687250464,100620.0222969526,73960.7816493284,98244.92016650624,139413.4044596911,97142.7569407907,235670.9061202907,78757.24118553782,132129.8190372644,71968.06793119866,56659.14173908812,81868.02623131573,48676.2595731645,42177.76296758577,33698.51261994459,28872.32956525808,39340.3607139341,40780.5494493337,40556.00960541797,33141.51220286103,31917.62813903152,27160.73331701461,32686.09690678234,26490.0018807814,28421.35102118363]
["Com_8_pos","isoleucine","Isoleucine","C6 H13 N O2",131.09455,2.909,132.10182,"cpd:C16434","--","HMDB0033923","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",7454476609.423372,6559842643.770033,7436173285.617046,6738047173.791069,6490428285.593249,7240919327.534325,7999306061.818848,7262818047.225001,7119916684.513054,7301160234.288929,12239625292.8936,10442305993.89613,7192942760.684733,8628225212.624521,9498978586.088,7354625815.903961,11717238034.97149,7779140898.55113,8503012311.751897,9742110423.31469,8025258621.444067,6768720199.990104,7363588128.140358,8969961367.1041,6701901382.458133,7874942584.947247,5554431732.595382,11719887393.43886,6441894563.440589,6802497115.998512,8248122108.842062,8009408667.778691,8325109465.748164,5996778787.445267,8109543858.993625,5707990350.111606,9598149900.58146,7576085982.178761,6488131033.280807,7055139571.717584,8395019686.269501,5710378568.519062,8267548149.755809,7504156560.697891,6129641166.122655,6082763012.379965,6084973086.178772,5481723376.804719,8510650123.901466,7242135779.620229,7045771020.039011,7399255798.669322,7344753739.975588,4572235011.066107,5860441407.470797,5038613291.955064,8728833404.303577,6401773166.807157,8101371923.08813,10733979918.67256,8850111447.744404,8097097280.912847,10261825173.48562,6486983837.56418,11012737933.6333,8367425306.557593,11106753490.5586,12482021220.15108,7689331015.425516,7812267201.527536,10740049107.77756]
["Com_189_pos","D-Proline","D-Proline","C5 H9 N O2",115.06323,1.59,116.07051,"cpd:C00763","map00330  Arginine and proline metabolism;map01100  Metabolic pathways","HMDB0003411","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",228602309.6078556,229758953.8941687,237708998.2408278,263187340.2109585,265160858.6729447,239905420.8636045,235120061.6912499,287552685.7037787,240192443.9311108,253104751.3066708,307783098.2099323,314505043.4242274,292673869.9798973,324933784.3294442,328862297.3708031,206482491.1258472,210449684.9716392,213891874.1588905,365988781.6882701,313034477.5438116,270054879.9919898,209024582.0222411,196417548.9253105,242609542.7244961,257284049.4124994,256577340.9306196,274292961.6381301,221184731.1799138,246595820.9685864,212104519.0680485,181731053.1284106,192977551.3286337,193202957.1993774,194384022.5587164,245149452.8060773,195620809.1120152,210385388.7842964,184737981.6077633,159522733.2656672,199849251.0785665,193121440.2326385,181643140.5449271,203805141.324142,189637269.1369378,161936926.2036343,192532704.5107142,178437567.24133,165628103.6157969,218518773.3719757,208243558.6641693,225856491.9530907,188825951.2958892,165881172.1463334,189656139.2194057,153768604.9070623,213017813.9005795,201557941.7285953,167954229.5592167,357775129.450554,333623283.1397017,319109829.2619554,309913300.2993505,175870382.562937,349473708.6109067,321562065.3569283,294130513.326855,318011006.6785468,306206700.7842228,355651055.6034126,308005702.5684024,350832193.090581]
["Com_450_pos","D-Erythrose 4-phosphate","D-Erythrose 4-phosphate","C4 H9 O7 P",200.0085,1.723,201.01578,"cpd:C00279","map00030  Pentose phosphate pathway;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids","HMDB0001321","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match",{"$nulls":4},16627917.58109522,6593285.864583177,24325848.96507314,9764019.552708115,10129114.00396499,12277113.6272447,5887502.072391303,10578481.91812136,9938487.272086276,5205206.883543085,7368492.963996264,34343474.7916301,6935733.546317198,29888399.02972124,49706249.09599668,23448330.79783417,8483205.250298338,8047004.057691254,6133204.518427769,4773790.823129529,25008746.21513219,4713897.541435225,312410228.603705,10571863.48122874,6625210.651798641,12067974.09786903,4671250.083645885,5613356.08505534,19514348.95718479,9030942.697705109,53689197.50421602,29306380.27345229,38425681.76082055,34397730.45245037,141971192.0300149,80467799.95412232,70993476.27025802,52558459.79448768,36754252.3457524,35135812.34798142,22454126.94642718,34402704.44803976,22578789.69703597,10359774.54445448,28274456.60431409,45416073.38461893,19925537.17476552,56248554.71532741,57548892.24796397,68311060.90964846,146149612.8370589,75034296.18636706,54975324.8168555,193605039.2420845,215440505.4167176,33347076.71996527,65901603.65337438,22691006.88307026,18010598.3319349,18345425.31583551,20914190.23631097,16961403.1846966,15124844.19727872,16048100.25495014,12952092.52738011,12646085.68328922,11123817.86799236,10113994.52616102,9209189.67748622,8564492.024081785,7596994.943069682]
["Com_491_pos","D-(+)-Glucose","--","C6 H12 O6",197.08982,1.345,198.097,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",268770741.4611293,147947696.932431,125142036.5166444,135797803.4017527,164496240.1914486,84751679.71488015,167968941.8664374,239753420.1181403,85189212.8730026,542338252.5100178,302208169.3938839,138971353.8636637,320416833.095617,88418430.79958001,167942863.8798085,96508339.13151284,89325195.6486645,368085479.4077249,110175498.1299977,51670515.17647362,264305963.0080804,79964241.24646227,114871110.1684618,57857948.45793944,126728542.955109,136248113.2507577,181647189.001474,52005004.84837394,211260093.3678647,220040813.4068538,101034988.6549692,57523848.48817383,76853078.5759231,61232899.84807353,129662843.3582948,68013933.1287197,75067341.30921283,78068515.69892988,196343997.6904023,125186425.5866518,56582403.88925387,89981360.94955847,79031244.00147405,112704232.4595297,145027191.5804422,59275775.60773037,86011841.83746931,81322096.01941937,73353187.83646823,52130435.33558825,79264407.76532026,65013490.57182493,57046791.53234117,195656144.7577026,62035642.16323613,85840571.7949378,196385945.7914228,83312141.05447431,95712224.5467838,105417906.8428752,114359281.8094105,121297111.3318961,111267868.2878154,129694066.3543506,130761590.9552632,111104173.4927113,109582955.1923237,114211240.2465752,117076361.4547912,164290345.9987731,104017993.499391]
["Com_538_pos","Cytidine 5'-Monophosphate-N-Acetylneuraminic Acid","--","C20 H31 N4 O16 P",614.1491,2.18,308.08182,"--","--","HMDB0001176","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","Pyrimidine nucleotide sugars",113998030.4518701,137840889.9512034,96811077.90963888,101518764.4495608,106128997.3522225,118361099.936997,125110561.0450256,121658417.1724382,256699052.4644202,72676234.12638432,86981443.65651341,109118803.5369848,78896525.33424762,154320516.5460321,159594875.9577468,161935433.7636364,173674017.3361902,149251503.2079729,277107818.0381702,71469681.16917956,132782808.1945746,147275753.5169811,136296171.9073499,157241511.3938869,205065682.7600927,158715491.442079,172442031.119741,299299602.8703245,153775329.2925009,278361406.8562628,135957994.5484402,139756151.1571694,157807751.2547409,131593859.8529265,167426891.1711941,274360112.0080187,225277331.3513928,253040695.8848705,229187933.5214323,240532990.3994156,100051762.7008167,152431603.6105777,84804842.042519,101401905.8516982,196326393.6602314,137499628.7603838,190151639.3633293,246245028.6076518,137436672.8060812,185089695.8234783,195695130.5921307,152338537.3582509,166626427.2409134,220950873.2451157,231580387.3234463,227809334.7368578,176907163.9430352,225711430.7622192,202770969.507802,225188076.8321622,299227892.4838589,240124749.1866324,265512450.7531556,567540625.8347609,371564073.2917904,287145584.4725758,284014269.5100834,290336424.1533151,292150947.3603224,277206891.4947411,249211078.603663]
["Com_611_pos","3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","--","C15 H24 O4",268.16699,6.927,269.17419,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},9334634.872323068,29441046.7153105,21973473.82176353,59718263.68407217,8690304.777613206,51612453.54726497,62655832.26041517,35242589.77044119,48681351.87023951,53499385.06659592,81492814.20353073,69344300.25670022,62265100.6661581,108872711.1086524,62068021.10861985,17447127.76931052,37458463.09330783,14917471.84236112,98169147.26940292,11299173.26209202,66496661.3278976,86122355.13284822,9737645.04160474,54413608.28632021,41863759.59821194,35106280.62874358,10164111.61780798,35787087.85330193,30958772.30598327,35059397.17468973,24245468.05853961,88582379.20696752,28242643.34973706,18691551.57021047,6499259.002703336,56647360.26537565,26147068.17180179,4770266.634062519,14599096.25744697,12757273.24368981,110807152.9703833,90937351.852717,62263115.33426274,52059256.14884,24480137.44804063,50151112.6248345,58492536.83177923,18288777.15029698,12206514.62765134,13687942.13263329,52402824.5970671,52449921.74836657,33365822.12429595,36401510.11016656,24780916.06482402,20387467.06481012,35652892.74384043,49760371.46359579,63178930.2999532,61130288.86030686,58544116.36659066,65118172.60012564,60789570.55955304,46689002.80905438,69286231.68168126,68421647.253908,67141142.00828035,50217390.06430314,81789387.82979256,61495071.18416174,70259769.59738609]
["Com_719_pos","D-Ala-D-Ala","D-Alanyl-D-alanine; D-Ala-D-Ala","C6 H12 N2 O3",160.08473,1.399,161.09198,"cpd:C00993","map01100  Metabolic pathways","HMDB0244385","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",58904571.00741577,43432602.32749345,46950039.59437032,61372021.39844724,48979370.59561533,54733260.42213761,50261337.20415863,39972036.83415952,56839712.9759142,74874382.82019359,89586484.56778772,38528300.59194353,55096968.84994149,71403290.67286277,58585798.49407642,60534400.51716398,38404747.76562115,76383597.8822595,72960946.08366194,40261087.88938521,60496726.08224714,48294595.51619902,47798286.14674103,40649075.24079917,64377197.33770882,38935473.98069805,32515823.26112093,60785857.86735325,54980362.54311825,50921943.13613282,62242585.68197049,53766015.78870266,62797289.41267285,33580566.90362323,69398648.71471052,45525028.52919769,66124507.99129507,57313933.82857267,69926230.87855019,56702431.48173273,69137242.87988825,51263952.535384,42433155.88254068,40598037.68949195,53250563.6874662,34607258.88641527,61086450.43282826,41068750.67954403,64534814.69939713,59448332.23106291,64353735.76486629,34556381.22952545,51159916.81198464,39205313.15294609,54415799.6642263,62796326.66264161,53953926.18975304,31295359.27410641,44287010.936483,47576385.08368821,61427322.35675304,46254690.60166118,65812813.45665545,66913818.77178988,45205004.99460968,55674183.47169299,56740372.01286598,59699019.87042341,43815362.09464807,51449883.60474479,46180587.49481668]
["Com_844_pos","L-Cysteine-glutathione gisulfide","--","C13 H22 N4 O8 S2",426.08755,1.387,427.09503,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},119026607.0791002,94392687.4824414,74461756.03973241,117354699.4345526,35148754.15872465,130118253.438018,114768502.5699896,141215461.1971052,137301551.4412277,84492925.13573731,109757017.1189574,170001582.6160271,89151741.68893275,235087249.4063483,68868365.70913208,189638279.7847077,29489526.05564078,191739503.5705042,274969688.9201017,122717419.1237221,25243184.76941451,80106133.90638386,2959391.540028161,230443654.3837454,166612234.9315373,168908011.0241824,63643139.40448041,195243584.4076231,194198490.2244409,87991082.62821992,19813374.43447961,90313453.18526918,156206351.6132144,61172266.80899104,175265786.7560966,204292934.1434707,211305078.5967552,250017651.1272566,169055611.2234986,210353442.3947164,55626544.02014011,27443233.56022385,30281531.28509936,84604178.99285343,102688867.2483944,110686698.5415904,194288856.8625665,111375295.1694672,92960956.19210044,90891905.58893606,80855361.24329042,154512661.3462556,42100286.09230051,121838281.5133372,3568724.593537246,135987739.1741014,40073646.77328698,14542443.53505006,192595297.944693,204035026.7215598,193929383.7206473,194508607.5898942,206395873.8120935,204051405.8436217,199576041.6379397,185553812.763256,193492883.8746513,198577748.3599978,205049478.6750297,193527754.0058736,199555908.6135622]
["Com_921_pos","LPE 20:4","--","C25 H44 N O7 P",501.28448,8.892,502.2915,"--","--","--","LMGP02050067","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",158353359.693717,206172138.7728361,192651389.1813125,135613316.385447,184431652.6969638,259369835.1089011,88151794.20952272,218628979.4070847,140182035.2827591,166141643.257466,168867852.9293529,224783285.9846297,142135608.3556796,207579505.1226816,163809269.0403538,155097311.8592011,91261371.19284657,135361982.848482,116542769.6546914,127716439.2374683,168830768.7458577,112284671.5636473,144765040.1612444,133294772.4087903,151933321.1841358,151461074.1649557,155750886.2832396,88843361.37584919,146834872.1417646,154590162.041243,159605101.1587556,122585255.6789724,149037955.2130713,192490769.4648793,139426102.8244388,141968168.4569767,168084386.4822232,128762022.2994738,156011998.8420891,155268177.7048855,300163388.7263083,115871150.8613877,152341122.1105311,174999126.2835139,134895330.2261226,120225448.3319859,29575926.88848428,90475072.78673604,130120500.7859232,181364736.8359035,100090844.9865746,142586988.7695035,119087848.0639732,131438638.9207346,104202380.7472963,159196557.0193596,178798412.9057041,91935481.36815628,144493159.0494,117401590.6850411,127386638.9792245,115841297.4314143,121419823.4084374,95431742.06273134,74184288.0847988,104427575.5155763,99162142.36233798,96081127.38006511,71760582.2172954,82458214.40369046,84159865.40953529]
["Com_955_pos","Boc-beta-cyano-L-alanine","--","C9 H14 N2 O4",214.09534,4.87,215.10262,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",3603648.138956805,3764218.289653444,3656727.75283013,3972347.443413987,3507236.217378548,3187732.120654754,3442987.973809697,3360318.456325304,3090369.14198812,3761825.546303765,3395606.030061997,3765168.307607896,3150549.944228956,3558429.210075125,3575241.49310717,2798360.169331604,2717208.871584096,3141819.443977514,3594365.973978325,3628195.446719191,3346285.56530667,2891836.758977799,2478591.804372523,3254539.723122565,3386247.0413562,3367871.36239246,3255856.524034748,3664740.906825632,2916769.194839836,2735545.501131007,3095810.90708293,2754485.29266404,2719775.973322513,2606455.775010821,3401387.21705542,2265064.33693399,2868000.646212233,2734136.844213042,3615229.883313154,3042321.684439579,3675052.197682129,2683604.234581607,3420760.429089052,3232408.306868164,2441314.679200493,2658217.818749962,2898487.310112412,2511728.402230062,3082840.215934258,2681730.744144437,2822954.325118236,2781132.606294889,2368460.546130256,2399405.873004357,2406308.580140721,2636127.567441779,2822749.536147519,2831432.427726841,42729479.8667076,45004556.04788251,43961904.37723086,42981619.23152158,44530247.31328028,45742232.82832828,41824825.32985723,43191328.90524304,47826841.6927854,42655669.44822405,47916589.12398157,43740920.21672847,44667740.33591956]
["Com_974_pos","13-Hpotre(R)","--","C18 H30 O4",310.21381,7.682,311.22113,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},935885.3898561072,795210.3179331116,985258.3303911316,1103606.918194865,957994.5086757984,832360.4235010346,196781.1978965067,192904.9197321902,368835.5458597493,203407.2755562948,148306.3929925028,780445.0832082849,245003.9475541169,1208039.029125683,576665.7714546825,903165.9349770928,314843.8878513986,596601.8995138876,540288.476523689,730808.3411676692,1574516.276194545,326110.2666860777,1020176.532070075,567119.8821630065,264911.7277344869,559017.2866429035,189162.539008384,598293.3825128148,870073.619381106,711502.2730354411,1172078.249322644,909068.181785912,970209.3811929716,1279214.974856287,1458382.399666689,916032.888588652,882348.8256120877,1078400.394623853,903404.4319010464,295023.6551279625,1066812.55473582,534951.7983239753,805414.4781824196,1204308.273421322,928610.6074034532,954798.635120467,905072.6004693556,879761.8531946295,1171035.62351246,1299338.361569144,879992.4116142292,753876.0279555131,564169.8450225397,781843.8720085361,1460086.390685484,292881.3809526468,616269.4498238799,656805.7990411222,18089873.0466581,20351478.62299359,21953035.15528381,17317005.13798639,13352299.20332029,16855223.76772194,17057730.75918273,15702193.50015819,18967327.79902684,18695560.41435286,16839717.78450675,19304442.59683037,18075568.35461889]
["Com_1012_pos","5-Hydroxytryptophan","5-Hydroxytryptophan; 5-HTP","C11 H12 N2 O3",220.0849,4.931,221.09218,"cpd:C01017","--","HMDB0000472","--","Organoheterocyclic compounds","Indoles and derivatives","Tryptamines and derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Tryptamines and derivatives","Serotonins",5615938.440426949,4145396.160874974,3927883.542157735,4392595.455005626,3078130.165922008,3609472.945539983,4172499.09937775,3489726.632835081,4355174.499966321,2906635.376187386,4553167.989925549,4843466.40984518,3185033.754464351,4413977.442173773,4815717.827482239,5397897.930163327,5427164.676060741,3067889.455554969,6250635.080447847,3738305.052620307,3399027.172958126,4634062.887578601,3059268.581003859,4800939.784547157,3587635.839772464,4681163.961572177,3731605.470328304,6859621.365018325,4801704.357487618,5526411.568784646,4251123.960013057,5011508.234587477,4335404.362352083,4079489.261842173,5893236.599566654,5717763.570879922,5044944.425796548,5290905.441034014,3982524.000171094,5204457.523825566,3717515.893905345,3131068.02140949,4947582.952958612,3059433.46597558,4954855.334840056,4919951.265819862,5767986.401071352,5352650.539065328,5829135.527801489,5243826.605265564,5235660.816729004,4591997.898993216,8975520.777048595,5756841.018451942,14185717.88301021,5119884.669441667,4035210.586479324,3712675.014415897,19048856.2160284,19645256.55954308,19174167.89463167,20887132.95543261,20670148.33989187,21214162.78088092,18390301.77863192,21723344.10110605,20347639.13203571,20388719.5123174,20652545.40073044,21697334.28932608,22827842.6619965]
["Com_1046_pos","Lipoic acid","Lipoate; Lipoic acid; Thioctic acid; dl-alpha-Lipoic acid; DL-Thioctic acid","C8 H14 O2 S2",206.04326,1.215,207.05063,"cpd:C00725","--","HMDB0251530","LMFA01130001","Organoheterocyclic compounds","Dithiolanes","Lipoic acids and derivatives","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Thia fatty acids [FA0113]","No results","No results","Full match","Organoheterocyclic compounds","Dithiolanes","Lipoic acids and derivatives","Lipoic acids and derivatives",81644714.58396728,64068898.58977095,72426533.08467817,96226447.57025452,56960172.99024756,66653395.68018294,54783428.9518724,72003962.70759545,65417721.60524069,49084377.28357937,51103946.17422029,80387614.05931371,64325341.95904618,86889271.4421748,92436620.9036411,100211607.1031,117975525.8863958,97666579.42040505,113531965.1385592,66258452.65044881,66180480.63790622,72032821.47190264,54402698.80874246,85236735.19747077,93062396.12694846,82143602.56028885,62309686.07591451,124539937.5084537,57965714.33859436,52382641.99803607,72002152.58732492,85441496.07990557,109459753.4337184,117627138.4956421,92277532.809976,87844418.63316357,91943295.01480034,84350950.03523645,64635794.3668151,93980508.12355743,64917076.79665014,102226708.0742452,81258213.9612331,66638674.04723171,57258365.71369582,67968401.15930998,122387782.4820553,59373417.15429423,104582114.0156345,127458500.8691218,128141756.3753457,82954263.43387948,92600913.81024456,82788651.57097977,86267092.77236305,100933202.2247285,65242452.28098278,77958427.71276182,70857218.6019268,76870412.66303073,77429427.73353165,81371916.68671235,74010257.50105274,62861517.34115255,83767033.47678825,80143112.61135359,66924898.49433556,76605408.32087262,81720831.6811686,75058328.24110977,79483025.59818791]
["Com_1112_pos","Dibutyl sebacate","--","C18 H34 O4",314.2452,6.32,315.25244,"--","--","HMDB0041220","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty acid esters",9085627.91713937,2883723.150251332,4432583.42081531,2040034.797529468,3394414.646111768,3109692.514967533,4986406.244927752,2899732.438001419,4488109.132277403,1287523.10152328,1537964.001778869,1960837.330973013,1412639.786757369,3010278.821680215,1248993.253063276,3258508.337259777,1863634.042261021,1760890.179107369,3760482.61882026,2119279.624256613,1039457.840760331,1122140.269635974,2973565.88375854,4608068.739984447,827816.4063925161,1732666.536568474,1335552.755880537,1571418.609660908,1102338.647913737,2560675.247060749,1552567.880443199,1204536.661255165,2248874.02645152,1731176.87611262,553799.1000977834,2054047.01690985,546339.9904753051,958391.4190888664,3355909.13312961,482973.2482675458,1946670.103706228,3067410.183662921,1723835.249326274,1532688.269681356,405578.670361022,3076706.57071941,3185645.117071921,425823.7231755903,622325.2669030771,885435.6499976281,8146253.392272568,1065773.308011141,1946549.641954044,4495266.715108124,1008076.049957294,5153509.398786099,4675633.574306155,2086961.658038125,11614512.3343188,15862294.74871172,13022551.75822942,13971834.34759727,15939855.45323447,13338183.02104171,13020577.56906013,20046752.89808427,10367349.59703902,14753842.17137047,17030460.60506483,12185635.07933798,14116801.26995459]
["Com_1126_pos","LPE 18:1","--","C23 H46 N O7 P",479.30047,9.682,480.30765,"--","--","--","LMGP02050064","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",14839982.7250577,11311117.02119284,21470722.38748112,11110767.2562809,33725908.84997407,28801203.11222512,5480911.350608828,10474206.08216543,21276604.48317381,20615681.60215676,17313452.21782644,23351177.20286347,12963190.4095683,13733038.39514581,18559947.95582467,16674266.2871389,12889725.08797624,13425308.76532817,18965760.60982443,25074636.58794271,28694836.62279297,7695688.236257767,7334818.17539976,6104001.705672083,18131606.30978512,19466105.75985639,16914253.81262253,12225886.50866961,25678825.48636692,17954810.8066747,14440410.46470569,12022429.22266066,11589088.95400677,15581790.97711669,12585343.82320803,7594012.53971829,12092055.27812662,26806267.83315849,12372616.97088384,35952945.48662134,30574899.97401165,10813841.66504043,13955431.87682013,17580640.08457192,10255759.00328273,8583586.910607273,6846321.326908072,8355092.492648706,9350900.278600238,8475148.51510843,7700166.112963717,10710152.75627201,4291046.423085096,6058670.251862068,4991007.073193185,15806395.49969209,12680103.03840543,8452056.989337582,39056653.1426801,41287441.72970171,45195322.03021001,47319896.15573347,36526469.81991693,33328322.8285927,32677391.42322668,32615628.62980461,28732806.42472754,27628871.87215088,35980098.29692511,30836141.09356946,30783063.65330783]
["Com_1127_pos","N6-Succinyl Adenosine","--","C14 H17 N5 O8",383.10779,4.99,384.11469,"--","--","HMDB0255303","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",95836478.34929074,134542991.2347226,110284901.6266562,101054019.0741584,93870541.93293892,114238123.5281233,80517572.62591825,123228935.918681,107127978.2279559,115287300.8624624,113262645.083299,101034798.8181306,74486345.78592771,154409669.6615264,80458634.12196833,169506041.5621362,65759068.97108872,130549426.444087,151724509.4044092,100500626.6126565,135569333.529294,53675134.24539907,111801041.3966664,68963768.63792783,81881659.89615476,77857552.16257273,69460485.87509565,163100256.1503222,83429461.36400828,38488596.09268593,78088157.94349125,90388154.03351204,151767659.9712197,153415923.0511762,136231902.373737,69800958.73457733,116429572.0917818,79022164.47244713,113165258.0460928,59354526.88331629,92451107.88091128,108881722.7262513,93345311.81057584,95842967.1261822,143954499.984592,118598367.8846406,123696121.5056739,85217150.41270237,126580082.813961,253323119.4987242,187464507.8334612,109252957.313607,215995264.6293488,99981164.48339748,78934799.87968285,146502390.2523183,127026366.4910198,107856816.3049155,79239121.7755781,80781439.36942838,79285501.81962025,79683741.86589575,74518072.98571435,81944779.0899837,76530943.40163945,74994460.58794723,79072200.98206148,74555597.18229298,80485637.37782913,75603613.18005629,80141843.56814286]
["Com_1187_pos","LPC 22:6","--","C30 H50 N O7 P",567.33137,8.84,568.33844,"--","--","--","LMGP01050056","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",134620867.3541711,137282881.9481758,128512206.8739046,124437477.9831857,152879421.2178566,170282388.1054208,96363129.77184892,154556574.8780608,123161726.1328116,134904117.1820532,187470364.1891371,189529179.5244844,137389850.1141689,176382246.4610529,131041781.9916096,126060393.0236376,89837008.07503936,136357009.4319225,136606820.3571795,138779143.9492716,185078665.3921933,76995851.7864993,146711627.6827899,112938057.8076211,105144490.7014204,152167250.8597168,136382300.8353307,62302935.96323091,83705607.3982258,23551928.22657253,82856698.16019727,95458024.70384324,84889754.12845293,87162804.71536374,105258349.8184821,110573821.0327232,140422458.0895727,116545881.768013,94206553.04073109,125789786.6440565,166143066.0400474,96224446.14563498,86421452.37392654,113811054.7710383,133355590.2806386,109426842.0507282,70433696.6200958,73455240.4046217,116197641.3175773,107988029.2931789,54698076.95280837,58463273.46850329,69810079.4588519,60656791.30741249,87920425.57873785,151512118.9713899,90914896.41533887,64458755.00980909,118349005.337191,92854107.39000425,84436686.2895684,102603908.2854478,73261725.31841837,69473633.15998836,73972249.24112822,73451393.51854755,67231430.52958922,87933386.41961317,69719048.86608706,70386239.2009341,61354397.70299888]
["Com_1288_pos","12-Oxo phytodienoic acid","--","C18 H28 O3",292.20317,7.647,293.21057,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2713131.315507818,2831185.010779116,3965909.448983535,2522349.153609423,3529694.89593625,5010288.311617347,1198770.768318908,1070795.017920888,3045714.264167883,1242782.028470207,1167361.052123224,3518260.952353253,1184603.384931724,6091246.248109849,5015359.552939416,3005242.707709609,2435873.232499108,2873897.995183585,1680003.688221136,2249037.790453921,5320266.016100489,1897949.539279986,5709637.954684689,2472267.00725634,2773477.591862513,1654317.401910202,1088073.614671693,2013771.686886411,4183595.680974493,2235040.720012724,5356794.549747322,5992544.028321797,5959415.948400802,5766360.911278604,6469805.660856835,5652605.457751984,7815490.87387798,4900630.458765512,3787649.248766089,6430967.109363081,5047626.247731946,4417568.294213532,4548344.994589214,3886275.420415234,3120602.319897512,5208001.925565388,4692851.653506533,4256596.488192866,4718801.611549232,4971073.981826509,4749490.569058846,4516011.690615164,2865891.519252536,4179064.621382679,7901984.568423309,5572105.135937192,6321143.189073825,2699411.902236744,23299682.5086112,26344135.88274791,27999990.203446,21413225.28536522,17643505.11221335,21888309.50703066,21573599.40743257,18782496.52486617,22173542.04083116,22015804.56095745,21526785.15821256,22586664.93700486,20831609.83799069]
["Com_1315_pos","S-(Methyl)Glutathione","--","C11 H19 N3 O6 S",321.09921,2.682,322.10669,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",133310117.1840811,86123847.8008073,93260890.48652416,99830791.6648552,137094899.235499,105074017.9104964,82455215.79704227,119466211.6471315,75194955.04166003,159978356.1486211,135762623.3268727,92108196.84662102,171261293.9998515,66218329.94419304,118764301.1221624,146599608.7509667,188340132.159348,138348962.6052248,93116568.04387778,92592767.78048795,105584232.2607641,150207014.5199572,77994661.27698033,60559156.98860736,72227704.32476428,70308683.42424044,150469892.6423152,152007534.2004999,92844834.28765877,102395194.0124787,62876403.07313602,50196020.56169362,85508338.92274736,64700590.94785874,65770141.53297441,56105611.04675785,98936885.620595,75087852.27223572,127389499.3987162,66999314.12442373,118252441.5702013,119974062.3441405,88385437.07698105,173099825.4411193,110533360.8528364,123342952.6089559,91946910.51178728,57658245.39955017,125165469.8182935,125905389.9329967,146449109.1576484,90964958.30888468,45112997.74467077,71702245.69940893,105166465.3258077,62108618.54025444,163696003.6692181,95334111.02899216,48285634.886835,49277107.88969852,49466717.47249421,48543495.2241384,49786193.8272609,54279176.45517458,54513808.60980213,50924625.05207248,51574043.64276256,48556191.04453393,51119429.65358311,49116114.73764456,53052067.78804623]
["Com_1360_pos","Gly-Tyr","--","C11 H14 N2 O4",238.09535,3.895,239.10245,"--","--","HMDB0304778","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",17482239.40118693,12377612.43193272,13076003.92263745,18274980.23246199,16621318.18215741,19885170.308129,15417451.13660571,13260504.32884094,13013725.48003885,27369397.8502283,18853302.6581021,13826855.17419949,21591544.93538979,14745190.35948025,12790297.22665735,8119301.873628261,3541265.891618088,15637004.35270824,14581978.63366496,12084112.20072437,15484950.68147329,4639871.029745393,2355414.380127924,9525475.58372582,10403660.9443364,15451587.37708478,15494469.73566439,4060769.939267314,18770635.16998924,5023008.079545755,5806436.208967725,6793542.156058016,9107403.121307475,6423830.19059652,6299582.678403581,5211434.494839677,8997249.073471924,13092002.14179637,8888202.533112215,22121553.35876638,19738580.56938026,7483856.366138996,7104178.213912856,13725216.01622408,4374076.595723357,5629131.226624421,6262332.675701343,2721865.626861134,10417632.56086412,5197631.209457523,3779650.562483236,6972641.386687683,4401689.044480613,4367814.088611637,3716588.174466257,6738465.334604847,10355937.24343196,2521046.611583189,18723370.3373777,17993769.16727255,16484257.22132844,20585163.49870366,17061287.22408741,16049610.09862496,13137265.60506441,15493620.83979575,15511196.55463924,15684936.42856292,14715101.87031305,13509600.44723578,13954343.23496629]
["Com_1427_pos","5-Methyluridine","--","C10 H14 N2 O6",258.08505,1.396,259.09244,"--","--","HMDB0000884","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",48851237.06001661,27262672.03833311,20577601.14213394,38780141.70644401,19225207.95495072,18389047.40940017,19523872.05143149,30672947.46565331,16552104.39856663,64396864.42029257,54331935.76368196,36602781.55300093,33933452.06588943,29760760.21206803,31952366.96019164,12829020.33921617,58175030.5905558,28599898.07119892,20572379.49131948,29712835.26284041,34088853.15064671,41985709.34206417,24551964.9862018,25814815.5300722,25836854.19956265,35187860.06472944,35758353.40199897,26359362.22288453,31587601.32867044,33902934.95751479,31411546.13122432,60614617.30636447,35523764.00021405,28294978.00067745,45593615.60436817,72006740.759379,50559418.68567964,36644625.04906912,63646534.39642377,42192575.82255977,56121904.90875042,29268324.03980987,56136021.95035046,18236328.17060951,68813862.07223406,37568283.60556754,32940671.02746922,23405032.29881555,51719222.02281528,32760036.39260494,27916003.79597092,46859183.32071455,59936862.16861314,24270406.53304317,21922498.85568064,30051984.93107497,40301178.63983256,35910042.78289674,43232929.0806958,53302240.02935468,46176273.3040545,54335340.7917022,51738611.66838352,61913570.20168666,50159123.20437695,50640636.24413604,53588253.92321674,50724065.02093822,52829416.77738474,55511980.16362789,60300069.12782661]
["Com_1511_pos","gamma-Nonanolactone","--","C9 H16 O2",156.11481,6.404,157.1221,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Gamma butyrolactones",26950567.03727295,21556101.19599582,21310864.60931426,20182693.49570068,19546817.85908633,16572576.49364071,14410517.66854443,16633859.4069624,15871022.67295733,20910910.56329852,19885158.11619778,18326129.52088745,19887808.70639041,18635189.91608297,15404084.58058578,18825755.33994863,21324209.91026744,19515270.84685738,15155048.54544948,20554505.827357,19241311.33930008,19402339.79658904,24738711.66538686,19787483.21839686,16012295.76856435,15934672.74007254,15626557.41873116,15367240.23873055,19180564.29116358,20216476.1142595,26124886.03433562,20091181.04437292,25072832.43106581,34230865.33642603,24713765.32392797,25517429.62610415,20526585.03295421,19006820.33031256,19906718.73871018,15974209.2279859,23423024.99324221,22378044.83857515,19369364.5989542,19740134.28423953,27481661.66594235,21987366.1509638,29159470.97218797,18648484.46781161,43923777.06444798,25281542.05487097,24218446.67447929,20001138.4062758,21668126.82233644,23003657.02271515,24414621.29273823,19214525.38449216,31697676.9038878,15067655.51643082,36117116.4279318,39166265.69106484,48725604.94156219,33060849.95890851,32640530.73880067,25462032.34152488,33472956.57871812,34849249.35545021,30094295.01613689,31391246.38110131,34219226.55927325,32575780.31666595,32079013.93318022]
["Com_1519_pos","(5-L-Glutamyl)-L-Amino Acid","--","C8 H14 N2 O5",218.09016,1.396,219.09746,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",11674208.85454058,8354073.42379116,12291768.07696512,14203702.15047731,14530094.31037726,14412201.38421459,17652115.86400012,15824015.34251907,13507548.03658936,60885045.21564144,17358764.42452011,10943809.76084594,20821733.82247633,13008682.79556127,10456897.56056638,5739655.71566276,6569133.579074896,15338411.39819509,16818466.29432693,11037939.21667373,18444217.2113438,6897903.313414961,7732949.497760205,10750891.1111382,11537108.06868892,11667329.77939922,13040386.87979851,9301319.779620549,15623571.33292072,9894155.46042273,7479518.201800643,8864005.675994083,8322008.067168632,8677503.922582408,7490409.594546744,8320888.340739971,6873784.204219081,8946283.45917254,10838383.08629348,8515876.455305237,13157179.95949659,6634761.668140708,7858792.301420456,11443925.09224922,6043278.050747014,8458528.070903683,7912397.288958088,6527614.181835135,7044621.394950096,7478518.467815751,6378621.191674808,8800276.99891406,5392687.788121724,8913420.375785187,5257855.671611927,9469974.730829988,10613112.60799129,6528402.416356749,32566748.7142156,34506001.08626883,20770861.93980972,25416803.0910424,28777091.53367241,25269734.20293987,28901635.06817157,27650777.4820234,28734740.62899134,24096400.47178793,19327174.43756569,21508453.20244431,29614013.94681006]
["Com_1593_pos","4-Acetamidobutyric Acid","--","C6 H11 N O3",145.07398,1.369,146.08128,"--","--","HMDB0003681","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Gamma amino acids and derivatives",31082631.35507459,19548650.06335789,40300754.9700967,27152643.9560429,48370141.23652489,29891926.53427532,30574988.08621093,38325343.82277721,43319515.13370953,33434292.99762068,38511872.54876544,28008077.91755388,29240063.07337191,23729110.00662173,35879308.4142263,35473267.1910329,33631330.7391412,40542718.93790922,48057426.51624354,35977912.26905923,33529696.81815252,27985074.27829415,57550467.4315249,36035040.89120992,31611662.04231312,35193812.87427501,31503910.84136053,35609163.20672804,35583055.77615064,42863443.22368429,36352228.02250153,27179220.78982882,37972851.87214682,38504740.18285617,32960075.361325,21298132.85913986,34663764.71541314,24350677.69252263,30990477.08489646,41434402.53309052,41462648.20786958,48093453.41620741,25639975.50642455,36888676.72198934,26872685.43489712,26596625.88695686,20679251.06092535,35728377.94480509,39642006.06178299,27860165.82378934,33937287.0699366,28187090.23725194,25284575.5923982,21638267.26280532,18974784.93806211,31716174.24020053,33066206.32776501,34465702.33420728,33409915.0000645,46465576.18207433,39859499.57402334,39557770.81951267,42330232.73558845,43873383.50046851,31171259.56930937,36865420.81761277,34428145.66673379,33158974.95761066,25754779.99808275,35622067.42193925,42839347.75024472]
["Com_1607_pos","Linoleoyl ethanolamide","--","C20 H37 N O2",323.28194,9.34,324.28903,"--","--","HMDB0012252","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","No results","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","N-acylethanolamines",5749018.851997381,9876699.854386026,11079801.3196208,7661407.689648052,12119109.53954089,12266698.06480902,5819739.381040169,8575804.787582409,13106365.51879715,3361974.7740718,5216846.691077353,13589321.96537265,3638108.824210185,13659692.51970982,15282428.85989553,12218483.5842627,7282139.732687061,7021835.64764278,6257506.412900552,15718077.40117562,8587179.24776312,8965944.812302595,5219821.376296425,13082501.88985344,10091052.95016342,10597295.23007321,8064574.849261528,10183641.95167277,11470598.67200815,11068402.12945902,16695156.01420709,14484827.38260883,14497425.90812451,10059623.95815779,8209055.100820222,8250219.516465953,12786396.74187839,21019025.67225901,7505477.490340045,13977451.69299986,11272565.1847285,11357163.38361139,14183900.6808241,10789480.44388121,8233379.586866967,7861702.600119403,9002894.004449794,9401805.844391478,9314601.61539834,9892407.28054227,13001163.52910598,16348612.05158778,3910984.709714825,3418569.934906884,3580283.486088482,10335016.89369907,9600436.45271514,12003782.54524842,24896611.0504536,23351013.43256028,26508250.54494323,22973579.98218888,20198383.53581729,23109597.65991511,21721958.17749551,18202819.78720324,23160253.65406706,21450063.93693872,21078260.74960967,22410309.66358992,19977523.37655932]
["Com_1609_pos","Guanosine","Guanosine","C10 H13 N5 O5",283.09148,3.273,284.09882,"cpd:C00387","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000133","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",17804336.0191962,9757624.34600045,10304136.795661,17207739.68771288,10539271.14165265,8697984.451203616,7121762.24664466,8617124.077893093,12114671.14698374,6381092.020673357,11721859.11139014,9780653.545432683,7249385.966332847,11188067.59115306,8828819.961497452,12274698.5418481,15993928.19214284,6281135.239386399,12121432.68705009,12725174.29279825,6801720.917150931,17706256.77888311,27699183.99690356,10531698.63292983,14931191.91832113,12624665.30724654,15987895.06417532,14758741.57223696,10861028.08856275,10873937.07366267,13454656.77492926,17164159.89774473,12932467.2254141,11592033.93070868,14153585.30579838,9168323.776497783,16086413.75145875,16549021.14607109,12744340.48804335,18778436.76175002,9207235.775229216,11921050.79385492,11520350.07035183,11991396.93958764,12668993.98232111,15886015.33032126,16679143.40374484,13420999.5760156,10615779.21061462,14504531.60509145,11479623.11325145,10963821.86936273,12369926.91560252,10968180.00602742,11908757.38245179,14222405.75856176,8744311.117435113,16029618.76802556,37456923.5179119,36066258.2070801,36481324.11118332,41285675.54563076,39137560.75662007,43647001.18492292,39517478.15799488,43088134.79622737,46615235.26579058,50805657.00941095,51596151.00624372,47031774.04390895,49322070.44342945]
["Com_1695_pos","Adenine","Adenine; 6-Aminopurine","C5 H5 N5",135.05442,1.403,136.06172,"cpd:C00147","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000034","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","6-aminopurines",34971299.40383021,21077670.21167804,18702559.99466475,21223522.66267586,15730087.44449767,24612219.93454362,23616585.78717716,18818483.60270762,19993827.99394945,19343697.23632687,22798522.61687854,18890919.51407917,19261252.93492321,28393693.34126253,20471327.73479225,31663113.06266716,57747356.08897548,26467912.48599813,33111054.36070045,56898370.75088322,67210925.56770952,98329132.98478372,32568385.40620714,45609863.07899962,42612305.71848182,18720173.16032648,22248552.52019964,26475875.69515408,23328385.78777632,51163548.08414478,30383048.5379774,25772051.53716724,28286658.03861173,21453109.51407242,26819447.51027436,14977942.59510326,29685226.37323665,60215177.52608079,26616976.39120506,26185436.00066968,20447387.48598533,20757680.65125823,38060656.01661722,24912687.65937365,29128221.33377743,16742918.93299665,33653554.24468625,19118659.9790756,23264280.14113449,25703644.14825521,22592809.72801829,24110425.48184146,13233689.68927449,13144114.37899086,8947594.864348903,42653627.6778436,28942314.5196193,15623997.05307284,45554618.9937152,41733841.23728899,44109463.28230524,41450677.30411499,50556686.06069836,54306716.99521335,39925508.20689416,49886121.39411019,52311235.29451562,45213411.32521094,51364503.44992173,45390217.34126006,53984967.55973013]
["Com_1968_pos","O-Phospho-L-serine","O-Phospho-L-serine; L-O-Phosphoserine; 3-Phosphoserine; Dexfosfoserine","C3 H8 N O6 P",185.00893,1.307,186.01637,"cpd:C01005","map00260  Glycine, serine and threonine metabolism;map00270  Cysteine and methionine metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids","HMDB0001721","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",98783414.1673308,78960924.43879458,76653373.02325761,74654511.97076054,54864076.68995632,58125199.14950091,60333477.66157873,93733291.22670224,108306860.4579787,31857405.7654756,52273879.12278327,70123757.24302381,34874105.7265255,123143385.7969878,88942837.12527104,70336698.58712657,34942802.26866774,47952143.12249085,113697035.2525256,108072396.3325826,44311240.43497459,65518696.87596859,33126246.09179619,73242792.10273303,99841343.82630429,33766906.43909363,65464435.84311435,64147027.74526705,49049788.5842577,49782377.60781904,54469952.03849391,45020938.65002369,38141180.50444242,52371441.44640177,55503167.2784541,53144436.90730246,52400222.88870025,56403547.20962761,46599952.81466116,73046933.90002337,28643706.49546197,58899297.18441401,43354034.28172403,74233984.27362813,39752248.39778312,63297000.29290752,72021416.84770413,64706781.49623783,36132719.7360048,52404397.95515611,45565868.43383061,59586808.52232911,80612527.44061647,21571422.49801278,35151359.04999554,43456429.19921584,38507778.65714464,39709990.18273231,50771072.0235095,52810673.63377905,59603510.66462493,54660129.60180712,58557050.30806823,58669438.04251747,61492780.53785652,59599188.1328883,59441214.38903989,60296461.57990695,65474063.71202409,60802456.80961207,55225884.34298668]
["Com_1989_pos","Methyldopa","Methyldopa anhydrous; Methyldopa","C10 H13 N O4",211.08461,4.073,212.09189,"cpd:C07194","--","HMDB0011754","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",1222042.326527526,1307794.474635036,1151754.746468152,1521941.194489687,1196443.604969607,1354353.299074468,2022078.852093084,1732355.440283556,893456.0293464456,1675610.540063441,1773831.89136326,1196983.951236279,1595775.585358762,1596944.032432596,2063795.61925879,1501810.807807199,1548742.993732483,1664892.194176861,1784931.965102632,1904906.239825815,1173248.451252074,971360.3732667024,1129004.636900803,1879910.331491165,1452133.293702253,1261270.392693672,1487825.406381865,2426014.281808274,1747161.359597127,1262713.575276567,1822542.729238029,1165720.829363404,1274031.741627965,1707290.199257704,1195699.655376413,1242216.664256997,1208524.446368326,1729802.890333589,1495612.915194128,1410740.71254659,1905875.5449877,1380310.763552332,1765412.271770039,1792265.89530187,1123214.288727334,1555841.389855652,1351148.229584984,1374329.321399893,1643767.324880837,1200124.543087102,2100642.4601977,1234211.226483604,1232971.50517733,1269052.54084573,1679163.867773125,1071756.061039481,1575153.761338774,1224404.483868795,13346199.7684114,14124943.56799667,14515777.52103886,13565824.2467578,15325098.83704392,13329915.55665465,15415603.33097307,14326828.54664055,14935941.82242898,13943303.23220314,15536228.56382228,15106458.57136224,13759291.95544412]
["Com_2112_pos","23-Nordeoxycholic acid","--","C23 H38 O4",378.27632,9.575,379.28354,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},3543950.066231254,4405875.408805472,9089179.710527623,6810714.047299959,5852192.619221426,14845671.578473,492524.7938108581,9106389.740181686,8079505.272546996,4292978.655213397,8723102.27091703,15341877.63589204,5848886.442404932,8660735.02572083,8598409.609431528,14660898.49843205,4714594.955639136,6432250.776759019,8862023.243032323,9638303.10594638,10979265.78236879,2576993.122688832,10770756.33679153,9740150.404799704,8698751.80736658,13197964.32200483,6829735.398776855,5965317.430164479,4471859.322137117,3955268.357824939,12795266.09923737,4245085.290667178,5718846.464004374,9712066.01401699,6406529.256471418,6597455.180791094,12838596.09558039,21976429.09469564,11481923.5692027,26420698.53677262,14932819.93017603,11816809.57535328,13044269.24057712,13451549.34876692,8297734.829141382,7026499.058226009,1857437.126423096,16747790.99942167,8722391.764892895,5590093.862339169,2507170.155765646,6926564.6707021,1934084.771570592,4708310.338956499,4388426.96973334,11088645.17914243,4075210.086856301,3899390.401794869,23487638.4684366,30426426.97728942,23372577.6142598,23421945.50957358,22420548.51715766,26421186.1620022,23399833.89345561,25691542.30171541,23377881.34041263,24551942.16748295,23793079.31561333,20887282.89592189,19475186.26904744]
["Com_2228_pos","Lysopc 14:0","--","C22 H46 N O7 P",467.30007,5.52,468.30734,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","1-acyl-sn-glycero-3-phosphocholines",1241060.27128643,1515292.623667669,1023526.471953511,1101307.371600364,1196248.109045603,791632.9791137378,828189.9199679365,762924.5181966273,911252.215220258,932748.8222570932,875625.9499074796,958171.332995664,791109.4352318917,895442.1863611786,858480.057038298,1469872.938011286,1329972.862391659,845868.109862668,912188.250468574,995157.5460298144,1264167.675669752,1076634.572662296,1443435.454480115,1331908.921856673,952326.3940817897,869308.9924803314,1190984.639439147,1366220.970275033,1043841.059305836,1168123.489867018,1007825.970766611,1006117.132108726,1025440.503768098,1190207.715227318,849006.1357853655,1419663.986657064,1374005.169410751,1326642.13634355,963659.5207413052,748645.1708163721,994353.984078037,1202321.612736326,1054157.654835171,1297960.314780902,882094.1354167421,1393160.444774517,1087603.213859644,1373762.943075331,1327996.892627245,1190848.967485894,1762444.388393095,1196897.29235784,926900.7834847728,1431065.780506672,1400233.038007323,828335.4637192163,1023997.637908361,1020602.182645857,642059.827408326,1082889.672109983,1170495.215504944,604827.742430874,929448.5879772988,783247.3717658662,1149799.501418632,759325.997079772,924814.2888071568,667715.3633357645,1102118.902850285,624298.289051653,1128928.345414969]
["Com_2321_pos","α-Lactose","--","C12 H22 O11",359.14237,1.41,360.14948,"--","--","HMDB0000186","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Invalid mass","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",3976272.523644485,3527681.201524072,7832626.251605391,7396011.54813652,7234753.551006041,4869999.599444551,8176618.613452534,15002853.67704284,7382877.802088864,100441229.9547328,60432772.32917527,13067133.50840476,84040221.21329398,4327436.069172197,7915535.827435615,4103396.227205953,7308058.899591491,9275651.13705928,7718175.834047601,5761836.210683653,43509660.94831399,4401975.85101397,7043357.623585758,4423039.057989368,9278824.38811826,6016059.592940884,11780960.35554272,3095910.34923902,5803471.754959598,10917593.62064444,3024685.821744235,1848174.117489954,1906813.727992128,2025399.414775792,1872339.798581008,2445976.574946448,4805912.708486008,2236231.34416644,2342099.62369874,5054305.423430384,28189103.61896715,4247448.212501727,4759197.324361799,4524680.992461714,4644530.53036328,2486859.540286216,2710398.416781036,1773931.531384305,1809840.798731764,3679285.149057692,4736540.20172684,1761443.159887805,1748709.996300959,5523250.31467359,1752350.878183478,2821191.978323439,7083660.219088613,6174275.932319181,7419140.95115676,4875785.444991695,7008376.630795217,8450496.715911305,6300250.024102078,7190665.430518731,5241456.658202104,4286043.141849488,6534181.877598443,5947013.071988808,5766070.448112927,4482906.245585959,6483379.173725265]
["Com_2547_pos","LPE 18:2","--","C23 H44 N O7 P",477.28458,8.937,478.29153,"--","--","--","LMGP02050041","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",65384605.62870523,66248251.76585166,66058032.34993745,31984976.63238545,23547918.15431456,91685319.88776769,49380513.55390574,59861628.24086619,83937228.01591296,76107680.98937996,53443416.15150738,69213731.54199615,53418763.55010232,65021258.34030426,73641413.27277014,55163806.79575814,40874338.76408155,69052971.4430329,47116059.58116587,77439552.1620354,82959877.39062887,37868150.02563228,66397893.97406358,50650215.05050971,52012791.175815,59654601.83326464,55138966.765725,38894352.37959405,54914122.01832476,22862428.51280542,72299531.84427315,70720434.6267763,67735633.3521078,71194512.69168124,39459463.61749487,71233491.3830532,46520694.79009454,71027212.9067381,23208332.89898778,57467050.65382303,67932856.57892273,37460132.58496604,46975992.47701453,57183518.5385313,45574544.10707813,43961003.89124322,23624909.76606998,9495353.751759635,50992985.12719931,65144948.46868881,56280449.22812331,44851819.9316528,32150411.56713039,28990193.02329661,39751624.36396884,48199016.54125632,72794076.5732626,14385530.43982741,43422661.1067747,43510298.16561701,35710258.36172418,37079846.73546726,33332029.21896508,31972529.92740627,27290626.70117977,28798439.39484939,21697387.76706842,24486792.67120766,21301096.27930726,21619631.73928025,21328403.54515715]
["Com_2604_pos","Asp-Phe methyl ester","--","C14 H18 N2 O5",294.12171,5.142,295.12894,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},2289346.3630896,1566775.3776211,1327699.613371557,1397295.136333589,1857392.058638677,2006373.489351756,2639690.215352092,1746646.70366023,1637378.868906254,8257334.741016434,2719176.046499244,2321546.778164556,3816888.072909686,1916449.174815957,2112480.931219761,1105395.860473211,976895.4777868092,2620899.250620821,1481654.754232177,1360318.897969215,2699449.216704501,1177028.945348569,1150745.057872724,1112904.874067454,1192166.237492561,1889309.345879625,2246177.072977749,1111797.742797369,2386011.98905644,1093493.904276305,1446839.948466356,1181518.629348091,1791576.852101232,1767111.851920065,1150566.736995025,2468851.400473562,1053011.124293855,1646939.726230037,2279930.983005155,1336466.293628619,2358315.779646906,1097953.440725584,1312417.960469073,1542315.539428652,1221890.182650948,1286702.466155978,1092174.072655886,1039423.828090598,2447491.627330997,1097363.268169169,1178030.533890685,1783826.582685316,1428521.16451438,1909168.520015785,2534363.396931369,1404798.669619775,2182386.795113942,974958.090768659,10132819.685565,8011328.86528713,9627810.00201184,8606252.22387608,9982206.389227493,7213111.940708091,10405187.5357381,7359644.821047856,8613964.36370842,10320657.97266904,11711754.3912872,8702272.147806112,7665820.386961358]
["Com_2800_pos","Gly-Val","--","C7 H14 N2 O3",174.10048,2.723,175.10776,"--","--","HMDB0028854","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",20445275.75664295,13760310.78326354,19459799.51674364,24101479.79221768,28607499.27651396,23815511.29576301,36012118.63022735,26158031.17841236,22295955.87432444,44470321.37747176,27715573.94141823,25789118.87632619,33948901.1529401,24527799.35169252,23523082.85215854,8433101.678168595,10926200.09147431,27515626.62979525,26570576.36108982,17977284.25957258,28382000.26576898,9141976.148661133,6184716.904603906,19197487.47662526,18641803.05533963,19573788.52260295,22658553.25690408,12247960.42302106,23293803.89317059,13006305.62564078,5586924.364621824,9227745.14247986,10954441.56311843,10497315.4116733,11778125.76400989,7789014.395695471,9448740.69978048,17299174.41086457,11326333.84585282,19683227.35755804,26282400.03530239,7935409.023261554,8844863.77295508,23414815.95174006,7483556.643827906,11183658.81285466,12378771.22088992,5179286.131782653,11845396.75902395,9249780.655228348,6447461.121655967,18996187.8428207,5619238.523427917,7886983.58042831,7150865.594851694,11060457.32993896,18291736.05279429,11172163.08443708,28626586.706878,27557699.4409933,26367222.65160142,24257387.05319691,25705710.8148848,25991875.01984732,23742106.48596585,23008737.65794965,23740812.70965734,21473177.77399645,23901111.45472147,24031965.99818673,26616825.23546474]
["Com_2930_pos","Tetradecanedioic acid","--","C14 H26 O4",258.18276,6.49,259.19006,"--","--","HMDB0000872","LMFA01170018","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",1418998.680199305,1073610.895961243,1661299.352341685,1379996.197227617,653974.5604814702,957910.9089868326,459368.3391504869,508555.2652272096,1452784.480952872,805690.5931192539,1054067.975563432,804183.093722629,910913.6087009504,1102783.806479195,598817.5794540031,1505415.115565181,1026072.23863685,1240467.684137811,1754828.554569473,1926565.065826943,2614751.479334726,1829248.633402759,1501940.869891726,1619327.894769344,1458067.917601625,1352975.113791944,720233.3056406463,2229307.524954089,656757.5775510416,863101.5396678156,1563128.54579207,1037544.883359314,2384732.581514709,2430371.775282578,3741337.458853592,686234.9438317132,1013468.00892588,908300.0051672478,1691041.678436699,1236846.707789013,1580345.83360837,1399761.793886182,1018893.659329598,744903.6011954761,1610158.123773883,1548116.740837628,2083870.721739516,2750012.247575614,1226141.340833786,2043409.56252544,2599153.394154322,1049186.459798833,1184546.474027756,831352.6757798115,1224596.602454928,1702810.609243575,1979937.213300119,1149817.57916581,6605749.58792163,7859120.542983259,6244837.082438227,6169854.114423401,8758708.287842948,8149277.08982815,5414623.538968964,8163075.6735109,7165919.854147471,6172814.010593283,6887020.780784933,8674663.555675456,7991313.363785697]
["Com_2950_pos","Ala-Gln","--","C8 H15 N3 O4",217.10621,1.351,218.11342,"--","--","HMDB0248109","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",8825405.751316138,8473760.82372357,8369597.58942373,5350674.510491554,8864146.0197317,8573997.084125558,8074129.929214837,12970327.91319488,6320384.446900092,13661319.15917288,10254364.72295645,6519828.267548005,15307803.09334022,5071416.659061631,4676312.488541941,6985123.603883187,2647285.558265344,14198018.34563555,3867628.024675632,6259435.14745384,11191279.90050962,2626444.061166852,3147668.758396567,6053706.530788942,4535279.469389644,6539734.768120924,5331086.469837252,2485143.60303024,6614163.488722011,6127727.141503844,8101032.128542387,3298917.748223418,7731346.128053261,7345827.962516307,2731436.338425125,8369152.273121424,5302788.326255067,7900591.909680851,8958640.967367962,8432920.657208335,10913864.35660334,8742795.575514175,4445356.509667601,8250581.934570238,5530373.086907949,5059654.845722558,7927323.610258683,3373315.091260116,5311830.630102824,5574706.674611791,5313161.399811862,3512960.962337587,4604858.130384754,4639674.546973792,3667675.637346988,7192897.597001833,9374003.629474867,3210868.418407473,4184935.88517405,4286855.528582448,5877868.947309863,5869632.085401481,4406699.716694083,5765514.68615256,6312880.579829697,2772532.091468906,3585577.455932038,4636322.387104727,5714023.287453315,4803214.037735505,2123027.611979995]
["Com_2966_pos","6-Hydroxymelatonin","6-Hydroxymelatonin","C13 H16 N2 O3",248.1161,5.157,249.12344,"cpd:C05643","map00380  Tryptophan metabolism","HMDB0004081","--","Organoheterocyclic compounds","Indoles and derivatives","Hydroxyindoles","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Hydroxyindoles","Hydroxyindoles",695371.220021628,669747.7833189553,634592.365856455,676046.199062782,605245.5833394275,513325.4176120088,600462.62827697,608873.756955824,519808.0784159857,662905.19584916,606734.2042396852,677439.7195704088,556927.0475568081,603518.2977130124,673909.4774999002,570517.2009027894,495096.4635429624,471819.0436182781,585192.1716797171,693343.3796446556,547327.7381397698,607488.4874223768,476719.0989174112,574392.7549649288,615301.1506067114,614992.0950475639,560119.030556878,573821.3420839626,541220.081877214,472521.1339274748,703368.6491903685,609805.7043036179,567274.2583922427,554798.5384992423,593830.8055190746,793949.5960061592,537229.6638920384,515441.7642411594,533292.6659198899,477502.1047545244,679623.4856540222,531843.3856185082,651124.9169338465,507162.2493991377,566844.5356039448,522944.6856270608,563693.1683130144,536467.6982778332,646544.8013655826,525412.7633306824,519007.972546911,500789.6671197058,489852.0645854949,670664.8934057606,610891.3466450342,574726.9580756716,454693.5243638791,458967.4764671963,4666494.8156476,4348213.251183488,4797149.580313223,5200139.652671717,6027928.226376811,4527069.522137319,5412755.580221123,4779344.187443193,5625199.8878356,4110363.066020319,4527772.334036832,4337260.886123832,4807734.271785307]
["Com_3032_pos","LPE 18:0","--","C23 H48 N O7 P",481.31633,10.298,482.32361,"--","--","--","LMGP02050038","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",1217524.859627407,2125059.604251946,3807182.284832769,2409413.566857277,4670215.917930302,2963381.436264169,1124456.405819664,3017051.18555156,1761717.444988142,3415570.390719837,3790626.03922285,5358754.604445689,2607807.747254788,1456042.901966744,2458573.542685139,5105324.961985179,1050626.672371667,2806714.732972719,2485791.847341918,3883597.697342501,4366251.426912835,987597.4089785052,3610101.424020232,2086900.287764385,3986607.741873913,5105319.486512308,2600546.59234565,2487452.01794176,3875790.70064807,2523025.151887424,2407659.576540758,1764077.592349992,2706473.03240555,5314033.112999086,2801206.323866569,478693.2412037539,3798780.315667853,9344912.224671625,2269312.383156537,4672302.599910502,5068320.980691123,1927635.567394031,4685904.363590116,2779478.887998192,4368809.12828624,2257916.217296971,4183239.609751982,1535119.699703907,1702250.602206778,688669.2911176109,423653.6335717248,1418400.45070492,191948.3660124547,948534.5292358228,157931.4540530271,4065429.197361922,3250902.752408929,1233818.626088665,27661571.9546345,23120995.24888377,29142700.43696346,24232130.49918326,28239953.30806537,25753337.84751752,24405077.58929619,20335651.8761388,22106547.81063932,20529865.84513132,24390819.37792504,21664009.4956526,20682839.6671255]
["Com_3045_pos","Propionyl-L-carnitine","--","C10 H19 N O4",217.13156,5.205,218.13889,"--","--","HMDB0000824","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",699563.0039536837,477129.9066405094,712632.2417662797,733610.4231437396,449843.0254698993,570082.0609209461,442913.4822043456,430334.1322350454,701632.9017922403,495149.0149949918,515194.1992335469,542620.3605150754,543274.381284194,726138.7888099918,980751.3058709505,623810.7666367852,619842.901856983,544097.2256009643,889862.6921733365,818279.3438990059,761784.8613619121,798106.548404546,646196.2388267872,875119.6853712628,910206.4483608844,454407.9594757969,471761.160836996,2531218.326771635,584188.6069647595,859316.920340107,1310457.558694427,911783.4929695498,1358080.399308231,995377.6019429244,574293.9481751709,1221382.263949485,958019.4996058898,682212.2774603694,1181174.675996253,1030099.736394322,494175.2721603498,1009646.981086497,613522.3688802014,552504.7866914733,624536.5395811152,571198.9721642917,612352.0799499017,784940.9546329916,622999.5806136457,795320.6131465568,674774.6109337966,555208.9661694523,523739.1175294388,794682.114604088,512460.3313570937,688008.0793958089,862766.604122173,394731.7798027372,6241815.75304903,5705936.880091658,5737615.456479467,6203015.738083867,6485527.628679794,6703314.974555328,6442971.353568575,6359068.162730783,5994173.870388211,6149942.971986219,6302844.535039305,6658632.400164528,7975810.261082274]
["Com_3148_pos","N-Acetyl-D-tryptophan","N-Acetyl-D-tryptophan","C13 H14 N2 O3",246.10051,5.3,247.10762,"cpd:C03137","--","HMDB0255052","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",1717854.584115677,1386386.35122089,1276227.232071976,1349668.856396353,1290808.124191471,1279528.966117932,1630782.967819835,1067440.764429078,1182570.938031494,1307180.600736951,1199624.821061172,1825042.61762622,1001285.568797025,1295750.330698182,1361267.915620896,1291388.373200987,1365288.160203722,1157882.069757052,1266708.934140427,1445476.010658394,1361551.48366927,2016381.248191793,1942948.08573475,1619636.811139489,1542167.204890915,1428252.373307682,1458930.542098299,1296024.531349792,1065287.132617598,1212908.314914036,1576557.269095589,1530410.273489368,1692115.34873505,1525033.95706183,1953099.434562852,3004597.66438304,1839532.180852473,1295735.484839792,1497074.568677682,1264234.7817061,1152891.172891021,1587618.522227616,2287787.356101381,1589275.685713688,1471913.894749678,1837833.945606796,1563161.281498866,2131110.412362904,1630645.12448299,1906082.111045028,1501995.226597598,1644321.011300802,2476153.451457618,1517963.574338548,1619263.204729268,1532580.649221742,1435744.296916165,1580318.998720315,3405536.58223476,2574743.992970747,3461324.791587925,2863137.778237725,4287594.551346233,5125653.533767689,3816493.474858538,4113751.854945642,5592051.069308703,4427342.263744151,3533426.073117277,3938012.425109285,2268905.155318274]
["Com_3322_pos","o-Cresol","o-Cresol; 2-Hydroxytoluene; o-Methylphenol","C7 H8 O",108.05752,4.863,109.0648,"cpd:C01542","map01100  Metabolic pathways","HMDB0002055","--","Benzenoids","Phenols","Cresols","--","--","--","No results","No results","Full match","Benzenoids","Phenols","Cresols","Ortho cresols",25818660.07098251,29949184.32491662,30356096.44437749,34126744.53831822,33076163.1730063,8152661.236661983,34642618.62193017,32643442.56193686,29873241.46129269,34854069.26685584,30237707.71332162,36749368.44210943,30600882.38008862,30327216.62093402,26352289.09143683,24253568.68242977,18613125.6197416,30127975.02780499,36829649.62176793,30022476.68864862,26713383.87345909,23490390.95711236,19066274.98855714,27965772.40254517,20570587.06088134,30343414.1472475,32543680.52387397,25463032.26491205,28329155.67624572,25475680.72108253,23349161.99708619,19525916.81464268,26344493.62131452,22167142.18008576,30119085.62793972,20325895.83901737,22375659.97799669,22868725.0962974,21309198.95455866,30433381.0440622,27206343.76745419,27913956.34517321,31869189.3622744,28974607.49016191,20197527.3743712,21677468.51551608,26145151.38318476,15754602.3072612,23631986.1700666,22100182.96249839,25896800.29783651,18591355.41029247,19588084.48126402,16491966.34800394,20548489.05556508,23803224.50808296,23563847.37454532,21266540.72342981,34117356.5430049,31454452.42884437,44561994.84059104,32244183.97292006,29170370.07386015,32848637.93880053,39443557.80959249,33733495.98241532,32153676.95282726,48072344.07394,34151973.13890673,28574638.30475323,26719460.2156493]
["Com_3376_pos","20-Carboxy-Leukotriene B4","--","C20 H30 O6",366.20284,5.871,367.21042,"--","--","HMDB0006059","LMFA03020016","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Eicosanoids [FA03]","Leukotrienes [FA0302]","No results","No results","Full match",{"$nulls":4},4372089.888742706,2968912.167959904,3595459.213694022,4083093.802338377,4956933.711041264,4093267.480706926,3854868.162510504,3391097.452133159,3253362.712110688,3938889.479458053,2866719.819052184,3417199.242102862,3260981.656039668,3963680.096926332,5317477.309936488,2871271.803633741,5643733.755337077,3625631.145518374,4576835.667362927,5596750.386093434,5243334.402528118,4600458.476944192,4017117.159481924,4371023.880672744,3386423.744198481,2588430.522268333,3754570.352642202,3522515.567499549,4040769.61169778,4226247.50851728,4187310.237764668,5659121.357106331,3092720.509465981,4053315.581945924,3626849.687222246,3958447.656803003,3489815.468959621,2695571.584202174,3371170.124135025,2922165.753794501,3820955.568240928,6080826.592720076,6522767.470671847,5955151.189000042,4906045.753287234,4332188.644016261,6719690.467289344,4497893.894480021,5039196.316664123,3280211.812015361,6124021.56573995,4446335.275292288,7233099.430990982,4530528.305873342,4727488.810128418,3391461.95611511,3416902.216709648,2848991.049455834,7658289.31392979,9145677.644734155,7113381.456853474,6375559.04455222,7901612.645161721,6964162.25434736,7359584.194040501,8007048.990131035,8398272.262551408,8044490.935585997,9559697.308486946,9248635.538581632,9031773.195572298]
["Com_3921_pos","10-Undecenoic acid","--","C11 H20 O2",184.14622,6.436,185.15363,"--","--","HMDB0033724","LMFA01030036","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Unsaturated fatty acids [FA0103]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",1684552.793213849,1252447.711194514,1750238.623158346,1420606.484891245,1500663.663116814,1261106.224312045,1131158.170977847,1347672.791084453,1141346.146695692,1258307.02226974,1650930.381407495,1267941.600201925,1550446.630077514,1720505.615383863,1438280.944534302,1149414.759657947,1407686.625534206,1710326.083305576,1638402.915247541,1358846.62414894,1438218.468654847,1233893.193573902,1480101.732034571,1162590.840634893,1161713.504819874,1123336.306286018,1377667.280973611,1557413.55592455,1508304.498126664,1569966.942933872,1717347.391249827,1410742.610111495,1447317.490527016,1561605.550205427,1437281.965898534,1718408.176621597,1257925.438286519,1188355.503327694,1548608.570363287,1243229.467268934,1821247.615444372,1531553.497035275,1582593.892289293,1352085.650846872,1585172.128899502,1326007.15975556,1553567.391924291,1095220.121890541,1924647.230115616,1277196.673159471,1494532.536221087,1421818.549068725,1148135.864268575,1415724.975841977,1626833.621833438,1536728.101692883,1562170.984265491,974620.2283670086,8085289.66706587,8216971.18200361,5716261.091558475,7271282.376155295,5658982.87502439,4637093.95486932,8400930.569599826,7836255.521229793,7340041.739370962,9003659.378463684,5890732.08249665,7391384.396778536,7050781.253060075]
["Com_4236_pos","Pregnenolone","Pregnenolone; 5-Pregnen-3beta-ol-20-one; 3beta-Hydroxypregn-5-en-20-one","C21 H32 O2",316.23979,6.561,317.2471,"cpd:C01953","map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04913  Ovarian steroidogenesis;map04925  Aldosterone synthesis and secretion;map04927  Cortisol synthesis and secretion;map04934  Cushing's syndrome","HMDB0000253","LMST02030088","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Full match","Partial match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Gluco/mineralocorticoids, progestogins and derivatives",2876997.881957039,939738.76464425,1447610.425933801,653547.0535635019,826138.7455517359,1708120.782435153,1920512.067367486,661548.4668109514,2326216.632622455,626383.5381244214,378095.5228254271,982195.7410408212,875468.8972611013,3423752.165589577,500986.010810035,1585855.805105924,1530160.078553862,1532361.444288576,980544.5106832228,1221133.772121209,521290.323710562,967081.2595140171,1411930.211916675,1912764.093376945,384717.2119359212,1084226.957744255,845618.1162001345,908004.047467477,761168.8080743874,2047163.448820331,939355.4800179134,791371.4630342327,1911380.925947617,1868192.369191641,541967.402894064,804279.7593790495,864879.6937197881,483901.6529659177,1491406.634752188,533420.6870799125,1814518.047446003,2737387.982054389,1451061.548965633,580922.8836497125,545943.4517829276,820606.8226799457,599228.3206875564,1082078.550769298,669866.0774971272,1104362.182751028,5131297.009978074,771619.0135467536,772263.8282414223,582763.7424781062,402103.7403413481,1481182.512088387,3123850.435199341,891120.7038360931,4794469.43555356,3552974.928642655,3272917.394174742,3430580.911129036,3495152.524451038,4239324.256869041,5039798.118377871,4355771.625962932,3336922.684383675,4269675.455838853,4179534.030868674,4473199.605314091,5105276.211563348]
["Com_4649_pos","LPC 18:3","--","C26 H48 N O7 P",517.31612,8.484,518.32324,"--","--","--","LMGP01050128","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",5359215.485580716,2286221.867645534,6300632.250693794,1884342.281150491,5855742.362115079,5084609.775634119,4805642.234340531,5358454.175894158,7328621.790809069,9992268.60929537,12616305.30788534,7663160.247943947,5758324.997482948,5103960.958402248,7562434.79485379,3553723.768979144,4342976.279367066,6365486.011218621,6798280.489590401,8955804.263090564,8790396.738842132,2485224.906456966,5165077.015577612,5616982.270017899,3650054.913281087,10928771.34902992,5411589.042747489,4527259.85091647,7421031.450774068,3259681.943421165,6088115.948427067,5185084.245415862,4147458.121119838,10220763.17683232,2602569.26871042,6658088.416801859,3617093.679330392,10477053.8494676,8700869.785079673,48409437.81769487,11194406.29016842,2372218.200173241,4293806.659746532,3171032.434504314,1404185.399681627,2138581.853431391,1421049.741508541,3136543.645520158,5991215.467201908,3017128.427562224,4309850.036691563,4222731.807926234,917043.8812193047,3006216.93974861,2473574.825576609,7327460.884913037,3474924.222335596,3799313.183362143,4079966.06844874,6485864.021409231,4669928.422947254,4199112.05435858,4563026.475916463,4788100.764493325,3740109.647096158,4679856.145473558,5284230.50340902,4092182.191598097,3530252.274704819,4377148.979516243,4104213.2721355]
["Com_5303_pos","Acetylcarnitine","--","C9 H17 N O4",203.11589,4.929,204.12315,"--","--","HMDB0240773","LMFA07070060","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Fatty acyl carnitines [FA0707]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",1026697.504362957,944684.5181370282,1396043.328092661,1186213.804178537,822867.9199213966,886454.7843255398,1035735.976410257,1041422.925720202,871475.4199717783,941319.8562753348,821543.1613627758,1092244.506678207,892215.6064877085,1045223.5368526,1037269.926161855,767284.7968247506,702775.3514222754,1044834.947133053,952124.0552404583,1091181.556944409,887052.9089051712,848760.9637088656,761162.530986675,966859.474849091,837880.19299263,946739.0401907116,790558.9918414762,1474871.623081778,1087258.224196486,693643.3283941216,860167.0278163592,740227.7958573797,774412.0961668255,1261209.007827497,930099.8434050828,1592627.337090674,699378.5302653066,950762.5029776676,1573466.673334598,1764058.349898118,846630.6446310836,1121701.95193792,987122.6983647976,830394.1201170908,851596.2392093891,950969.305710232,804549.4350569346,776585.5328823291,967784.1495722634,727747.1238069907,804922.1919875949,686471.4683478987,856786.744662856,718829.1545422132,980114.8956464158,759643.5183616789,666408.2226164973,821839.6517056354,3472650.22637966,4692298.660407925,4061877.394178574,4680823.107216613,6244733.273171618,5307380.335054614,4868648.555749306,5935486.069512069,5046773.181788457,5474319.401961452,5940709.625994091,5648479.789891232,6096937.523791038]
["Com_5504_pos","Acetylcysteine","Acetylcysteine; N-Acetyl-L-cysteine","C5 H9 N O3 S",163.0302,1.407,164.03757,"cpd:C06809","--","HMDB0001890","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",3489407.393381117,3033412.332470508,4478865.518860109,3296787.588361006,4511098.78953066,5420501.279668836,3427325.972075901,4468079.566126754,5321106.929701769,4097289.01645125,4327124.293614356,5563476.233982159,4351582.085222157,5998027.101001631,5984913.342705549,4078079.84654782,4363299.007566577,7662847.644841959,3974710.139827956,5024608.92719535,4281428.518703517,3797767.741260143,2533170.739213775,4169922.61351435,2916894.299627695,6011718.677189431,3951613.654824647,8396443.534888376,4739962.524366258,4970888.350984784,9228165.729949145,5669697.186703138,7417831.145996296,5969675.076257852,6668413.678601921,9487954.591178812,4246634.561717424,6493527.585920101,6046407.160868185,15819860.94552167,3317004.365756059,3542294.046629245,4865510.101808938,4318030.361892174,2350814.827296196,4860941.294102295,4212439.907813664,2873548.102765312,5744448.588814493,4487745.259536641,6650006.132992602,5214397.052282702,4733337.719425373,3648677.74041324,3593422.37632446,3713341.037356025,7665614.041490952,4431032.890248579,6919350.23816003,7542345.007523181,7276906.990155122,8629592.909564111,7213248.75694996,9703362.41879613,6771197.214640574,7024908.199204567,5657460.505116512,7463044.023235387,6205397.307079745,6773933.248491815,6923668.452228083]
["Com_5588_pos","23-Norcholic acid","--","C23 H38 O5",394.27132,6.319,395.27853,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},1281353.421152127,630170.8480395812,790764.7556538793,670236.0016225337,483754.546196383,522626.7182609878,835879.967744624,655331.4432036666,719173.3729073518,395310.2748526562,525084.9863935307,518723.4372547046,536080.7674562336,677518.0498699885,500221.6171620151,741704.9962024275,1151195.302644003,662831.1836090437,500801.8326214389,707914.9069590879,623084.5914468615,1754908.781355541,571273.5103561883,700836.6184216602,556860.4741856495,648655.4069930115,983637.63985865,566947.1137926084,474180.5558045355,617119.9893336276,553516.6799760674,608960.0447046406,575802.1938202324,520832.2127927892,594799.9118262223,584508.59375915,455309.285341147,544181.4568581546,570422.6145896487,564644.9620603978,929766.7253762998,919419.7462657024,673004.542991339,550431.5693597471,754377.4224650434,760129.7480261148,628007.3450082208,609998.7670694343,669195.0798566154,940111.0890758162,611145.9573097839,793840.6487000633,427855.3484092018,1639647.931436198,673176.4884329364,549139.3831582906,582959.434489397,900422.929312443,5037986.29600565,4895062.742381717,4779269.859114585,4512907.344252436,4023539.348104353,4750017.078214459,4479636.739039946,5758145.793768781,3396696.777446113,4830363.465663992,5711060.620731683,4768934.859204363,4660509.823560474]
["Com_5697_pos","all-cis-4,7,10,13,16-Docosapentaenoic acid","--","C22 H34 O2",330.25533,8.801,331.26276,"--","--","--","--","--","--","--","--","--","--","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",1016858.450811003,880264.8706941715,911722.5175310856,1067020.607332119,1153547.428421983,747840.6375220056,518598.6372199434,836574.3973092551,522654.9248944827,626072.8129322247,934775.7752693532,496217.6943792495,626041.4831357799,1494789.914649755,699178.3418624001,607553.6966864036,1041508.784540076,536051.4749922839,679816.4141225234,777406.0520432452,606739.6172744987,680872.3216935009,578486.0991506047,646559.0641295279,1109459.231039684,820277.0276122425,741068.5323156479,638318.0551288326,663688.4068251826,493512.0731736261,970283.6551143762,617473.759500342,907685.2796405356,635482.6514712854,1079926.157202552,708475.6456440534,698566.5921413442,526765.9691986253,478260.1684929884,683712.7392616521,781164.6943876258,1143099.307029316,817930.4939890535,839381.665548448,1056670.872913959,728789.4533944026,807431.2476909797,619200.8616563973,585063.6718153224,1287945.255561029,756186.2868784501,630998.7935856128,815434.8791758468,704503.1662873569,945898.3660317758,1207556.530779818,723768.9593347869,484190.2470938779,5809123.70355882,5226222.527777302,4482839.769281145,4263707.508777515,6677971.381140354,4865844.910506676,4445345.939963868,5061233.558702024,4685150.763202244,5057338.682599475,4410925.377635679,4853315.497304356,4848177.703208863]
["Com_5848_pos","Tetrahydrocorticosterone","Tetrahydrocorticosterone","C21 H34 O4",367.27177,6.582,368.27917,"cpd:C05476","map00140  Steroid hormone biosynthesis","HMDB0000268","LMST02030100","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","21-hydroxysteroids",1960522.210984319,335568.5683831705,774688.4925250977,425787.7827652796,321274.1876868398,1054481.333272378,393025.7876943969,260748.3095550489,1185875.402297132,332227.374936365,426296.7510622059,355960.1776019328,408274.8970500125,2254244.205526613,286739.4999219185,460364.9306103578,403251.5168763938,667360.0963573263,1220730.167695951,374731.934261262,280956.0395470922,501010.1233094247,536282.0070916387,363753.9034640914,275650.503564859,865569.0077715337,206493.6406003217,698283.5622587585,298405.3729639563,609304.5088561181,999229.976434021,900971.762630052,484230.1175427706,2090574.722555273,277110.0786434312,715950.3405180082,411963.1841608189,628082.4948095004,668844.1646148469,565584.5960664466,2480162.392263243,1513249.883846833,459669.8952264906,564154.808108558,668056.9662659034,840934.6790470075,677016.1586826654,1423042.99465452,420926.7483537289,939380.0649503384,1179504.614337587,1201338.241297571,1142057.878103227,689095.2383329244,1002678.885126842,1403963.814629861,976017.5806357895,608611.1158458826,8574047.8398219,7095654.905809563,6086391.195369153,5474709.711226912,7194626.986044701,6557167.940961258,5539151.670747106,6322301.414861952,6380136.244494363,7667585.501218773,6044538.375431133,6222483.118579067,5554250.497343874]
["Com_6285_pos","Asp-Phe","--","C13 H16 N2 O5",280.10632,4.743,281.11365,"--","--","HMDB0000706","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",5459007.434972744,3018930.786337461,3203144.411699596,4955114.81142326,4290629.588555063,4588443.335031831,3093184.554856886,3465442.666170181,3014311.628061697,15760567.42067498,4350557.699289438,5706561.532708632,7386031.57577797,3235003.163042206,1947907.232129276,3873636.987047815,1512934.594833399,3703594.042615409,2620106.259510987,3078098.058093942,5357004.921678231,2338008.464299218,3492403.469287338,3238641.779171532,4117776.558080374,4562178.447558543,3456972.918434921,2260808.295156267,4260024.768657957,1519044.606215984,3252092.417786477,2848261.381115899,3220664.441469318,3563796.910284822,1289576.786184578,3419888.271197019,2958465.219577013,3105125.397193443,3379533.721996706,3537292.966214902,5384080.4721519,2276285.054937544,2161204.623359518,3156386.195808099,1570842.956088513,2026697.349427296,2292537.791503533,2260512.340741511,2518039.951012229,3824483.436880576,1932588.927145226,2397995.116749286,1950469.228277294,1954639.884519771,2650871.248958334,2344584.226127669,1690359.641114181,1274132.113783864,4356559.40457838,4706814.24492202,4120863.965264629,3569739.544916262,3614224.779885868,3244468.477080479,2637189.565728674,2860812.561515704,2691912.497295187,2419506.360158863,2026349.936799293,2396814.462085491,2206335.85896138]
["Com_6444_pos","5-Phenylvaleric Acid","--","C11 H14 O2",178.09934,5.711,179.10658,"--","--","HMDB0002043","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",6537922.982900838,7721699.00693791,5735826.780477223,5324086.811683414,3544598.571003654,5270326.592655079,7919842.649791271,3378815.691373705,5236173.791128842,8261564.922817335,4989943.466969444,5039590.988077189,6104058.193856631,4601821.666322892,7721680.024774592,6447540.427313447,6338318.43261557,3355404.532041506,6675084.270640976,7411602.214271275,6830760.620349699,5883841.640932423,7566277.718023055,6773612.710299302,7839261.406656299,6430605.868887502,5610889.276949511,5468157.579014675,4960207.845949415,7224940.927704227,4727745.430666746,8293951.840546332,5536789.756837359,3366696.552647295,5289530.216327699,6440839.22337126,3965754.853179258,5338169.841247723,6232961.250675658,6019191.00377611,5694287.362131128,4072053.793336005,6128233.351919556,7445175.076557089,6379198.841573143,6471146.831168634,9535277.890288915,5185366.367378479,4043108.114321672,6363943.607715258,10450239.47810655,6750006.392173937,11490746.15355667,5003731.506444455,8796992.652442817,6476308.490006615,7394491.822322594,4116970.182079693,4431153.98152755,3939465.057505459,3756472.409125793,3653347.030683209,3290771.409522051,3095821.010356233,3141665.368951566,4462623.787864445,4343734.024534154,3717952.688580937,4950327.074498416,4998752.973399444,4030562.915995736]
["Com_6503_pos","4-Methylvaleric Acid","--","C6 H12 O2",116.08361,5.844,117.09087,"--","--","HMDB0000689","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",2679977.82781185,2404090.797205407,2599763.615885244,2952356.869224444,3584203.057912032,2959713.136474401,2962240.657143689,2451996.045567488,2585009.902070535,3721138.369936083,2072835.050978626,2470869.429978108,2748847.72565666,3179713.666317238,3844900.808780172,2513778.627353629,4080806.595993658,2621579.992018551,3309366.102270742,4046834.397547877,3791290.40143022,3326447.01383287,2904651.23125109,3160550.064330559,2589495.104754881,1871612.80217285,2714811.882416562,2547020.356647557,2921753.576471143,3055866.817379488,3027712.500006346,4091932.887473502,2236249.051022049,2930825.173460178,2622461.081247461,2862229.156806238,2523375.942577673,2464232.159944594,2437587.220654653,2112926.264708096,2762812.946505665,4396854.696626927,4716408.263107502,4305982.759946724,3547407.574166384,3132469.524607206,4858797.096163207,3252285.786039425,3643684.563982719,2371818.122368024,4428087.624765429,3215005.368078056,5230026.990474694,4153079.940322165,3418298.657447216,2452259.606946949,2470654.660246517,2093938.420427,1905436.66303379,1823148.076896594,1313281.158150884,1038029.151961187,1725575.892562757,1949294.171068482,2100738.977241807,1685368.825208987,1652042.617754137,1507176.326630674,2725669.821158886,1040781.132762138,2373290.412677793]
["Com_6986_pos","Feruloyl Putrescine","--","C14 H20 N2 O3",264.14754,5.454,265.15479,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Coumaric acids and derivatives",611659.4247451321,642509.5651817062,500773.3003252722,489242.5834755324,678150.8890885613,385601.6714428001,1097827.002185989,376568.5330643661,526319.512698285,773177.2657023983,577595.8370849405,630259.37092012,433706.480784325,905412.9423603042,637900.6519862887,740376.5641176162,667034.8939549723,450145.9475958563,447631.0309584758,572005.8448634981,565729.5265580344,1623859.576965011,811782.866324117,795858.1635559781,570797.7025900073,477792.8416682944,444932.9479937231,462708.6952893252,408340.765311338,912837.44276154,685551.9038211007,576888.5500667979,566892.964136059,580780.1557874827,535655.6775039497,627168.9661464945,542780.9558365998,480819.3303746617,418928.4410541148,483896.4866075403,665732.8475897097,649444.4093773399,605144.7705154029,854019.4264249858,662757.3865683998,686185.0960188132,662826.5578889471,534243.146473882,586322.596171272,1235976.428527989,3655028.204847,1288848.434949539,652341.7753627653,582120.9855207832,585888.1001635661,591764.7780981224,489458.0026310917,536858.8910674554,1481518.70546686,1986266.93039968,1363405.302605079,1705613.33943226,1438491.514324739,1600251.735679507,1399715.800781118,1458653.9076885,1282838.962914125,1433553.757979368,1972254.673149286,1772951.251406357,1701112.964890787]
["Com_7405_pos","N-Carbamyl-L-glutamicacid","--","C6 H10 N2 O5",190.05889,1.32,191.06616,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Diphenylmethanes","Diphenylmethanes",8631929.169422515,9709243.769784756,10534271.34601137,8880138.809548454,9387093.00513092,7868427.050055596,7765898.158205552,9566611.007446414,10168431.46351944,11601725.82973968,8232553.757278791,9990065.6226502,9880303.707349785,8531753.31989756,11032471.3244077,9822386.82105874,9668202.128690653,8545240.263546044,9258776.896555848,9074451.766872508,8325161.240085039,9274059.41551213,7564962.82721173,9857337.52572852,11067629.68332718,9016203.093904886,10707212.14503628,10926504.59818673,9012596.637101572,8544782.34213665,6799088.104595203,8814914.466201503,8554904.449345805,8121225.737876159,11164406.7467769,7878385.238629659,7134943.327027063,7280897.518494681,7280276.164958831,8957795.387583215,8487921.707842741,6999855.7441754,6892333.049664723,7966059.685221355,5544131.623315296,10004073.30937733,7362237.804680706,9675883.665592048,7481710.0439241,6315590.878382329,8055268.712756345,9125890.467947606,7832316.862491244,9447249.704905022,9325334.967506137,7831190.249207974,8355727.521946945,7681600.376771624,11542417.6252199,7650806.863424553,9320998.027644388,9432431.843233507,9057626.248456014,9329231.118654111,9976204.756307008,10922065.01172425,9311785.447760716,8389766.47741916,9671197.277401874,10939689.8392183,7921972.158753739]
["Com_8768_pos","2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside","--","C11 H20 O7",281.14729,1.245,282.15457,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2162498.187073607,2028221.701874832,2147409.807060071,1826777.855608286,2175467.199218245,1921666.210952493,2186975.836625259,2044955.803316053,2116750.725842152,1953310.610455461,1779369.452777364,2092700.061844653,2003779.1568445,1866482.102343618,2306119.764517769,1945873.703334739,2666940.527157784,1812096.158618458,2147195.349234546,2007862.318797257,1850734.086465773,2079082.228777517,2045741.586541804,2213003.661586076,2141473.419821754,2066828.415104285,1868286.771528987,2291272.971911938,2334929.636102697,2602582.458234771,2844854.882363397,2555938.284264629,2658059.870073209,2991987.738661228,2080908.724736598,2526767.97823066,2149800.327704746,2621373.743497026,2200967.052221296,2589967.532800336,2691865.84254971,2606230.108960663,2569813.644082082,2518139.576093889,2400890.76523728,2386486.62218684,2235105.662748328,2264432.902882698,3207197.546005076,2129432.748882192,2608073.210753768,2505981.29576293,2368330.489056048,2942753.621287795,2178947.658052998,2249882.689748396,2236158.346544083,2420396.733554132,2501730.12192394,2446827.83794081,2444720.488913956,2361185.624441576,2473841.458568426,2418293.133522955,2306472.527260932,2262957.68683048,2398300.417911289,2382250.304497189,2440335.32450643,2999025.905250707,2279193.355915417]
["Com_9765_pos","3-Methyladipic acid","--","C7 H12 O4",160.07374,5.439,161.08109,"--","--","HMDB0000555","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",1939555.532721205,1760820.830628061,1667419.627452489,1356084.869306037,1284211.030405125,1544554.691942188,1365197.772804161,1205866.07160108,1494128.660523261,1376430.763206746,1346046.877917991,1406670.38323063,1389556.505211019,1469616.458637051,1426304.74212032,1746873.217478643,1931798.505638949,1481333.353169752,1241571.423517964,1683246.195675902,1617145.02327989,1865736.73171646,1970139.454595591,1484497.10853927,1434140.082509011,1545956.164920927,1236234.957944538,1770659.725794554,1401669.953871048,1642227.149726146,2471129.615799792,2191173.113722286,1823960.384912965,1873858.926802575,1827502.948739428,1916583.675640576,1795245.274148639,1861661.214031252,2748038.331249895,1440643.57666829,1696203.558100998,2098534.072667788,2186060.377228246,1815919.22110404,1915624.768405349,1883960.684014721,1868108.654127833,3289459.477847255,2457264.858249802,1847820.959186994,2060813.801401298,1640659.809560947,2279928.391517305,1911752.075243101,2734482.93004405,1685748.750124256,1613002.799100305,1578400.929743363,1775757.68438582,1662618.083755786,1636968.978702095,1695719.883979363,1643564.393719218,1744893.622443262,1400587.243242574,1401645.563524649,1470929.925093831,1943381.941352945,1610414.921535903,1828930.784756339,1836911.50004276]
["Com_10842_pos","LPE 22:5","--","C27 H46 N O7 P",527.30017,9.121,528.30731,"--","--","--","LMGP02050070","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",3687640.313944581,4269488.939085268,8059946.00381235,5232943.92911992,6374915.484712088,5964871.620802515,3416075.050564199,5072310.226747177,4659540.868229821,7110888.289045852,12401583.6127895,8388484.194789961,7263214.913586408,4954036.141216537,3587764.331321046,3064570.689139869,2502136.434099501,6905932.558216743,5201918.047375983,6756278.182877762,11318548.33116552,4793287.981010908,5023783.30077544,4813297.956684393,2996186.69462368,7413660.822516851,6007402.280630651,5908065.450099754,4687829.114104637,4292703.423647405,3519371.354792812,2955107.701504217,3929163.768967254,2701507.385723265,1693217.478261317,7022716.652941297,2574968.510892934,3054959.439000564,3510383.715981096,4496301.681467204,8809978.475576041,4834479.861618265,3897794.739884419,5496893.529626384,2627334.565888473,2217450.824729889,1506861.010949951,4281814.926342946,3290731.256277336,3596342.928976864,2866605.608656205,5002525.006636639,848735.2352669018,2248024.618577418,2028911.213598009,5404503.651182449,3976261.080065726,2836879.14745275,4976830.02104185,4971015.465157427,3234459.801419203,5211776.931357531,3483030.077443005,4074659.84606956,4492682.925572298,3543089.988688956,3548471.232229735,4007806.866660021,4212786.823288023,4331865.502057651,3313816.834705231]
["Com_11124_pos","LPE 22:4","--","C27 H48 N O7 P",529.31633,9.598,530.32355,"--","--","--","LMGP02050057","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",1104476.157133717,1026260.996248195,1649573.216354606,1234087.707801834,1670933.302338113,2865549.714104676,755688.4725978702,1250662.240652104,978939.3876444412,1198152.087834016,1841806.463646074,2347161.307340136,1735960.277064807,1203561.461619792,1256391.573295154,1077377.822870316,1134820.173439103,2081590.113725841,1698493.713936479,1778746.333487829,1737989.225235096,695106.3797562493,1181659.75219681,1809165.99317078,1788113.014080654,3528583.851105715,1752961.529027427,1649194.360777162,1170360.894769493,1622327.609900421,1390360.873384469,1576110.838832418,2160041.566814389,2008057.63209096,1102282.215103294,3217310.701978418,1987963.482346509,1247522.423498235,5196160.52324767,3498566.963318132,1997413.853353557,1550508.544360005,1811517.797350627,1264815.668199789,976719.6467579588,674387.4987043823,680449.2765921176,4235402.436539677,925025.43031901,1009445.349854082,658846.5769264491,1268868.494022571,456361.906493383,1719803.782570897,847669.7398596633,1748741.117987272,1081275.624835733,3155719.507657289,4503031.99102339,5423377.793950865,4810100.337389663,4266934.250557764,4013953.346979813,4671688.717952686,4486022.100132987,3256470.956116965,2971364.115305234,3575404.183403709,5922910.500589948,3069955.578046345,2539036.106897048]
["Com_12243_pos","LPE 15:0","--","C20 H42 N O7 P",439.26945,8.692,440.27673,"--","--","--","LMGP02050074","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",56427.66984283372,31411.746154377,32963.27798146765,36509.76589841626,34833.77186121506,33068.41608781761,31537.62797661411,34471.51074099663,44220.06549688682,24874.51139451303,30090.06988050714,32647.93310086273,32136.86402260076,35180.84697586505,28243.77900361079,35689.59924636663,41906.35192529042,37333.51802414493,41852.42158255877,30490.91616298294,30086.48558292651,28830.07540610548,55341.1863006926,37876.36346622908,44001.75024226434,41735.96106691311,35210.04432300602,50348.6036945473,30297.88712586273,36240.55746877365,40931.02326340604,34216.68664931775,33683.84386705411,42079.90162583059,41898.06970909766,50119.70764519212,39474.57957092302,41353.59528214284,46378.28814029932,50181.50895629831,43484.37693806161,115476.330915965,34449.92139040835,33731.77506728908,32740.61879776913,43787.772382658,44188.5733907698,53129.13005072901,32484.12448535945,51861.05736607885,42537.04011302183,41030.57131055965,37495.21333872026,45200.25732813875,39863.25060668434,45344.51389199859,38899.27110344676,50740.11508193631,2179711.95181414,2237757.963263173,2020988.17245098,1476778.296311203,1508925.313169025,1269246.275149244,1075887.479678894,1256536.868849032,1130580.931842641,1021854.145959005,1119216.770313554,1101807.1316196,1137717.779327159]
["Com_14482_pos","LPC 15:0","--","C23 H48 N O7 P",481.31625,8.823,482.32346,"--","--","--","LMGP01050016","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",1478451.549326212,1411068.746574148,829031.3243193448,576399.2276202308,1677806.698014916,1064494.71711249,877679.14749622,1033675.875375432,1000521.407318219,1153354.870499629,729354.1148361668,1399911.69196579,962403.4467284576,863329.9875651427,917847.0844897708,742497.4970626662,1109811.503115317,1550325.799632622,844464.6187036029,580999.6923136472,1057183.359909642,622278.137390178,1191095.08489779,1195270.131322177,1038424.350404426,720606.9815606576,1046002.540006975,949578.1559945992,1076927.029804706,1188796.34728867,414294.6693605501,694482.9666742254,776897.3290657313,695172.1387283243,469583.2686436456,1065917.155164686,702351.0692779414,1017464.1593363,692919.0465363647,1949648.723344454,758594.4579799629,932136.9642656771,628523.3761230154,710600.3190011143,574863.7956838406,784351.5358784834,849759.5679190991,984627.3235835264,691369.0329996134,958694.5117484984,985960.2700719543,480141.7481222744,649476.3678465141,779348.7599314525,879703.9142671321,1156089.080411163,785252.5046201303,572972.7157840824,2668778.96896158,2260169.804350438,1892162.250829325,1979236.028094476,1878498.846796477,2223076.30380024,1814086.235649557,1431674.674275594,1699074.780856549,1790217.666378275,1378008.722094824,1409077.302751203,1155104.108862744]
["Com_14721_pos","LPE 18:3","--","C23 H42 N O7 P",475.26916,8.495,476.27646,"--","--","--","LMGP02050043","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",1579684.490414075,1048070.886252617,2201634.072981275,516970.9445765119,1726144.788676739,2071914.824067753,1405015.083745639,2821660.369256575,2524043.472273136,3258126.842146632,4863486.543922023,2048956.185263019,1893637.814194373,1710271.811645398,2921715.464099754,923644.695169936,1256012.599431601,1744894.573445592,2172440.527447219,3465447.747591496,3063887.339619418,757815.5546318543,1668673.395238103,1564492.992017624,1057882.311135128,3351886.564656165,1780600.951969165,989194.7696593768,1437391.376994093,1131689.135753304,2298043.683912685,1583753.315960024,1620101.636644433,3693119.703315742,923920.342597294,2320111.270945909,851334.1688859765,2371240.055610551,2369845.101964517,7371993.079086939,3703462.126007321,609766.5591977205,1795247.273181594,1476037.73513969,407028.0530488609,498461.5931739189,282668.6468532021,500751.8481114251,2157667.848717626,1138448.068567943,1586885.358974432,1291301.21853564,233346.5535011165,666420.8097699331,584408.946322839,2520903.91345529,1088550.425997509,885704.824805187,1118540.25698587,1391246.482352341,1339657.196040227,1168975.798814953,823923.8272383397,1023482.833694645,777723.8495224017,1045933.60149226,1136857.058692273,768713.3298637954,1020657.100231892,811507.4474541431,825177.977995767]
["Com_15535_pos","Ip7G","--","C16 H23 N5 O5",365.1686,1.393,366.17587,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},1200664.753000904,1597889.315196235,1137379.0074045,1235066.740138074,1016781.19436269,1212311.966902188,1079569.690745465,1111491.780834358,1286113.529247286,1096739.352060636,1110795.880121253,1125079.200687012,1105931.493005446,1167881.229359648,1029438.537552217,1082509.838617301,1528234.79470202,1129961.259151417,1046074.94959137,1139443.681750013,1197253.217326089,1286903.805415683,1077865.955869637,1218893.802427586,1136960.241653033,962507.617807348,1040381.308148191,1200412.938726108,1021065.072903914,1306566.870396167,1215169.862304298,1297747.255754284,1338922.701772886,1422190.965373633,1061294.492926836,1218771.701781446,1300748.284344729,1265395.357335207,1009163.2547273,1470496.516068932,1359677.624413149,1347336.468706518,1215213.725584895,1196325.916986009,1213271.216823534,1037056.311266164,1342054.236900918,1585727.722889696,1305928.80306009,1336847.658684124,1478815.572039833,1236846.683047426,1227905.735359912,1203604.103119654,1230462.282617464,1495218.014355911,1093992.14297759,1305135.825764522,1251790.25873214,1277213.863668442,1315449.604143561,1319226.022632662,1576221.806900038,1466240.350432001,1627241.356862654,1257028.672584412,1391167.986895702,1265653.246849507,1428855.001467809,1285817.978406756,1384267.810330056]
["Com_18262_pos","3-Methoxytyramine","3-Methoxytyramine","C9 H13 N O2",167.09467,5.221,168.10191,"cpd:C05587","map00350  Tyrosine metabolism;map01100  Metabolic pathways;map04728  Dopaminergic synapse","HMDB0000022","--","Benzenoids","Phenols","Methoxyphenols","--","--","--","No results","No results","Full match","Benzenoids","Phenols","Methoxyphenols","Methoxyphenols",1794834.930336952,1327547.630553121,2269942.883923938,1272913.009500209,2527417.233083392,1642792.189561874,1931375.487339356,2900798.448269368,1707003.752561836,1696211.592744124,1699823.171322084,1631088.441131551,1397578.858130593,2331640.872884456,1428165.411239782,3017281.258500753,2085267.791100955,1934315.055959561,1922764.902336041,1778926.576505274,1828595.886354406,3915261.752071131,3314281.175885476,2365549.320500873,1698776.402810546,1165242.675869213,2121560.008187329,2712506.247083236,1623672.901297712,1338421.370165513,2522529.320250182,1635343.795229928,2363526.356061498,1921501.952314601,1412430.106102878,2205376.703416981,3512850.144309808,1293211.049421511,2879302.671002872,1191585.233020389,1220004.695108275,3158498.596490427,1343293.598995999,2269379.385016808,1250197.832607649,2748297.634632142,1087300.983337536,1000149.565322896,2391764.749449499,1998318.433074238,2008309.762351853,2810444.908330014,952715.260363287,1536336.414266326,1765689.874171003,1518444.694125195,1805207.914443275,3016501.021911942,1004453.71880103,1130231.551125079,1064310.870371781,1268514.938300202,1361519.247204565,1104723.220440174,1099926.45183566,1207090.855382593,1327534.627194938,1192677.968253663,1212320.462564545,1071049.648890485,1100562.686614958]

{"sheet":"Colon","index":1,"n_rows":1266,"n_cols":95,"rows_kept":562,"cut":true,"bounds":{"rows_first":250,"rows_last":62,"rows_between":250,"halvings":3}}
["Compound_ID","Name","Other_name(Kegg_name)","Formula","Molecular Weight","RT [min]","m/z","Kegg_ID","KEGG_pathway","HMDB_ID","Lipidmaps_ID","SuperClass(HMDB)","Class(HMDB)","SubClass(HMDB)","CATEGORY(Lipidmaps)","MAIN_CLASS(Lipidmaps)","SUB_CLASS(Lipidmaps)","mzCloud_Results","mzVault_Results","MassList_Results","Class_I","Class_II","Class_III","Class_IV","all_A1","all_A3","all_A4","all_A5","all_A6","all_A7","all_A8","all_A10","all_A12","all_B1","all_B2","all_B3","all_B4","all_B5","all_B6","all_B8","all_B9","all_B10","all_B11","all_C1","all_C2","all_C3","all_C4","all_C5","all_C6","all_C7","all_C8","all_C10","all_C11","all_C12","all_KA1","all_KA2","all_KA3","all_KA4","all_KA5","all_KA6","all_KA7","all_KA9","all_KA11","all_KA12","all_KF1","all_KF2","all_KF3","all_KF4","all_KF5","all_KF6","all_KF7","all_KF8","all_F1","all_F2","all_F3","all_F4","all_F5","all_F6","all_F7","all_F8","all_F9","all_F10","all_QC1","all_QC2","all_QC3","all_QC4","all_QC5","all_QC6","all_QC7","all_QC8","all_QC9","all_QC10","all_QC11","all_QC12","all_QC13"]
["Com_17_neg","D-(-)-Lyxose","--","C5 H10 O5",150.05219,1.437,195.05031,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Pentoses",720729703.8908074,888890631.3503401,413006797.9616566,443836692.242088,649784821.689859,450661992.2707275,434250338.8442606,458676016.9680942,488296354.949628,722273683.7314932,836992273.9543941,901454107.3556628,249174283.9224032,349297293.1924776,296039169.8454071,666835616.5773989,750310511.8848543,577115728.8276603,646654341.2477137,1211476840.16346,1268107679.862843,1246631503.751329,765410404.9071964,1290821754.668073,1143729876.874402,936995590.95601,812723897.7192633,1039633121.68429,1087513746.813846,966644751.4899668,916948593.8913268,1092409743.870225,513225584.0948672,522461332.6939151,792132048.4909626,494690105.5797722,1108649046.839666,683259692.7147585,907474396.1422504,1082807882.494442,929792636.9850632,532285216.2712621,663051924.4654901,679703981.6344953,648695681.5009055,363827851.2271399,542877594.0864992,472304759.8787648,467209288.5526491,828365368.7726256,564224587.7964882,374347666.9447259,504280588.564623,404240652.9232714,444580497.0498041,712526022.7134933,487803168.2025099,350011934.075676,1416454981.57487,1613389588.661192,1541356714.448279,1605032654.22712,1720137233.808613,1755656353.312277,1645546706.518628,1808289580.92333,1099859709.097146,1756448618.88748,1510114318.31754,1779067416.045925,1780521628.734046]
["Com_18_neg","Gluconic acid","--","C6 H12 O7",196.05756,1.408,195.05019,"--","--","HMDB0000625","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",415239598.6180046,794655106.6520572,269141695.7270214,186897305.24808,448949833.5748131,124107078.0488192,296252182.2055929,361305749.5511438,243367146.067908,377859853.1895511,381646138.5664263,538641669.4161319,243573010.3070781,270900722.7373332,220110513.6203324,461235419.1793188,218807421.539578,405658399.5494548,527787667.2529595,503758392.9362046,389618134.7998982,836114463.5538955,602503040.4690635,642401192.7837323,577399567.8270633,754099463.5755341,667500921.4942287,412377386.0438189,466543877.6541979,649196771.1749622,344721548.6888965,730856950.9349343,368676245.0560885,426560897.077809,398731432.5621285,408173377.0695394,404143816.0191087,486326420.5456962,631765946.3971802,423751591.6158636,672087158.4387969,277350603.8157611,416132578.1320066,223222386.131239,452579126.0760945,335135895.7265014,308222402.0782393,345713843.83491,435213700.9095405,443472139.3583481,438720877.7090582,220082739.5229506,283338113.5264097,187959492.396502,382935083.3941134,484692798.8124826,233981425.4529409,346165489.330959,1278678011.27795,1381982831.046103,898082139.1890692,886906811.6000786,1567844167.258857,1612883372.014486,1545872154.642774,1637303085.456826,981546304.0676476,1609460699.91902,879407155.7520992,1625288773.638323,1618191653.683602]
["Com_22_neg","DL-Malic acid","--","C4 H6 O5",134.02099,1.473,133.01381,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",678782983.4615958,470944075.8487905,449928116.3895049,1680457204.192582,2587002127.168196,115242752.6092184,1924002725.387753,1566917848.861517,2924339313.411008,1631215746.700438,170970939.2191372,131728631.8478233,2499173904.376827,2853322031.164085,2863203928.347212,2107477191.642981,1060760715.577168,2020143901.146321,2169403088.086113,2423930724.989023,1390676291.628447,681217505.7882276,4803025157.980376,1730534268.9723,3247042476.281461,476177288.4321644,4139485265.921818,111547417.5333339,1334725531.508784,2240273359.192863,2163594360.304144,2887408982.40825,2533937627.183927,1640302450.773529,1226941000.249945,1803287417.807289,805210520.4619566,2659711400.309448,1663532492.078513,144313687.0692498,124880859.4261524,574820903.2920669,1236693432.499895,1183401322.925968,1631091958.531442,1648168015.845718,1138645818.761261,2662104750.927376,620003205.2090192,462276568.6967013,2395018093.517301,2568148739.931643,2871636574.672114,1768069686.960507,459909161.6401311,2410863434.795351,1998822091.096389,408144301.4262089,1267367040.22724,2211083831.597929,1730661160.899153,1824006296.073123,1479249358.724455,1749596006.716452,1764443020.035763,1517952673.74016,1680486221.458564,1710537169.824934,1542709729.408308,1754080043.620577,1895263049.926713]
["Com_54_neg","D-Glucose 6-phosphate","D-Glucose 6-phosphate; Glucose 6-phosphate; Robison ester","C6 H13 O9 P",260.02902,1.59,259.02188,"cpd:C00092","map00500  Starch and sucrose metabolism;map00524  Neomycin, kanamycin and gentamicin biosynthesis;map00562  Inositol phosphate metabolism;map01100  Metabolic pathways;map04911  Insulin secretion;map04917  Prolactin signaling pathway;map04918  Thyroid hormone synthesis;map04931  Insulin resistance;map04973  Carbohydrate digestion and absorption;map05230  Central carbon metabolism in cancer","HMDB0001401","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",2168201819.59649,1655343477.75606,666700078.06931,476337255.2407033,1861370045.643769,53019133.43488408,1734198360.559576,3625902327.862353,1107595842.602819,635756172.8788466,73024962.61372639,190737695.7329507,1776391572.491851,2700852223.771256,3216324442.032365,1201100205.755223,319081411.4134969,1163940887.698619,1303251551.9396,77551326.62655507,151452179.5604807,109364347.6344118,73252381.55566417,171302528.0147134,64549240.681282,167734403.2374858,603203849.9514502,47710183.45489284,46570522.16915289,73014851.6197656,82297653.08493531,127512705.2064709,1230053873.400661,1201853185.777793,146197580.9731265,1392771098.60158,98489169.59030484,857595085.9168396,1883621738.163204,41622247.48475535,48843462.83209239,456194337.4743289,1299030990.551459,540417832.3453633,1015952144.260017,2993731987.030844,724461430.9999294,2112162138.604353,2117695128.439361,2436395125.615131,1514699004.059795,1699181277.918468,1173911655.819175,2885754262.213552,4370752643.668276,1259266317.192809,2311597558.496301,3779672422.625886,385817308.442119,538260827.106709,451834541.8286281,455565978.2314279,370357867.8252863,532199474.8115388,475483774.8411347,399376830.0592722,363149181.3279285,192742718.0430616,454793951.688784,413101982.9618371,461677429.1881622]
["Com_64_neg","2-Hydroxycaproic acid","--","C6 H12 O3",132.07815,5.702,131.07088,"--","--","HMDB0001624","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",37649315.32347117,169954841.1888424,97361854.66943844,165452619.3537772,41630842.17179439,58988210.98012886,142792901.2597004,21014646.80441609,96512597.35392292,172045925.4871432,474278120.6116032,1095635920.788414,12300561.08838962,33272236.15942019,22934656.63967049,52309719.14454454,315839048.0015582,346022751.8819299,393654037.354403,359834549.8533526,82835255.54622662,1637313127.878103,57641200.71918115,1643514542.692669,260783828.7837034,2306880024.523095,32688390.87642615,1507939532.311997,822420224.5607914,647811435.6609645,1423393330.805317,327140063.5844286,82166668.06322141,59398052.74338853,986595254.3224905,110570069.8495188,820441918.2330029,123573171.4406287,107984128.3981942,1767493677.299316,457968829.5470734,301438363.6132556,21220268.41680922,405324283.7329734,93341828.8595469,88546540.77174863,35058096.74922607,43286171.64684591,26307000.48221511,326045294.0170665,119688037.1528758,34440365.61705982,283883165.1383032,85794024.76014268,19811633.94059691,129132273.364361,89328358.77278492,15515220.63871798,197961294.566612,189114774.1807377,188570834.6374736,194962628.9574295,170027336.9334415,170466501.820843,178529870.212332,169421645.0671815,197130722.867681,189455410.5524216,196740510.0429658,215145909.0992137,188636736.0659699]
["Com_71_neg","2-Deoxyribose 5-phosphate","--","C5 H11 O7 P",214.02363,1.6,213.01654,"--","--","HMDB0001031","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Pentose phosphates",1448391623.329079,1586271695.793308,285758697.5842164,387434897.7504154,1648049951.351256,29975222.23561829,1640649000.840201,2380494882.004664,908601311.8990756,558941554.9283849,45617669.46136069,61306045.81271741,1620646733.087653,2514536740.050414,2823664946.650738,1038443831.29578,173685848.460586,1137467605.603582,1151301927.460577,34233841.28026417,59692042.2335639,30172200.09208302,70527855.4635203,64057562.05048407,22466909.97172757,147538504.3582603,634313187.72955,32610419.43778037,29257632.00079241,34844538.92652869,44274451.95719648,44641280.51697454,1160209153.072274,1127728728.728687,70438887.21578783,1369103156.626805,44187754.13196276,800952940.0940677,1736112161.410685,23208160.76517543,30932725.53022972,297010928.0708452,1039690482.09876,239847388.4157998,819029500.7436785,2579180180.171873,544265215.4985373,1700064795.096762,1896477778.558352,1969913718.479696,1344548004.300193,1705309794.932653,981509430.4030002,2456414393.264985,3433419646.370318,1161408518.46361,2088307321.08344,2702750949.953529,420856367.250509,507360722.5100379,435959684.5915135,444242839.0540495,337879767.946677,445256977.2818341,414946062.8980673,319814421.3657924,347897862.9136939,85395839.68455017,390061595.9336427,346636475.4415436,382155462.9218257]
["Com_86_neg","D-Sedoheptulose 7-phosphate","Sedoheptulose 7-phosphate; D-Sedoheptulose 7-phosphate; D-altro-Heptulose 7-phosphate; altro-Heptulose 7-phosphate","C7 H15 O10 P",290.0395,1.6,289.03223,"cpd:C05382","map00030  Pentose phosphate pathway;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids","HMDB0001068","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",270296553.6503227,225325304.1118742,13827831.54016543,27674469.96396093,318255303.074424,2404057.509655241,238596959.7531227,505515008.8143243,89061854.6243607,34757195.56064522,3373888.221703978,7995859.870941679,261338399.1550729,264895897.9214675,335565021.0636588,79327781.03096302,15305770.4179106,93217710.07681233,161553591.7101482,4656030.325184762,5813890.952592887,4696450.505417628,11951357.87562039,4844007.620394137,5493500.865107711,11743325.69663417,61139650.4487326,4470551.016583186,3940781.783086414,7754081.867190346,5190654.55761795,9092092.660305295,104772098.9384917,91436781.82594451,5486545.443227046,122664719.9423454,5600135.307101511,69167714.76745525,181223066.5902546,5614482.500098892,6876490.341545048,32335301.16337707,167191198.0398173,43262456.34922826,177465415.965679,366361211.5279544,225476156.9936359,325307897.3835835,258410142.507806,186389255.9621901,141702871.9193096,195858412.093358,120021219.5388643,391713026.4621352,369922220.9243931,159121166.2379685,225354432.6079228,317659184.3929077,152252559.036136,144041330.7041269,157785755.1342617,149376235.7029369,152606319.0437548,201027768.7933879,107483585.7866932,138511096.5228247,132711136.1487649,127216481.7560141,195601011.7800749,108909102.1480782,124314701.33157]
["Com_99_neg","3-Phosphoglyceric acid","--","C3 H7 O7 P",185.99249,2.918,184.98523,"--","--","HMDB0000807","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",3394777.607449073,1137913.356039108,1603508.471641856,1292774.959118781,1286761.103961393,2807246.649228212,38721497.18605162,6619292.785115349,3512314.394977662,1732283.210190082,1062802.07351725,1000746.031445947,789579656.0355844,1007489232.89748,1163495022.360758,1796063.726467985,964092.6152659276,1293376.970035666,4341729.309932048,996800.1612002188,1053900.923240849,1113569.818742048,2674925.693236978,1823370.686331947,1941445.284434298,1171557.805324875,1128315.150114249,1070584.729980185,954594.165198524,998792.366581176,930560.8701761456,1051910.616885996,840075.8726323675,3769934.806118065,2863118.199871477,3138465.318223884,1339242.518533302,1294111.5645565,1309178.000832413,1195862.538973066,863789.6751657646,2233111.216269357,1393179.176165518,10496075.07057825,1229184.702795501,6592226.806775236,9780032.836526178,7265332.650966,63573825.49456795,8260084.909106354,23544289.39176968,161310160.0826126,86699201.78509034,203733646.7591316,68051127.67784056,1487199.854785117,1453898.213690463,12370077.19480743,771297.586021311,1100085.965632912,1014084.712029704,1144493.629407541,978533.0377181288,1372848.603750811,1033512.10953651,1318134.371088031,865817.6481322199,1693080.991132306,1371270.54824926,853813.5606213409,977379.7423377212]
["Com_116_neg","D-α-Hydroxyglutaric acid","--","C5 H8 O5",148.03671,2.115,147.0294,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Short-chain hydroxy acids and derivatives","Short-chain hydroxy acids and derivatives",66473011.59664557,369879246.6280808,180630883.7730047,349055277.3065146,89757072.62926188,221661394.5179207,223698022.9832254,48860502.53650309,202136490.4024424,284497273.7185593,652513570.5072054,1233639764.572643,27329635.01958635,23695872.32352567,33940191.21685533,77570323.23973686,541304913.8269603,492924988.9514294,595710565.3463316,225448599.2489746,107095195.0181187,286674378.9435164,50343665.88614459,298270520.3468689,108330450.5418751,1501709136.223469,40337468.98952583,77978459.46684782,234685900.4970483,226391857.7012855,291829103.7725465,131399775.3532977,61679883.59877303,27400633.64550009,103823966.1627849,28668900.97756329,198292961.8484625,31822807.81724555,31443058.42451073,143849109.672068,773428475.4514027,250351088.759271,47041173.97352275,1327248200.881537,148453585.969569,101774887.5202608,91118449.14967784,45813050.05327459,34906802.15948961,572299808.279259,82802945.48103634,44661593.41523933,503295107.1995356,25025179.96452519,18091532.85521095,194481546.3976082,179644678.9707169,31331673.22198293,117463347.742389,110780403.894265,119939865.5008169,165364887.3639439,144163597.0534349,124534935.9923092,251892646.190298,167965889.8461935,155735278.0606899,165638709.8640443,136480811.2544871,141010215.1535309,163749501.9778427]
["Com_128_neg","3-Hydroxybutyric acid","--","C4 H8 O3",104.04696,2.872,103.03968,"--","--","HMDB0000011","--","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",397875776.1065214,466552417.5573468,251402314.107556,247135818.2674764,252292549.3431152,112331843.1106509,214200429.279912,188200103.2210524,413414513.4048531,160918183.0966252,144691872.8946445,160475458.4440156,107394956.998219,155560144.998057,194574971.7785587,264278506.7535337,130289043.6187046,270566311.4070801,301430689.5109572,259311396.4578954,149110743.5602474,135368829.5018498,155384485.5173823,112115048.2280087,161075319.7680306,188578722.3829051,119131675.4827432,119281482.0088833,132583450.3284847,152683404.5516635,323712358.0264581,197427568.4255644,118566772.4615154,131983932.2846537,115501146.0480699,149512522.3540168,57832226.22659309,201676323.4290414,148879104.9468369,72763710.32392503,173530630.3188111,390176955.3125244,232674084.564527,314155976.5179806,306720852.4613761,253007981.7530729,338388643.5396004,300776268.7920341,298352243.3418929,153030830.8137855,301350361.4643,124344763.6917744,131323151.3636074,316560910.0338349,194060427.1115706,207586970.5953541,323757436.4009197,113848875.9913896,510157981.344779,380806177.6550728,565438549.9424826,262837839.8716207,527315112.7378373,687766147.322528,472671796.5443116,469641677.3988012,430560311.9155954,453861389.5287167,429816904.1425716,528180984.5954902,555606529.4443417]
["Com_133_neg","Citric acid","Citrate; Citric acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid","C6 H8 O7",192.02653,2.271,191.01935,"cpd:C00158","map00020  Citrate cycle (TCA cycle);map00250  Alanine, aspartate and glutamate metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0000094","--","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","Tricarboxylic acids and derivatives",190924470.1695345,263031215.7483879,284016230.0449392,155007066.9038133,713727468.8706989,21858769.29524297,292290850.8719122,1685557523.6749,341412636.2521459,56770737.10095535,45382188.80399594,30240062.38340757,160428415.640416,208470478.0989253,254095965.7112463,672666296.1281538,42355962.15320979,169749432.226833,659186734.7662238,121686879.6067731,49468244.62935974,33925022.27997839,512017685.1106837,24870823.47665603,1743291420.006448,21782045.87177236,201020018.0356131,24782881.83959236,19167321.68033506,201278161.5455613,108420900.9330562,102734453.5006674,429818067.5739231,47130123.55131904,38576717.60110725,204418902.389696,30893340.87987769,110544692.3801193,99775254.38708536,21613058.53880877,9441312.925358305,94286089.62998444,52674829.86822347,130986814.3864229,469493998.4880693,1062470326.861444,404038329.6809468,548640687.6647797,147870641.8767295,163887682.6342348,241817911.8842898,895887857.5145662,249572904.4810361,96162734.86867008,39325292.25690561,154563000.5372065,629333438.4020771,226722026.9839154,86742125.6522352,95225326.8014114,108221448.3842892,121610040.7323795,131996423.2275742,127117545.1037295,130151890.9022011,136142061.2132243,134331906.9914404,119613081.6660376,137949581.7451854,135210198.1976306,125143952.3931943]
["Com_171_neg","4-Oxoproline","4-Oxoproline; 4-Oxo-L-proline","C5 H7 N O3",129.04207,2.116,128.0349,"cpd:C01877","map00330  Arginine and proline metabolism","HMDB0304793","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",518864463.2115148,537114693.3172915,642108373.184846,489316245.073938,623943427.3343703,292873653.6150279,327817556.5455674,505949970.3475081,784998229.7798771,516341615.5468003,462921273.6916762,387544330.5582502,981234374.3273696,410948382.546363,1052975568.278515,558798606.6977912,325654356.4542807,470080204.4023361,670054587.8311741,717578721.4769188,584284969.784537,332584052.5589601,1113760945.535751,780061297.8799734,406736519.8377847,281178593.9665776,1000509521.0576,543662010.7294003,704762213.4724771,853633558.7098465,409993910.9289107,701694385.108181,826240603.2642033,688218618.108575,483109770.7211019,769462638.7155392,643723100.8819244,970456093.5532008,671620939.7946268,987573996.5000817,325679745.1657403,618237784.2631773,553613155.6761436,469677664.6023762,698918126.3750206,716574030.5483577,400632442.4586287,565363734.5977236,536780541.2377674,285382816.275887,809420622.5849935,671802962.2797098,779929255.8053019,599600764.853876,241253470.4112424,804588779.5249676,938566837.6319474,289150563.9705455,400100060.327632,535816748.883301,545567760.2196598,335324922.9578031,512231236.1453996,544622559.3313686,478552384.7726357,487190254.0610322,359668585.3234967,578117283.3167521,504290131.895375,499628422.016186,378560516.2494035]
["Com_184_neg","Glutaric acid","Glutarate; Glutaric acid; Pentanedioic acid; 1,3-Propanedicarboxylic acid","C5 H8 O4",132.04171,4.703,131.03448,"cpd:C00489","map00071  Fatty acid degradation;map00310  Lysine degradation","HMDB0000661","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",11319712.27913062,17638715.97585605,290216531.2572693,201595007.8957161,26093184.49587044,190062955.7598452,23557597.22914273,9491697.67271434,44682343.27777255,121653867.0432028,133791013.7407362,1329837256.750607,16099391.00007705,10003116.9530226,9751014.484919729,10749694.95894984,56243106.98891863,29378806.47005105,43733540.31179059,19874555.02010034,65404490.46850518,34314690.29792941,23671356.66503984,20889786.08862314,25483384.57517913,472504524.8147269,28845956.87508972,75127517.7106614,17615054.97358578,20444818.56394421,19868041.56100572,23910861.80368665,136044800.4110079,15162278.44383552,22441609.18103679,26504920.30344248,28791714.72675931,11435084.51118484,32784156.82117056,17427865.37356618,232052244.7373544,28919453.89335949,19869941.27842599,37019004.48817024,17217954.21653762,9145062.2426767,15120466.63021947,12026419.78994812,11965854.31756708,14853878.02994906,25516157.50707639,9915455.60109978,16078056.52215328,8074098.100254647,6301769.159872424,11360203.92098003,62580523.70510324,7037340.121678546,73061556.3035344,80423859.40927315,83333453.34007575,53023185.77739947,78221199.54891118,53035154.94372143,72637466.99811757,76836173.09110199,46982080.32789523,83035658.46382941,80651641.5377322,54872178.60157605,78990560.20729192]
["Com_249_neg","D-(+)-Tryptophan","--","C11 H12 N2 O2",204.08927,5.182,203.08195,"--","--","HMDB0013609","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",386060534.7043644,451761615.6275911,111425492.9800372,363060585.6210027,385915584.8529815,54037732.9735698,221360584.8243436,301393211.4616757,281353672.3103409,196128557.9615797,110760461.7534271,83157600.76267655,427576965.5174643,844346489.5458491,728170485.1280565,259609021.2643345,65990360.20487986,488311085.2609842,323375749.9174528,201995789.6092169,200028792.1036714,47911279.56990937,621959068.6941614,95896747.17031112,454214057.1619771,97403644.13864984,549640185.2876089,21683078.89127846,74571316.06423739,171463387.5985856,199710263.985724,320704121.314921,774753803.9521391,687115360.128063,52748878.70503897,576063237.6729766,67642360.5608899,730972321.244032,642450555.5882103,15315107.6485825,66053090.08445796,335483666.7430204,485303043.1310775,132898025.5116086,319696684.6551715,431851398.5587065,266776329.2537258,400978378.9447605,490567324.8680506,280576239.1072562,520893201.8380066,608000664.9728384,398808069.246634,559407107.1844383,395990180.8830829,667391887.3201703,380052720.3562069,93829729.45098136,289914833.590355,307505485.7784305,300076924.4865474,298358786.2176558,286062863.1316537,297400898.835954,267241377.9886276,294110733.3044247,266038882.4798552,279018580.492417,251796061.2678756,276406624.9148925,288395818.5953963]
["Com_251_neg","δ-Gluconic acid δ-lactone","--","C6 H10 O6",178.04719,1.451,177.03998,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Gluconolactones",162071638.3020616,148129800.9893009,180921946.1543835,84636495.4887012,49223933.67391213,89335842.82313514,85052454.44565639,86783084.18274835,70435967.20998135,85002609.50417657,226688019.9425386,808680111.7228519,47496830.57383233,33901963.55347101,17413367.28072916,57838421.54967646,295145066.0017065,221292054.1001753,237570970.9782223,86834380.78242001,180239438.6308037,467258795.478519,47302714.62250869,321503134.2004007,244057928.2412833,723983927.4544955,101524062.5980362,385886013.366819,333237674.6876599,288064232.7100164,223501872.4438093,166235840.4000688,88613728.30693437,24031372.0918904,202330830.8951387,69161814.0667398,249856557.4685189,44608189.07044178,91602541.34712656,562389851.7778872,551316673.9213259,238602794.330816,64706555.60056289,132783580.1004955,90011425.54181877,93186326.44191477,172915237.0225305,81956562.17526308,70270385.64476514,168918842.5901695,54803420.40031631,32074163.59623919,135403023.2259833,17481576.76130688,39183639.34779759,103245033.843816,82243764.60199541,107318143.9684218,94720406.8989177,84949401.84847236,80951187.16067365,85054050.27996553,76901881.90798135,89143648.42590868,81030496.22465828,84978872.1605627,84894265.09947188,79034076.07853748,73066406.5353237,76523487.47831422,81908952.23878504]
["Com_1085_neg","Prostaglandin E2","Prostaglandin E2; (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate; Dinoprostone; PGE2","C20 H32 O5",352.22437,6.641,351.21713,"cpd:C00584","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04024  cAMP signaling pathway;map04080  Neuroactive ligand-receptor interaction;map04726  Serotonergic synapse;map04750  Inflammatory mediator regulation of TRP channels;map04921  Oxytocin signaling pathway;map04923  Regulation of lipolysis in adipocytes;map04924  Renin secretion;map04976  Bile secretion;map05140  Leishmaniasis;map05143  African trypanosomiasis;map05146  Amoebiasis;map05165  Human papillomavirus infection;map05200  Pathways in cancer;map05323  Rheumatoid arthritis","HMDB0001220","LMFA03010003","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",75987866.17873682,20613210.06070671,12148478.03437942,26117336.07357662,16060194.48137813,13081100.17974652,29847909.3878024,70839034.69308081,16959718.99092206,25793815.22921731,28382029.10384332,38731675.22904595,135128993.5972402,56951107.56843026,74197139.47082761,8536243.608981015,15150410.41044112,13395839.86994962,13556359.39816107,18571242.92425251,12225020.54756678,11338422.41626202,39461151.56528477,14105875.21220698,16270614.58979577,43079215.28503641,21036945.36829557,8074553.409918397,13556559.04288829,12204243.36763627,15225232.61576768,13455310.74172537,40640734.59701392,46996202.63130163,11994467.04897517,42508085.52849174,11362338.37381968,13506100.81254418,21156613.16621437,27106280.17180844,28750357.69742736,19890684.19318017,56908428.90123569,18515530.64198703,12784194.80870782,28060129.54080966,49501492.0585243,49607333.56882433,20065613.51937256,24387862.77313209,17748471.63900337,31636492.7198694,44350451.49187359,104595584.8826296,8611188.3194166,55299729.6128218,29476553.1433957,8966157.325127667,18601073.1537256,18878415.76215288,18837639.73294272,16894175.53009917,16634154.48866851,23178293.43602425,14742104.8714518,20163099.65046502,14979472.27155856,14433009.58311616,11455961.85807426,17698211.24775425,26998686.96949902]
["Com_1192_neg","(±)12(13)-DiHOME","--","C18 H34 O4",314.24512,8.759,313.23788,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match",{"$nulls":4},1047912.524140731,1227760.735981519,16044498.77402303,9614500.669044357,5226715.079371545,32123211.65470959,5691097.757705031,727137.8537120613,9566161.174887998,936127.1300556784,20355642.62235201,86579486.95463566,1846786.712368605,715598.7745438028,724109.5106753684,1015557.268720231,14116478.22952471,6478524.962726871,13139730.29201277,822043.4705342086,425890.1711032927,754994.2882155206,550912.6594884663,604805.5811087328,1181236.180913174,96870756.64140736,1421633.853597138,714378.315283855,443836.8479903853,485748.7408453161,645553.0851220649,497761.5307968286,858387.2769960104,962460.146447174,381394.3986577159,556773.9524162714,254467.1100502693,647900.1531371117,542736.0694948909,389401.2716851344,62321426.76039736,21004447.33465758,984476.7399571664,19752365.5522791,2057848.177058026,680027.1935835485,1406521.348337982,725229.6634360817,474435.7408208887,7115810.643382289,1053193.209333146,566252.1755406263,2309700.23962899,323450.6988871957,303273.4348011466,771358.8500342899,1293481.981561335,198848.9086334288,5287963.51671696,4576035.974462926,5413020.488854137,5891008.941119584,5884303.763914044,5253955.106138153,4683222.817013658,4951788.9359851,4823526.854801495,4873993.908866617,3442911.216917666,4849585.429021164,3876902.315526597]
["Com_1461_neg","Lipoxin B4","Lipoxin B4; LXB4; 5S,14R,15S-Trihydroxy-6E,8Z,10E,12E-eicosatetraenoic acid; (6E,8Z,10E,12E)-(5S,14R,15S)-Trihydroxyicosa-6,8,10,12-tetraenoic acid","C20 H32 O5",352.2243,6.9,351.21713,"cpd:C06315","map00590  Arachidonic acid metabolism","HMDB0005082","LMFA03040002","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Lipoxins [FA0304]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Lipoxins",18270820.0009362,10349395.63834651,3774131.666860336,7307709.39043513,4936585.051927464,2625515.069418855,7380847.862927472,14476564.69801024,4988509.555620754,4934054.651803567,2925753.845456837,8601189.201642552,86667644.07963915,20806753.64647471,14696810.20473377,2693858.464245165,2386229.215034829,3917131.086560057,2619493.085741137,3396708.386144367,3577704.594543652,2182869.169717866,8782958.96578365,5815744.384125206,3885878.379112504,10644973.64567576,23906353.12351982,3501096.168626707,3319837.122306143,2792598.037184224,6988196.6495959,4788572.019844322,9493448.459529402,16765139.22918274,3175751.39200789,10284915.79143256,2600066.296908914,3863923.767185148,4662784.061403854,8674869.451032115,5851078.547043504,7429748.383065254,21583601.17497095,5112877.897359245,5211865.889665774,7564077.090680866,11375297.46538475,11589671.61382816,5074551.971738131,4606847.054246726,3384600.342828073,12340192.9770397,16510813.14268697,31422589.32450607,2301451.629016395,16776283.12802623,7733549.149990251,2117646.714103704,3774662.15892686,3232989.546078089,3600278.198443587,5811651.807448912,3629267.684145705,3171335.013475706,3090096.569103801,4548837.140340133,3485222.226169486,4951821.724086284,2719749.412013576,3777635.01977616,4311834.980935145]
["Com_1739_neg","4-(hydroxymethyl)benzoic acid","--","C8 H8 O3",152.04683,5.421,151.03957,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match",{"$nulls":4},735749.8899458499,5030235.41948159,7350401.152158922,5325930.841318246,2421070.219649698,14050400.49629667,2050335.616807578,386311.9286290064,5013129.355027824,25225384.39192508,88385229.46010582,33193606.21634951,375291.3456284597,306683.4563856297,338203.5165838041,2376618.84803923,14455284.36694916,8194056.236899605,8652049.021088025,3525395.221597611,11456131.58053556,3812001.667903456,477585.6806889405,6811373.094899224,497055.4909780516,29091219.91219762,420321.0007476161,3757786.925177089,6158728.532113158,6981143.479944875,4686940.244588375,1683527.355719399,554913.9533364685,534317.3209223952,9779151.92432814,954884.115761332,9103743.524186227,1627250.862332324,1075878.007349791,10727525.38954697,8250884.747029855,6949573.709021666,1354521.951500406,5486384.314679944,3572169.821419141,761106.16855126,3724497.618084285,692528.1641602617,2809528.524329228,2815937.567181654,2700339.90564196,1013758.163609901,1307335.000221288,377885.947230496,1963693.369874552,923259.5447322378,2155689.317199351,549391.129909639,2915398.1612812,2645062.122335675,2594180.543926573,3349475.049223425,3010669.739559563,2313821.296607178,2727818.962361347,2661191.627118325,2620020.117664481,2791059.704202122,2565539.726147676,2346557.589955408,2818797.599859618]
["Com_234_neg","D-(-)-Glutamine","--","C5 H10 N2 O3",146.06862,1.373,145.06126,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","D-alpha-amino acids",411349075.6162851,427280966.7573957,240680270.2335306,162959051.4813727,276022487.652089,16704030.82787939,141146559.4945604,509544209.9395858,224933807.8926957,174942352.7136048,27470885.08518718,20688357.17853234,387880978.5336225,540492395.9884444,448118201.8561404,314977364.2013599,73059929.66787839,188747298.5327244,123417058.7246722,31108914.93157484,18202425.25723199,9275453.612697115,513116639.1954674,38550473.66320626,636051306.4030005,55246335.95842086,450245561.3979421,9039796.084079638,22394275.82878173,71455967.19487868,33396442.87001466,206524173.1417449,280194077.5541348,362287610.7955754,14797065.9706554,324103350.6826202,12875624.93391592,357570083.2971966,409261752.9819949,10050074.58472408,12351484.03333626,153972605.1999763,378272367.2059949,82383577.26934372,346181796.6782442,324466099.4188831,284652739.6493587,548128744.7760706,457369068.7308838,260589160.0284774,383737615.1708615,259861070.2275234,223876942.9324409,424921882.6320385,396337981.052309,376165172.7904842,254420629.5867663,337454194.6550771,247635301.520084,272805136.9456442,291789009.2306859,292938537.9879797,327557096.1320067,316416533.6844736,307907189.9816399,341197018.1517084,305046975.8215163,310376835.6408241,288613218.0183843,311210085.0812568,291006150.5899383]
["Com_4_neg","Xanthine","Xanthine","C5 H4 N4 O2",152.03282,2.235,151.02539,"cpd:C00385","map00230  Purine metabolism;map00232  Caffeine metabolism;map01100  Metabolic pathways","HMDB0000292","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",8852930614.488565,4703568336.783993,4158801468.821488,7756181365.704596,8040836669.076893,3461632819.285841,8716243469.23591,5819436524.045075,9769175056.908855,5104740241.300348,4524339461.262068,3978777503.380333,7385253837.521794,6387304240.826984,5959135810.427916,7253904192.790308,3729240252.113833,5875452101.095913,7411693486.720383,3958191889.631469,7525995754.54604,1510450191.385826,2395205422.722426,3912237251.227314,2325814908.400092,5643370598.947072,1070354597.344325,976839779.6528488,3373423080.307517,4511382793.971878,4844601975.535736,7676462637.692729,9708830697.157137,4255576834.329785,3066575265.556817,7056094682.27187,4668639189.533257,4970277433.213697,7591673965.780408,1001523955.945093,5183750495.941006,9177332884.555628,9552088335.87179,7480841793.1669,9381124394.964369,7968105032.16338,8599293784.761396,10666044624.97217,7041072925.588709,6240342329.494101,8133104018.379677,9271418918.87661,9446064801.752018,12420977892.97972,6375868338.282504,11770915364.39337,9850763064.314098,1829568644.578347,7055042917.34069,6828062821.273058,6565590875.393991,6413921336.974336,5909466210.273631,6403300674.2501,5609045145.343293,5812795253.842741,5911009360.114738,6137938880.738632,6045305557.076805,6420913790.10882,6812640524.866079]
["Com_11_neg","Uric acid","Urate; Uric acid","C5 H4 N4 O3",168.02774,1.989,167.02055,"cpd:C00366","map00230  Purine metabolism;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000289","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",910330093.8296304,2850797571.669754,3610891142.1532,2245590105.08496,5709943241.105152,403903851.3275744,1709539101.744235,1101399985.796729,3990909961.224349,1962162248.218621,1258208048.585249,486126860.1061717,1662946085.124827,6871864482.148582,5909211175.074591,4823394115.570248,848247553.6688282,6366583905.489186,1589383485.179516,1313924257.566491,2006332957.77373,472297863.7851333,8289457568.11176,1641524368.830784,2926188783.5223,1032568019.367768,6996214347.313237,416043366.5690945,1682711528.698444,1941318119.887078,1056225544.195451,1683684202.20201,4669525754.865957,6248236235.102779,511218397.770893,7128233437.225273,859149227.3376033,9867627325.473368,5924331064.438041,474640624.1796725,141570504.7501162,4480956933.771248,1631799106.422158,1059644193.089779,4588297569.270938,3663751320.193951,1469481524.658939,4120355157.112527,3413738569.27332,2132036027.925068,5219549480.848785,4328691831.127746,1484140790.026361,3605531988.585888,1319165457.021852,1993381817.248482,2393181390.640926,239266685.2370417,2272400455.99421,1476410300.401359,2087352748.602482,1817411916.220292,1828819670.428752,1561104332.762977,1268454995.730107,1393971613.189108,1323360788.211474,1332993688.344144,1564917972.267617,1692820299.703885,1778355805.716513]
["Com_37_neg","Pantothenic acid","Pantothenate; Pantothenic acid; (R)-Pantothenate","C9 H17 N O5",219.11005,5.072,218.10266,"cpd:C00864","map00410  beta-Alanine metabolism;map00770  Pantothenate and CoA biosynthesis;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0000210","--","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Secondary alcohols",845479409.9728663,920744553.926028,780767198.2506169,963786207.724158,1403432782.539113,404773445.9091739,792141137.6678141,755939271.9693279,1095290374.327759,505279773.2662702,746153570.667322,962867410.199102,419515007.5085364,1036354226.961342,1117452591.676842,801581891.9814498,656092255.616846,982214846.3849504,864091883.1476883,686714187.189145,1032516337.052232,567085422.871669,436658846.4555563,637742098.9467373,216445021.3092257,1070731504.815624,283205914.5692278,568595059.968289,537379394.3611583,920728065.9967004,483365680.5852885,779561291.7395645,998280745.5298356,1088362338.855553,656681486.1496166,1123044343.974402,712535387.54279,1284276456.687389,1589520965.964148,327393542.194769,1160704669.932083,929905195.2750028,849319026.0180734,709013691.2880576,881467408.1417935,1436519120.044082,1166828018.746469,947520857.4366132,1498034872.94041,841809397.851085,1291728835.18134,1177388516.216945,847165541.62807,1366701599.415621,599419559.8416946,1210451459.130394,1358499705.263578,438978247.1889307,1313106996.32217,1256295500.351707,1354675212.666399,1334197875.350033,1357329525.278023,1288258755.295382,1304013701.602875,1366675201.939135,1218537055.526357,1287183211.681397,1331081523.407329,1314771233.614965,1336632215.970771]
["Com_9_neg","Glycerol 3-phosphate","--","C3 H9 O6 P",172.01301,1.603,171.00577,"--","--","HMDB0000126","--","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphates","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphates","Glycerophosphates",2328194981.003725,1299472350.586587,53648376.22442476,186930344.0125937,531852430.8895322,10461960.03647114,345731091.1554065,608951852.3395951,365764325.1554118,695894666.1463941,12779421.89843584,43918946.50934426,1173369866.414408,694022342.7602946,690344724.7602619,904541521.4895384,391780156.9535903,1100998002.046862,790067620.5230218,100118525.5472489,195475243.7550243,29721441.73680532,911376863.266422,71350836.19193149,150305128.4435914,228425247.7497956,1325058010.967941,34047979.93117829,18686346.48815263,225643285.7387733,217758861.145491,877147045.8096359,834162346.4287813,1020410145.652892,141739774.4695471,1507929702.392075,171877425.1441895,691205430.6351464,896868017.8554614,28845953.65329661,36324234.33976828,204925475.120283,411319855.8240246,633451085.1857175,523174148.9103123,2369505467.175372,627070480.1939751,456028695.6219424,801422796.051641,438437579.8015629,749577109.886521,1180257430.259948,1626251744.255773,2675656829.264798,1648435927.282959,572220919.2994194,1142119227.224516,2829934065.539505,1166796940.70716,1244230441.134365,1577030548.291881,1362827367.101332,1056197306.408385,1478710534.997482,1255591025.118822,1150446542.663808,1211322588.081573,1203273594.026575,1282987664.017625,998555676.4580696,1093161201.312243]
["Com_55_neg","Taurine","Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid","C2 H7 N O3 S",125.01416,1.49,124.00693,"cpd:C00245","map00120  Primary bile acid biosynthesis;map00430  Taurine and hypotaurine metabolism;map00920  Sulfur metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04080  Neuroactive ligand-receptor interaction","HMDB0000251","--","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","Organosulfonic acids",1262217383.752918,2141992924.428943,1133977356.049849,1444512738.630669,1635622403.688238,636546046.440294,1575690361.316215,1546084130.755308,1932674099.441265,1273587640.97641,737701117.3373591,408535936.095164,1083837087.160105,1435905238.997205,1417517596.298367,1721424891.725539,533821832.2100765,1271829445.447386,1242080099.478367,601623914.4403957,751570627.1480346,126645796.2504629,985571779.9886844,468382731.8829698,1077686187.416771,462224926.5930379,755038005.300587,83407466.32319999,281345098.5453337,565998202.8953383,451747467.6126362,1264269721.933787,994081316.9265572,1282678982.335672,807488477.6180547,1381031526.865744,204739400.9973364,1534928619.112293,1998333571.090053,53173267.76124392,308893206.0991977,1588613542.611086,1782694914.210355,1149961127.691077,1547559557.366061,1697661836.670251,4362065961.369584,1556960433.260404,1703765801.250473,2140555899.862922,1666244149.008042,1362115355.735519,1337155438.60669,1493178989.023146,2287577612.986056,1835809896.496746,1806556109.857494,1976409489.823278,721758118.417081,690756069.5758401,738930533.1716896,798921581.1908716,701966872.251769,705679620.2248712,714826428.5467864,808641130.5702785,665853329.0431511,705468230.8407236,703749372.176576,650541108.960784,767850728.5598437]
["Com_77_neg","Xanthosine","Xanthosine","C10 H12 N4 O6",284.07499,4.714,283.06763,"cpd:C01762","map00230  Purine metabolism;map00232  Caffeine metabolism;map01100  Metabolic pathways","HMDB0000299","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","-","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",104049411.7144388,80980850.53856148,48653627.75682715,103806525.584791,116619318.1396704,22654442.02622093,102677371.0391869,100000129.4090352,93457992.43974286,18645343.21006037,23393548.17712562,30652595.85503317,103820857.9324519,204403945.245333,160682381.8895136,106782390.9357199,17640315.97857647,120917644.8840783,120741483.9346976,27613402.09768408,26890368.87573695,6125261.867500564,81430120.0762324,26230009.84103089,26364027.07411369,34150960.88055123,73635003.15165736,3402117.452495486,5139148.975478729,29981907.48877643,29235372.09103388,63599497.20119625,205614739.8004537,139792688.2415268,22550465.4253482,124042262.3620787,18810387.427897,126063471.5545733,139120902.6604908,2610064.266174898,14069723.11672086,50499533.73491476,128010186.003739,24017445.01633701,112920205.53013,137817640.9831325,123995321.5531242,140089518.2899185,132852032.2732972,80187832.48029909,130253058.9444076,213059402.987146,99686764.9669744,230997739.7849084,92085827.51301636,139646125.7634614,160958986.7288095,25459965.75605118,456781812.378745,535393610.2550135,473057035.4735727,485551175.6019125,465241262.2343836,480699217.1784115,436780860.5212989,440599844.8681418,429559051.8138145,489718909.6026366,379072296.4619198,455468882.8940176,462096973.2700211]
["Com_125_neg","L-Aspartic acid","L-Aspartate; L-Aspartic acid; 2-Aminosuccinic acid; L-Asp","C4 H7 N O4",133.03694,1.394,132.02979,"cpd:C00049","map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00260  Glycine, serine and threonine metabolism;map00270  Cysteine and methionine metabolism;map00340  Histidine metabolism;map00410  beta-Alanine metabolism;map00760  Nicotinate and nicotinamide metabolism;map00770  Pantothenate and CoA biosynthesis;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways","HMDB0000191","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",966736731.046204,1250106697.772924,634750597.8156933,568270904.8850548,794564756.7483889,119254843.1328595,1123177107.977378,709513238.3895764,598502467.0328579,746603853.0933208,220867489.6612056,89143735.44254762,1177459090.245484,1537409495.051401,1388603522.369266,1234530377.953003,480434119.7866923,592242099.6387106,1043527677.05177,855265992.1905569,305820011.5784115,163108922.9781839,1514287333.878359,452660688.9978867,1262976861.24256,50832668.82797963,1180792275.676724,8091937.798558313,239925567.7591274,595196597.2541889,423994524.3669593,907254056.9678364,783897534.3264705,1267292659.623461,212562243.2340141,1004210218.555946,139363998.7781548,1082174069.194488,1120864909.168173,195045772.8538116,141791955.3016649,986191267.6762772,1214085911.373056,573636048.3329501,699592691.7047253,857626674.0655156,59660145.36719156,778524066.2972851,951628742.4210804,1147244023.419778,757533427.8519317,777365545.8560683,961006260.3512917,882397338.3523083,1191980616.910004,772513473.0425849,1140747619.995649,1014184468.51868,524224796.129,471951837.208474,576120902.6478676,595264801.4457754,579122596.0890762,672441742.7108614,567058929.5169853,739644675.7318456,604934036.2162057,606472663.8794404,549224621.0027013,617897097.3578686,602510184.2244936]
["Com_201_neg","Uridine","Uridine","C9 H12 N2 O6",244.0688,2.348,243.06137,"cpd:C00299","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000296","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",123075448.1962984,136223563.3581584,165632957.7186782,230968619.4485261,343727062.0083461,205482452.0110671,201679332.0632825,254726424.8396001,173657085.5013121,110483608.2945958,148407565.4933872,64519023.02527889,394139401.0402427,231915526.945028,293210962.4004617,214304216.8944541,62826613.0515084,118304079.4823831,162848213.6739286,246637797.4152831,89173177.89656675,103922895.730751,318140894.4956157,220574288.4745198,147177001.1473515,57622947.48326665,298619885.6037157,53919264.52831173,105268433.3726748,193623793.7354151,264816811.6249124,217504677.2220207,248878535.6809196,170065637.3117446,315808693.6818253,235878577.8890612,112575711.3602905,192391742.5321062,167197981.3397511,40054186.08824794,27611138.40433412,82323730.48767187,227850344.6963516,96959471.6371944,223546442.3281445,352265937.241033,243561825.3642398,255267709.4363814,193922968.2295312,93452850.92924929,145516900.5297044,293776084.8450922,291755611.2954134,366278050.8449385,67523748.12004827,255475665.5880076,164332869.5197532,125150113.3494871,190580915.582165,220864761.7879366,208737810.6671573,265967084.2117692,199464599.9392083,186809440.1908961,219913395.8853457,244601526.4864868,228740437.0417192,248297381.0748851,206804462.6695993,227207044.9192053,224835754.3388289]
["Com_191_neg","D-Glucosamine 6-phosphate","D-Glucosamine 6-phosphate; D-Glucosamine phosphate","C6 H14 N O8 P",259.04511,1.555,258.0379,"cpd:C00352","map00250  Alanine, aspartate and glutamate metabolism;map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways;map04931  Insulin resistance","HMDB0001254","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",99015739.95588145,833888351.0562826,27000712.1118912,45641150.88913442,71611599.53952232,6621605.404997073,96242325.6601856,110816217.7195901,88586803.0681117,275483343.0549528,16237705.03592842,41866553.37227144,534868186.8155438,356869747.7798511,303158489.8557993,124625751.5771143,176168607.0693854,538442771.9322323,271718099.5035374,123931441.055835,87947822.60128492,27770219.17558677,982470449.55008,36451844.8370374,171846605.1142727,152600106.8575931,1034157445.818947,20034359.16215205,16826471.30496839,165134954.9559317,32654013.40868524,629728937.3101254,741054239.8593856,324774767.4142883,29309859.25020734,1292403731.123398,19555566.51102599,294668010.761268,255649970.8265828,12224610.81777017,18550787.10112436,108110128.8423648,104444814.6590269,46199056.03522463,106855704.1268335,427758492.2031568,121625524.767854,50678256.83955715,251096157.4060033,331834391.1611089,174366611.3232303,392215550.4463813,404248665.831978,922310806.3869312,694864828.8601533,190369577.3756282,270208115.6987172,1362204725.62975,114244040.468745,102205080.2546213,118756961.3837099,129052017.7020676,125016637.3545426,117684239.5035404,129403122.5727796,99834497.4639508,110505566.1962796,115662327.4390281,124281934.0091239,118546579.5783448,119251077.5864019]
["Com_253_neg","Docosahexaenoic acid","(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid; 4,7,10,13,16,19-Docosahexaenoic acid; Docosahexaenoic acid; Docosahexaenoate","C22 H32 O2",328.23943,10.047,327.23212,"cpd:C06429","map01040  Biosynthesis of unsaturated fatty acids","HMDB0002183","LMFA01031176","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Unsaturated fatty acids [FA0103]","Full match","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",578323086.0113033,409392469.3190935,408541640.0808033,216323954.7142147,425841381.0034779,69928972.4408886,321456605.4236256,311573649.0305071,370854261.4934059,211023642.6383977,242377655.5946975,192103357.1138896,148493169.5738556,398596991.9054155,373613811.5643681,241255876.3403806,211603961.264008,433209072.5540272,330541038.5429073,409164937.7864329,354278315.36506,137001077.9698921,569656279.4961798,246864746.5066886,514478950.5603161,162480966.0324453,597584439.9646229,72147690.45630251,199015154.2831252,343448293.196899,283642865.5904427,424202556.1521778,161053466.877512,170566631.6781363,130127358.0298169,384107210.0912157,61561245.69192201,281412665.2492403,420428285.390112,55012295.4139467,103326075.3443648,250196379.5522638,325382804.4029887,292185199.5917975,362137215.1518877,381949848.0560672,403107454.813233,353751351.5719566,514453354.3298463,590342218.3926587,471149654.2697818,232040196.3826455,318995171.0858146,446831453.0507568,515616869.9425861,652200403.7890216,516589854.411902,416788739.6100028,406567000.193556,417322663.4845034,363237289.0058277,409138166.2148936,334253213.0095302,345642169.9724309,339879140.7004907,333070763.9575639,383656517.6637879,326297862.5969064,279758170.5905831,338673286.9027619,347360368.1503881]
["Com_65_neg","Cholic acid","Cholic acid; Cholate; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid","C24 H40 O5",408.2867,7.414,407.27921,"cpd:C00695","map00120  Primary bile acid biosynthesis;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000619","LMST04010001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Bile acids and derivatives [ST04]","C24 bile acids, alcohols, and derivatives [ST0401]","Full match","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Trihydroxy bile acids, alcohols and derivatives",225147781.1476074,122411071.1653366,57862972.34720384,137586150.0670038,348050232.3468553,378081710.9687902,216477738.0786306,20663689.01009236,102814769.3085425,876531872.4121362,64901052.18055228,73344125.57564989,13699696.79699853,97077035.98916005,24100283.44085925,1576042087.791755,53830368.48035709,68023766.90346886,38743378.43076526,1670040687.216324,2275348959.253488,2029230041.255767,171906257.0773332,1925828095.860769,812210254.7854574,34096992.82095435,214207105.8449218,1713164860.795083,2705924686.048719,1991327198.086714,1267163337.73408,1550781453.903008,532469836.8230537,527698213.2514305,3003127214.762752,481904383.7609573,2965817188.888739,876829725.5524161,428576312.8274106,2081203079.286815,215890877.4002106,135015563.244506,132887051.0819763,155568281.003769,440545235.7987415,85302708.55376475,321832485.9596057,230215663.5153533,82641490.01979564,352567471.7766978,439944076.2415035,228354836.5894817,190093741.7159196,33839199.04638978,31089642.3981206,421315294.9185962,159448127.6261233,27122085.50710447,725710676.253866,652474781.3245335,814831472.2752249,754099444.0066237,707637387.7822657,626963142.6175708,595689840.0385545,619709687.4439453,510750815.3278254,571127382.7501507,479422010.9504479,697390756.8544194,532845593.9686256]
["Com_151_neg","Azelaic acid","Azelaic acid; Nonanedioic acid; 1,7-Heptanedicarboxylic acid","C9 H16 O4",188.10431,5.856,187.09708,"cpd:C08261","--","HMDB0000784","LMFA01170054","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",76875339.52969624,88267862.32502992,467223771.0160537,297990288.026934,136627521.2786851,755094086.3140104,400459245.358317,121041394.3156112,198679411.4426955,414877840.1434423,691748473.0452693,1211085922.758611,406057959.3315629,41069707.19318308,123489401.2367517,60824642.57101048,377599272.5811281,199651059.6046721,346103552.7891498,171511541.9955814,111874559.415356,122391278.7690424,100470844.5610681,160058389.8783476,94039907.96548223,1125082612.090677,234452204.4285886,96284999.83176476,173425301.1473714,179764271.2183841,125122269.101693,75248406.63615254,107990165.1758026,202590013.1744643,92767972.74501354,101359501.0394074,78241629.17439741,54992789.19631772,64744021.2965478,221123371.0532893,440865183.5135724,232258514.9339852,311836112.2203056,308598996.3014679,111399603.365857,104265086.7122768,370872093.850577,174652841.4244362,102689940.2163976,108590974.4940016,100026913.7340686,240187225.4132223,281206572.5966167,47407262.68720526,31939763.27553788,102415730.6015369,393450076.2520154,32588390.35035811,124630888.002893,146848150.1000789,133138840.7025317,138618308.7936413,128268389.8860169,107133313.4972524,128318246.3320733,129679240.78355,135495934.7418931,136874642.6228692,127789608.416671,140941175.9937794,147652527.5790748]
["Com_1523_neg","Thromboxane B2","Thromboxane B2; TXB2","C20 H34 O6",370.23474,6.249,369.22751,"cpd:C05963","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04726  Serotonergic synapse;map04976  Bile secretion","HMDB0003252","LMFA03030002","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Thromboxanes [FA0303]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Thromboxanes",70888970.7821303,23190104.52831591,22392339.99668845,24370376.63016987,23285373.08621671,16804923.33469815,21977524.93123651,37211005.00474611,25265500.66230793,19813354.80056909,27725568.07655175,72871764.03430307,72129337.44835924,43535130.76032804,48823261.42141915,11004799.97963956,20541746.7203793,40096909.69447438,22268519.08831842,23599375.10592025,34237501.05012669,20347408.75218489,17651223.16342191,26378056.27476598,17046236.46014,45890313.31756786,29673921.76831366,14481497.50045387,23235147.83822456,28456818.01169513,17245073.38253276,37045139.77059211,31848241.82681448,19577744.16881516,23016527.00008753,43201686.78230246,15489797.17784006,12479442.95062618,42774847.19813768,35260063.10018166,44376519.3322929,31834157.14320264,100897588.9947979,19152673.17800927,33735972.37514497,29262120.14953425,44592172.45123509,56602581.00690485,25596528.42414218,28399600.70405212,16904008.61875853,18526631.8472335,25019658.05660668,63664997.07875882,13700719.11110516,36428909.30195702,30146879.37107365,32015775.34397684,14810703.0116984,19767958.57941536,18077130.09533432,16428114.67408897,14626576.54958732,22509789.34476953,13101292.28437543,14652794.04053633,15625195.9738155,16486185.9978887,11530889.9051473,23185693.45379574,16223785.85121518]
["Com_262_neg","5-Hydroxyindole-3-acetic acid","--","C10 H9 N O3",191.05779,5.537,190.05058,"--","--","HMDB0000763","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indole-3-acetic acid derivatives",12551158.23731322,2084998.221418169,8246062.660642195,3463138.206199662,901081.3615497844,4218843.738370284,1714353.859848804,552261.5871263059,2625032.95148226,41600494.95061477,12108263.70159108,15667567.49289268,351516.8665455339,403572.2238951647,462545.4347878521,3427342.828676353,12364453.83263133,1312296.629230808,3256002.917846014,471832771.6029533,698245215.5966374,813935671.3890374,16476547.17374898,873561799.7014033,179347180.7155224,11435941.26427204,59224601.91494985,892928781.9640125,870567483.6939653,793605878.6111002,784055884.0983182,475072357.8000461,70229755.77110839,37341444.8884017,473877402.6966238,105513287.6393753,328209383.386155,207266225.1787753,12445490.72867408,1038639500.111609,12749575.89639944,2860771.218506792,644416.8091526467,8955945.082996884,1194880.203913448,410008.9825862295,533301.6335901855,10335619.44155654,1743538.288488507,1911374.08297297,8691803.480786685,393729.7793377112,1012615.733602534,184986.5386095473,267461.5589031581,752680.8019870082,2728743.4060956,343763.9823906888,66958574.4895667,74693988.70208265,113003046.9953233,122973030.2496196,115044848.9675163,99227892.66957986,112287857.0648646,118404621.5759156,108888302.9605068,116081386.6845975,123301443.6164446,121931274.8044907,105908503.4556572]
["Com_6_neg","N-(4-chlorophenyl)-N'-cyclohexylthiourea","--","C13 H17 Cl N2 S",268.0801,3.378,267.07285,"--","--","--","--","--","--","--","--","--","--","Full match","No match","No match",{"$nulls":4},850683945.8524143,134636621.95352,218679897.1455297,490520181.3694574,204243017.3677207,179186419.797399,154401338.1161483,1752389756.37444,189097188.3951228,67225349.21905613,89660371.40093176,139260878.9354354,111922260.2029248,80553946.98771937,114331838.0066841,338508653.1989682,139499796.5993211,87793584.4475078,187837574.8752148,140708734.8854103,106258252.885356,107986381.1470144,127904144.5354602,120100386.3796184,143038974.8165398,147504777.6329125,118070480.7664268,41836988.3760891,100505030.8133363,136623643.1352267,230742782.946158,173646899.9274149,243662802.5385984,58201889.32935002,210859151.1529969,61949199.94009231,110550945.2340735,165505704.549974,154964048.3675881,43977398.31737708,129758596.4299583,105487136.93177,598827295.2043445,131902567.3924323,309767647.3777263,445370435.3596563,1780693732.517705,330473473.4310353,250307904.6125302,206102045.5826131,123635627.4535577,452903450.3040763,184050514.2258223,388142608.3363919,101856759.183155,682368900.6474556,274669866.9223453,1278200527.843843,3629732760.05204,3094578308.435874,2214793131.505194,3151569666.275374,3006891147.600859,2746772237.45397,2999541082.460683,2804033438.035078,2745737437.210707,2827863410.090296,3211488252.350588,2729491127.646621,2644185087.905196]
["Com_28_neg","Succinic acid","Succinate; Succinic acid; Butanedionic acid; Ethylenesuccinic acid","C4 H6 O4",118.0261,2.636,117.01884,"cpd:C00042","map00020  Citrate cycle (TCA cycle);map00190  Oxidative phosphorylation;map00250  Alanine, aspartate and glutamate metabolism;map00350  Tyrosine metabolism;map00360  Phenylalanine metabolism;map00620  Pyruvate metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map00640  Propanoate metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism;map00920  Sulfur metabolism","HMDB0000254","LMFA01170043","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",551144200.7399435,166951512.160856,247141477.1243308,260829237.9997235,44577017.39442914,354666088.3134163,158875652.5947424,642275002.5948051,96915316.20749506,219124849.4862389,671284473.8960896,574524608.2648048,199797887.2045621,127311535.731022,69679167.92355247,334605878.7478328,1158973374.380004,714009997.2589841,617836390.1718876,407446038.8591082,302955063.9530616,199388447.0342419,232174681.5431123,324911934.0664018,1825170593.775165,1118815437.926174,47962288.6369986,45967849.60202278,344216608.3590147,467947945.3516889,215791507.224967,124775335.9523124,439167106.1636339,106643057.6392402,407382467.3159359,266915164.6057032,418992598.9870112,94783677.40609196,202146297.4590649,341901681.2787258,1643622703.790242,204702564.0139553,148149201.1437858,491212281.5698903,297138223.8474796,852810521.2753367,775624921.3476336,154063440.980354,500634493.595328,479436487.3283703,649309349.3430592,167077885.9842271,542651459.1279628,59444365.31760639,119796042.0378217,527669087.5398541,792249243.0527785,379136509.964223,860981031.464699,791024977.1957848,1060734584.217085,881469361.9193047,1017175061.703409,1031188648.25864,786313831.7734625,1102733551.615717,1043516484.121868,935591244.5198612,1040721005.662564,837334292.852015,1343378596.406439]
["Com_32_neg","Oxidized glutathione","Glutathione disulfide; GSSG; Oxiglutatione; Oxidized glutathione","C20 H32 N6 O12 S2",612.15083,2.111,611.14362,"cpd:C00127","map00480  Glutathione metabolism;map04216  Ferroptosis;map04918  Thyroid hormone synthesis","HMDB0003337","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",193234953.1255554,220483024.5932332,3285344.763110968,10956966.26469068,82441606.42607954,185110.4985515044,19743061.27944444,189769168.0851681,7477064.033462445,7215578.887625258,258345.9335033515,264389.362198812,21654701.75088436,30322178.53401405,45274065.57109269,56335306.91796383,1112681.529263086,11508138.77125093,6412198.486908993,23580404.32364297,7881966.641166599,1168258.170998602,24382902.59774824,2041945.201112505,2305405.566928613,569055.0739830368,34847496.21116564,1096180.604030745,321559.8194689747,75591275.7106918,3121911.655250927,53614614.46483439,62588670.14552701,24008504.18129323,7496183.645646782,32315709.78528928,683888.5768841174,20134739.79908712,71056144.94155748,611858.2807136357,229460.4756841446,2518500.56926552,233059012.2364558,5596186.797184633,82452397.27707982,124636769.4560599,13953313.19720226,93869267.08489332,218532165.6928686,66388828.39034976,83035298.50904803,84250257.30033812,13742744.41144598,1092541672.322944,77044067.95190297,82095270.4794916,51089991.58732823,87545447.09255858,287435003.650936,237588359.5954327,319427697.2888296,335684485.7717603,410031155.6039938,388552727.3375562,399281247.5652714,367777422.9815847,340203106.3174964,302814770.0470119,252922585.8482898,224493980.9618646,258102134.6933229]
["Com_49_neg","Suberic acid","Suberic acid; Cork acid; 1,8-Octanedioic acid; Octanedioic acid; 1,6-Hexanedicarboxylic acid","C8 H14 O4",174.08859,5.71,173.08133,"cpd:C08278","--","HMDB0000893","LMFA01170001","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",40947016.01774576,59355932.82308816,227023845.357334,33517397.46308096,64945298.73439337,948783253.6325058,316652534.9745069,28260264.80041816,353876610.4026593,39532628.3883638,232326025.0032741,401079902.3706117,53351354.87209482,14889336.49688468,16103264.28358594,43594163.62179452,45356507.70532254,395405037.5001415,714035451.8943993,102140259.0879417,130381132.1237531,124201252.406678,26980627.80754,149410602.6396843,38376251.11091188,2753130813.505585,33104850.49034388,218700512.4815294,591853248.2936984,384045829.9649662,166777690.5501008,100619690.7615392,47270099.13372285,64949283.52645172,329235508.3923689,35575599.9089544,174585529.7961469,35366678.03610344,55262083.5402305,189647714.4305292,308895676.8740745,72457114.43995106,85403934.75529374,170638367.2039847,34328569.27002565,27493082.55648386,342258231.0447685,23476764.44423894,67343312.5678272,45248507.74811916,38903800.81730577,27085150.93713745,145987554.1320967,26664561.82437764,25724020.720576,52863037.95835448,51890846.46262846,17937705.32959857,132101355.560136,132882486.6830611,135696880.6753324,140935437.0187667,119312942.9003584,119446220.5252416,118365778.8417838,120128037.644644,135112863.0529022,136115131.0899841,116683550.9520494,147513615.6011555,122275307.0903986]
["Com_56_neg","1-(4-methylphenyl)-3-(2-pyridylthio)pyrrolidine-2,5-dione","--","C16 H14 N2 O2 S",299.0762,4.793,298.06897,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},12073163.5411741,12846593.03307634,9299469.710450817,10673455.49691758,19275588.77049658,2914511.155655118,16118407.41836255,18199841.37502351,19285162.57307931,9635174.870835938,2819339.356824222,3415712.105699214,31290415.60627046,39373175.39207978,45338990.15150267,14059277.95829321,3100337.149571723,17318248.84824078,16641496.04817005,5201168.807591754,5386977.078614498,3875081.074200922,20367916.06102196,3797467.610605549,4322523.420950093,2980297.019578191,20490318.33849324,4615887.160909627,5330425.351139095,5797573.198738453,5890574.160072479,6101933.317686442,34111769.1881608,15181044.04844553,3731574.453194535,23995090.2876465,4269711.283646438,20641337.11422605,31885778.13663075,3277626.761563316,1825740.808031096,12569918.53778267,20744246.54023535,7881334.659615166,16577820.63233857,37149933.3166933,11609586.86232657,21289325.33270532,28589884.95280332,17865143.39866662,39537801.53800966,37285751.8893635,28312550.43656221,34224507.03953248,14731763.57585585,15821059.09097384,33324874.91850839,4614734.913022441,30928190.8725787,47459351.12971371,53755541.41746507,66515765.28124648,66440623.5491083,57813035.63778345,59771608.72595514,44089156.7544132,43969760.43803192,41039373.31859393,35224584.34249606,29515340.50523273,26188394.97023254]
["Com_59_neg","2-C-methyl D-erythritol 4-phosphate","--","C5 H13 O7 P",216.03931,1.596,215.03203,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results",{"$nulls":4},151724419.6931054,76552454.59766047,415058902.1233736,632188804.7548615,326734784.8826132,323255057.879169,155628195.2192413,184387821.7785551,428926400.7499541,306115560.3812817,461459693.4319104,653166652.1068034,84622201.62042338,143507748.314517,145802695.7932256,291628378.4823911,446606561.3321242,197554587.6956522,351619379.1945225,345446816.5791243,267010847.0509961,194027542.3970097,137457128.2619815,166112875.4705585,152789028.4373133,404582376.744608,94762093.15444475,95677290.93580472,260167136.9954737,201905549.26854,174841444.6869237,195483107.5979804,161300605.8798851,92328347.37796085,185029484.2764923,89559170.54118004,135326395.7046936,226317085.6707165,157160976.9655526,79247698.34868912,604532234.5771322,278498995.8322543,218542666.170878,150736965.7233848,203553256.4934236,115129033.9841043,242587309.330604,199195115.9867312,103006733.2840584,67181535.13892652,153143920.2194882,225978872.3916897,201867498.0432578,195598817.5020803,28472627.51101504,227832812.882809,143829084.4824491,38904573.16740052,745860656.886536,556202889.4404161,724708803.2488943,663391627.9867694,511373612.9287665,505227447.9505761,487677812.1307128,579872327.4013761,623266432.4611889,776031471.2434351,559569356.2835363,598742392.145257,611149515.2635779]
["Com_75_neg","D-(+)-Mannose","--","C6 H12 O6",180.06264,1.467,179.05542,"--","--","--","--","--","--","--","--","--","--","Full match","Not the top hit","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",102028746.4531324,374468054.6862368,430422577.9818236,110607701.7509613,65823392.18851919,184504773.2515471,172190118.4954838,145792192.2832685,88491906.98077689,155099126.5468127,424662632.7621129,733730104.4086379,69732984.65895675,57993170.76164469,48045364.72649409,172308022.4472269,330196420.1846398,67976804.73666728,280628018.6492004,1040844105.822774,1013323384.273393,2617941364.332493,204481133.3083815,1660968416.366222,1208130896.403784,362760399.1783,331218818.0867103,776701663.0061404,1976892386.137181,1311603328.976206,1410094626.497969,692426902.9127127,172835028.6669883,169838189.4144684,521897645.3784964,166407664.410838,1245974350.718586,287619266.383598,190764460.7769673,1450967473.24167,212337609.51777,220622905.3871103,92940853.81942645,194496818.3952624,95896767.6980136,139787576.409528,56634181.59028388,87955572.8562226,191967925.2450009,237727616.0511413,61476351.47287525,53851992.45907361,65458389.82366731,65651640.10343501,153355314.2460367,62237876.34430752,71428889.98450549,184563437.5007781,259308533.505818,238682641.8727488,240444278.1487918,236832838.4184717,232632254.8607793,299147391.314382,115192642.3072482,233600100.1981255,247219421.4083112,354723624.8294199,215493067.2207857,210767702.2718106,227750838.4496574]
["Com_85_neg","N-acetyl-D-glucosamine","--","C8 H15 N O6",221.08936,1.431,220.08209,"--","--","HMDB0000215","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Acylaminosugars",330900403.4506465,96871732.94159529,141204814.7513737,2173849063.096386,347717619.1701502,1093381820.947033,305177157.7878946,87930741.83988091,717682880.2969,914829703.6613,1233137719.314848,1426764320.79208,82298266.70068666,133948557.1715169,138864964.1812338,439112006.8609197,1144769552.621104,526521087.6696838,749880108.8128461,447727933.9075541,406871152.938447,256436503.3486629,177256494.2867369,157953944.2297688,147293478.6614201,1995461698.148412,133760484.0609288,200701626.4589418,260449003.6931835,239689908.6132718,250508133.2700956,191228060.747192,171512634.6663027,68016435.5789417,351861305.3644943,81760606.2794442,521673641.5524796,244780715.2530693,131576511.4183866,115968477.6280718,2012220720.418355,463690957.285529,154364202.9944434,979995876.4559228,339543409.2459052,99668240.65564612,408508897.2767698,142630092.4679308,27714319.75342945,52203719.9069827,161997739.8435501,132375834.0473648,369257298.8370182,161710429.5929631,30441783.63466215,211747888.7325177,204900374.9919645,37791539.51285549,382723025.955747,365282562.3517745,365962997.1542858,375474501.7762469,341453331.2903787,328279725.5662082,296961924.3960904,341255948.5951031,336338005.7793357,373662790.5394419,333786383.1459902,364511989.6145057,360611073.2634543]
["Com_94_neg","N,N-dimethyl-N'-(2-thienylmethyl)thiourea","--","C8 H12 N2 S2",200.04443,2.129,199.03725,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},977887160.655139,552306693.8211756,236200257.9489326,144046910.2460422,883262706.7360891,35965877.17971425,568195799.2113556,1887863924.327233,281140932.7724061,168766896.6941006,74947499.4414974,73690765.69793944,523525968.9692177,420602739.1530249,1153842393.901533,605050924.1208737,136330307.7251859,745493640.2926984,208188569.4458222,220341104.5489726,108013819.5767684,34490191.08389721,836707512.4575968,57840673.54213576,113355999.4678483,77340169.35883911,828031680.4548744,60782664.72045445,50383593.09492828,64320753.1213942,120689849.9386809,356838268.2965506,526374041.7096667,533489542.746328,48139737.74836162,1383511412.75632,34863358.47915224,512042566.4604939,207873628.8946628,66969847.89473084,10791980.0689329,121244791.4878776,199052469.5273001,161202312.1946229,649211945.0030048,1532388742.351625,260768418.4944196,226647263.1491921,920912562.5062124,576514208.1578144,773733165.6297817,699440154.442648,897949611.969255,2166591112.730378,743740589.1866785,1814562974.198129,331639218.8800478,347376949.0405225,147960926.594159,135784672.1779228,222805251.0152952,208834383.4891939,253452148.5101781,218346182.861371,172019775.6192594,268981938.4335904,254179438.407369,202141390.3505689,219449476.3482267,231337054.0266861,122248414.8701716]
["Com_97_neg","Chenodeoxycholic Acid","Chenodeoxycholate; Chenodeoxycholic acid; 3alpha,7alpha-Dihydroxy-5beta-cholanic acid; Chenodiol","C24 H40 O4",438.29715,7.287,437.29013,"cpd:C02528","map00120  Primary bile acid biosynthesis;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000518","LMST04010032","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Bile acids and derivatives [ST04]","C24 bile acids, alcohols, and derivatives [ST0401]","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Dihydroxy bile acids, alcohols and derivatives",273110309.3306231,1008254318.435,2339313784.076911,2488596930.70619,515623081.9207698,2149901870.735349,958127159.971098,12551641.33300237,1478114363.809664,923271720.6382078,2070057205.061473,314821585.467972,1855204.134866344,27480680.25571329,8153497.885998271,635006071.0463285,1839871643.418698,743946495.709811,1054005503.827879,38087729.11672911,16481620.38976003,2644844.300430158,10262709.6747856,10015335.46755851,5253341.619530814,1747868831.055173,2036045.770066778,8498520.407516822,5539993.280747863,4771845.751242751,8634583.549809337,9924727.061163723,1783162.715143351,845376.4883139635,17902450.90776329,5691127.93257191,13752048.88481752,64802207.67283776,18240183.98504263,3916728.721465052,1674743706.860771,676911376.6575221,48762172.7873237,1785374999.58754,727070254.4178741,32251340.61601022,552887275.224867,16165444.31133344,53780919.57944472,476965924.2682809,98212012.32810444,21364045.47408893,344188173.2121586,9710537.119924648,29316520.28228866,107920940.8622953,92579655.29162602,7265145.172905254,611063011.422223,658620775.8032333,181870646.8375852,588204886.5720849,553399398.6486275,562136992.5302588,535577065.0750349,638168695.1405337,480478518.651503,497769009.2226155,550047481.9712383,252064781.7244367,691769500.8702222]
["Com_100_neg","β-Muricholic acid","beta-Muricholate; beta-Muricholic acid; 3alpha,6beta,7beta-Trihydroxy-5beta-cholan-24-oic acid; 5beta-Cholanic acid-3alpha,6beta,7beta-triol","C24 H40 O5",454.29206,6.835,453.28452,"cpd:C17726","--","HMDB0000415","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Trihydroxy bile acids, alcohols and derivatives",95187557.0622205,767831883.794315,909807766.1669804,355597828.7176644,882002471.9373347,2817943608.429704,1407726515.899834,15512803.71611492,1015536189.217315,1664569981.103796,1695580823.003633,210215962.3080133,6308697.241635748,33654249.99120965,14114707.10498265,1148080620.081392,1446316809.497202,1218477990.284775,1638533000.329812,1017722172.857034,680374573.8686277,1386596470.95061,121481318.307071,1334321130.731988,710383952.3516307,1264389582.839968,214070386.6001928,1266282421.596309,839209084.1387707,1000527592.860704,1167308430.225912,1141402015.538093,374673409.5106198,558198378.8452497,1535362695.311928,459048659.5845628,2016152733.807785,888574913.7268323,490153218.7369606,1008468327.831842,2103147469.345897,2307976499.111871,214607985.9794922,603232121.3512144,1019408621.76684,57375797.98900701,454033961.8268288,181584630.0150117,77092682.51554719,472298971.6466899,193068064.6340829,53747878.19780551,212610157.3375986,13133205.36217297,85096868.97297867,237776280.6717186,166009335.6216014,27565111.68090912,829078180.78482,942279921.4810032,1116830947.878936,809828591.8802997,1058098282.036712,713727410.8104666,597208165.3459839,711239756.1199682,576244418.3015147,795944450.0306655,654406150.5997231,784617002.11773,695067988.7178705]
["Com_104_neg","(+/-)9-HpODE","--","C18 H32 O4",312.22944,7.348,311.22214,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",525532343.7720392,90798065.8260472,52817269.31971231,8666246.23948736,139816290.2543426,14379147.25464931,450418451.1615972,533052098.0285983,8540240.450394362,203208312.0410317,15263251.26704776,377864118.4179558,1973815731.229372,131435746.2643567,509945448.6008487,10070378.52344456,21922645.49264694,18233338.59827605,38613461.05986045,199083498.3213823,55882094.51746984,22605586.82085478,252478673.8067645,207238093.5380562,360057758.8316666,26759127.76005871,1337285120.879942,19512657.45020132,157539036.3121609,20537169.43845722,90721534.08003365,47528303.91977701,646221235.6067637,1123866313.622973,61608743.34668019,345182269.8846509,12648993.56653065,14036708.65472691,176295077.6449977,3015018.637273814,5890369.785309912,321206752.9285564,1519925129.528064,77414268.47658044,74492047.50122058,364656264.2437084,720480268.3635949,464086120.0466405,203152796.3924866,284443556.1710232,81291182.73318672,793677929.7030503,863293024.7308782,82532617.68340671,11705762.50927615,342581281.4563119,635806236.3427,43295243.51244745,90040473.4137674,43550051.48664273,95571757.3211149,95199085.08142078,97621142.17396425,90409562.5307288,25202257.48005658,106963539.2301659,109865385.8465295,98452802.06521252,89127084.68984821,131677766.0435538,106030962.1879853]
["Com_108_neg","Elaidic acid","(9E)-Octadecenoic acid; 9-Octadecenoic acid, (E)-; (E)-Oleic acid; D9-trans-Octadecenoic acid; 9-trans-Octadecenoic acid; trans-D9-Octadecenoic acid; trans-9-Octadecenoic acid; trans-Elaidic acid; trans-Oleic acid; Elaidic acid; Acide elaidique; Elaidinsaure","C18 H34 O2",282.25513,10.801,281.24783,"cpd:C01712","--","HMDB0000573","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",1181289262.667321,1100587356.829741,1588319955.751549,159881807.3071513,1286920536.049748,233463078.4449265,1741860180.175028,766189349.2863828,1100368000.481246,1013199726.202286,386148453.6125594,862007457.6653302,1097165776.851424,756071578.8147625,1065827705.719442,721039011.9674857,832230058.1964908,885951229.9340158,1279424023.213833,1267466398.940372,140373758.0141896,238794147.5938989,631411470.7771401,906321618.9116712,1887906807.73138,341287600.0006034,1158613602.328216,55996969.03043444,247889951.2705034,539824020.8421944,340196878.5888144,784243726.2865064,942927090.1321436,1895362891.477102,401380892.3625404,1100760310.754409,12467765.96026766,530742065.3138331,911829980.1227994,42563579.60038804,134562599.8738846,681205647.1836864,989387526.344344,1155323550.289066,2054411448.236032,1185248980.801085,950326868.3414572,876053012.2025287,1076804253.053746,1919283571.659676,1071840449.693681,615147495.850788,1338484026.248275,611949284.9506567,1192502119.990571,1410188525.195341,1524380736.560804,740306920.2768983,597343660.66425,602820337.5218451,649857092.4099401,661587969.380006,623194195.2231494,514598707.8800701,488769085.1670308,519298368.3536547,533255762.1342459,466586143.7664293,416524963.5188515,541082235.7083148,504569721.1929343]
["Com_114_neg","Ascorbic acid","Ascorbate; Ascorbic acid; L-Ascorbate; L-Ascorbic acid; Vitamin C","C6 H8 O6",130.02594,1.816,175.02414,"cpd:C00072","map00053  Ascorbate and aldarate metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map04066  HIF-1 signaling pathway;map04977  Vitamin digestion and absorption","HMDB0000044","--","Organoheterocyclic compounds","Dihydrofurans","Furanones","--","--","--","Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Dihydrofurans","Furanones","Butenolides",10620763.51408021,15659694.2228292,19931455.10700881,17318572.98610304,13155203.44908635,10326628.71029495,16721342.17589023,10210811.50834074,17052734.38228061,13415932.7991329,24769334.8244707,39985562.87503032,8004547.813389982,11687878.3786856,11869301.1710238,19289155.87975023,30839740.58656326,17953153.32532731,21843230.84080888,18633644.39563864,17811941.97588747,20921464.74594625,18339442.08698907,16675253.27076328,15349913.8373011,45338002.55988077,15714833.20576591,21797055.54058264,16251255.3451139,19383429.63187322,19452201.01337304,17667941.45061202,65529102.54993501,12871759.8895676,17687893.82019268,11929090.84244206,17553931.17845031,11704056.77090586,10949676.58449979,20684983.82063331,22020553.53070613,19030409.42380222,9746342.105847742,35574115.93490434,15568888.58961444,131206963.648738,14997175.55154972,12404036.20954653,13521739.23668176,21002594.49556706,12610892.84333921,42047949.17602428,13618318.14427081,7616706.435472884,7669127.37072478,15969189.45316349,14046853.9701112,5633551.95236805,12285088.0422329,13430757.7102065,14907199.07261972,15909168.25981006,17163674.73953448,16969482.506564,15930409.10221386,17275625.03433031,19671153.39466628,17870968.08738733,16739553.67744201,19264542.04177487,18790204.84892127]
["Com_123_neg","2,2-Bis(hydroxymethyl)propionic acid","--","C5 H10 O4",134.05738,1.516,133.05019,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",69809882.43372193,270359117.8297254,450386554.0941377,194820648.0873875,120693074.726621,240533754.9352346,153573015.4965957,142957679.707761,144475829.0949238,266763498.9860907,428304818.817957,750028350.4362898,36898076.90957461,56205159.27426773,75387240.39706667,190765545.2038775,358814728.2632318,115384375.8352555,223089524.4225026,1111915660.103532,1066334445.361133,926635629.3671212,219789340.7815347,1689208526.173168,1199386749.829664,502982410.2726017,319668880.2591416,1841468134.870222,1985540159.351792,1383229469.167922,1414738669.001662,736539171.5298251,208333671.5023337,161354013.5853693,580059590.4886838,174520916.8430892,1253479817.624526,325486820.5186689,208303840.8183618,1466053040.559661,477633375.3262189,209253940.8559878,124799749.0686604,240727689.8984472,145578292.9124889,90001037.17896353,64400068.80214879,138834393.6836128,37209663.57209624,175043703.1250745,95332706.07610773,91507764.87105168,54862499.56640778,92501279.64260183,77445365.37337485,106353287.1682879,65029214.46716957,68761149.16601929,210111682.39136,291991497.609004,290906439.5364469,330535334.7191362,378710534.1346587,434581151.2522234,489399850.7811676,390093374.1101749,357087663.0794478,353827672.7048001,321899190.3311163,170397461.1916218,323186913.6526395]
["Com_126_neg","2-Oxoglutaric acid","--","C5 H6 O5",146.02103,2.323,145.01381,"--","--","HMDB0000208","--","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",193984133.240233,285581373.4182146,428103992.0348179,200316039.8883457,728015215.6981206,182887140.6880528,310246587.7599198,1690221660.962213,381304596.3691385,64592701.41738287,205764241.5707095,131706933.472493,162480552.5578581,211847737.3197435,257819098.4224513,685583945.4332286,99804393.66697648,185277043.3714402,740300860.5519716,156858438.4976878,75551053.39722599,49981002.67210666,517180319.6601415,52906784.74365955,1868645201.34382,165696079.3029236,204465203.9431077,31951729.05777656,44159297.18740974,244489489.6907217,128578679.6055079,111422264.4863008,435800165.2454331,50938199.78944372,47805167.47600195,208414298.9256104,39087550.36692016,117885614.3438309,103768900.2550908,26403696.78257555,76906376.37615642,125792686.1727279,57572309.44759227,156685581.2510158,477628965.0104429,1080326786.744224,412779110.6012499,555127338.5074856,155740564.5996421,194159470.0864989,247180749.9683802,900688440.2840242,257320217.9664738,90728195.07866256,42230240.77994663,154031400.8336335,645196391.4803454,228882153.1692299,84148282.0214923,95144717.06487532,107389857.0126931,134598552.9990234,146656834.7306215,137774763.1449985,131085006.9476456,147937226.7086726,132521623.7697679,120173822.3221428,136402308.2547437,136422012.7597322,139132046.0859035]
["Com_131_neg","Inositol","myo-Inositol; D-myo-Inositol; 1D-myo-Inositol; L-myo-Inositol; 1L-myo-Inositol; meso-Inositol; Inositol; Dambose; Cyclohexitol; Meat sugar; Bios I","C6 H12 O6",180.06304,1.306,179.05569,"cpd:C00137","map00052  Galactose metabolism;map00053  Ascorbate and aldarate metabolism;map00562  Inositol phosphate metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04070  Phosphatidylinositol signaling system","HMDB0000211","--","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Cyclohexanols",397086246.5592699,431383827.1467149,719312510.9156238,293046842.485902,418356616.8354124,158881450.3019042,358810744.5368796,608404965.7560863,372988945.8290144,391693012.7743219,259925556.094261,527247140.5021875,286629861.2223858,329115307.0650332,288873390.2048617,411775085.3549334,328668908.2443423,291342220.7399722,348694119.5123814,283050019.3794718,284501794.5159319,512752863.2328804,167069431.8593122,400005139.9876174,216838276.4546024,365199249.6560262,164195308.2011462,582185757.2295213,360336300.426972,370306556.7089484,237064261.1738662,405023291.5088827,460985011.3814296,342546576.4576077,224499499.538371,363796458.0526223,259494971.8052102,345201737.8684085,392906223.8504235,354814717.491456,321389905.6256784,283543022.4559205,443765803.653628,264944401.6962829,477578256.635586,565961210.9575963,308245145.5386568,542773374.5778446,378069650.5468507,284089994.1234705,321505273.3500317,439495368.8701648,302938773.7267145,463565946.9298605,376362170.5152173,385074959.8883526,390757719.9602411,431697838.420605,197977242.240135,357136659.8416232,384197402.540942,479847856.1241083,545082824.8340632,459771648.1934372,829392395.456418,444303675.9619271,531181831.7621304,424487144.7532967,495742564.6148009,511765920.578956,475496088.1696004]
["Com_145_neg","3-Methylglutaric acid","--","C6 H10 O4",146.05749,3.19,145.05026,"--","--","HMDB0000752","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",55879574.22073135,233044410.5811201,274968050.9930335,151627619.1712018,257798190.4207224,67681040.27053191,272943062.987958,24275544.78929922,716775663.4344976,52907913.70007392,315093093.6190728,264717909.7962612,74376928.26984286,290740902.090535,303744772.9307199,156176598.7884979,137067689.2806831,488677035.9298721,196880979.4922644,786452471.5202352,346455725.8754456,75918311.44157788,610846616.6546826,203862931.0467979,1191040973.846894,150586867.0933859,1330999007.126683,65362465.94393922,366445358.2524294,558092483.1313858,313688070.2051058,417033309.3678066,366240284.2803703,633189462.3593041,29582591.69721353,229348979.7622796,41201158.28099681,301441331.2592738,194287217.5085989,54256044.03089684,66872053.03390999,484457621.6974062,42470340.98436344,68019527.39734778,102768530.3307802,83825607.42206985,35205334.33497253,104207891.2989299,52844601.76537965,113436631.7523885,182819329.3658113,93956773.01992172,459166829.5107069,58248335.12381082,61017058.71520829,166020260.9087001,94734133.50450297,18265637.53558506,124284067.87004,117002714.7197984,120000597.3439598,112413375.5846759,94461531.92680638,94627919.9668692,107138251.7668349,110823506.6779673,114478155.091907,112450690.5592791,125184817.558747,124583560.1030249,137748458.8810542]
["Com_146_neg","Orotidine","--","C10 H12 N2 O8",288.05935,1.617,287.05182,"--","--","HMDB0000788","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",562654568.0470214,1080629659.354218,62373554.04656122,59278963.75987298,171713951.3700448,20221328.28487309,194839268.7485796,256662035.6838706,187139298.0816723,368332798.9487621,34743295.37609562,81950244.10627872,948734713.5178604,721476165.5753237,573100887.2481102,203224394.9410724,259192387.4200129,589454520.7888563,199208839.315216,155797294.4805779,127899945.2840709,160540770.3371336,968397849.5286952,107658159.3237239,268155750.9855889,235928493.9687783,1330194850.551473,114324588.2934135,79940722.80606796,309657683.6889014,98558162.65987988,434435574.2223493,713490901.3043574,644932342.1018286,88137447.42806865,1250670110.519473,175190462.0717354,439542787.4985291,463069340.8371684,146796050.3687107,47763287.87096708,105945025.0962243,182319075.1850578,78908721.19039053,168442631.8186282,725884890.5879012,177905334.398945,105498265.0018463,577017674.951424,356627061.0973614,522272914.5055746,471835925.6308472,564738921.3230969,945703544.3363512,975645211.6235316,276133622.3445302,700269536.6885748,1042394119.791441,439751449.399375,500600193.3519349,510577265.7821915,524033172.6957824,547562713.3511348,575988828.9656938,941281235.614466,506043302.0982036,530364042.5926818,543854621.0000719,748692283.4520973,528705984.14106,457069704.1813507]
["Com_147_neg","Galactinol","alpha-D-Galactosyl-(1->3)-1D-myo-inositol; O-alpha-D-Galactosyl-(1->3)-1D-myo-inositol; 3-O-alpha-D-Galactosyl-1D-myo-inositol; 1-alpha-D-Galactosyl-myo-inositol; Galactinol","C12 H22 O11",342.11526,1.433,377.08435,"cpd:C01235","map00052  Galactose metabolism","HMDB0005826","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",18537023.76789154,50864470.26585443,211907162.2702409,152351763.9604493,20559521.37768635,413741407.3106408,55673361.74598614,24923424.64400014,67378918.4258528,183423598.1775359,384087478.3026232,540807925.7662638,39933016.99936183,11924344.11612143,21163207.31161864,32465362.32981433,464465644.618008,26854634.73464172,80361571.34687847,99439577.40216814,97258378.80869964,231799006.1762947,20166019.6872207,96851265.45861045,80685318.75937329,228555622.7122146,33693332.45730326,252269910.2886638,197180522.5178556,97230719.32880583,88602427.29863188,45423542.29601678,10830673.71294169,24051538.81905537,93685138.34329233,16527445.30750396,89082378.04861504,31579064.3633306,11194567.743989,199813775.4015634,303482704.9332058,76412903.9511195,19144309.78387561,119229329.9514352,37229691.27937535,25599660.4484504,28888322.36409705,19476488.04941082,29005671.52696938,43514202.64916872,18739243.04772335,19800924.64406704,28594448.50866449,14496063.75700363,20158205.31602145,18764799.84691465,22031022.27232385,24852184.23704544,72961374.5306769,65513847.38262216,61579037.87437621,64265612.41833187,58737428.16401968,50785550.54175037,45105644.3752005,49568944.00089266,43501969.73633808,50980187.69023518,49504877.08180334,52620701.97769351,51868367.48935207]
["Com_179_neg","D-Threose","D-Threose; D-threo-Tetrose","C4 H8 O4",120.04174,1.456,119.03469,"cpd:C06463","--","HMDB0250746","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Monosaccharides",377393021.1211883,327964159.4918174,226115874.1232744,112010361.8824806,202770896.2914167,35883802.22448651,213612076.280297,254672823.3139201,206373871.6433549,135218765.8161857,119687073.9719925,159998880.7206161,179447892.1847774,289917340.6547469,206855522.6983345,259990774.2035913,132285348.0456676,216623300.4120108,166799105.6060432,804997793.9077928,804340500.1133233,603808084.8225229,258386768.6527473,1183881053.260045,763718442.9361663,153072204.1499267,183777397.781863,572448011.3856113,637620407.8323169,588989440.7119123,1153744514.007886,680459092.1693184,344840723.0257816,374129053.1437753,884480023.4702182,383781627.2442269,1025047861.012834,355935051.0694066,485983645.1216633,426572874.7336624,381138038.8549371,235665962.2787949,329001917.716538,156976938.1108101,303486156.8167313,301525115.9533901,300586317.7493609,371011698.4891576,355206248.9086043,330149629.0204244,231805555.4637701,214814066.2199731,176421367.7004157,307478324.2584056,228740215.9897512,316304439.5497356,249249926.5770253,184690034.8030036,298198627.436451,350261472.3675867,374896610.5264953,389122508.6339523,398440876.1297594,419817019.2049087,374255219.8983635,386357331.4300492,324724396.4905168,433569511.4534358,349877879.428206,472072527.5354711,335051176.2031651]
["Com_180_neg","5-Hydroxyindole-2-carboxylic acid","--","C9 H7 N O3",177.04226,4.756,176.03482,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",8331470.889107773,619740.4706730423,1500017.973042483,1435945.226294094,881645.6786378744,1848074.165163536,763062.3653547958,769488.3007995981,857037.0479533776,2635587.730563194,1946412.351476636,1927480.7494313,418993.5707411371,444942.8335998449,804681.7450923991,1124451.321761509,1921960.727422407,690052.0817156519,1203428.027825216,954997222.3694108,741022858.3164735,1170005849.865181,196181916.2419942,719132380.715799,671727212.8486761,1185585.774439802,233545016.8127082,1236621016.884809,1264919697.187824,613616184.7570747,502062908.215425,303758477.1771842,38447264.38111074,20294503.10297285,815352248.6194044,36171874.5409413,462265270.9463139,78619897.23779723,40921194.67459713,593495658.8397183,1323902.180962705,656838.1477450602,390227.4036292408,870531.5803944694,1290844.621222638,537653.4125163563,533561.5486006044,4386114.242623241,489337.3737603694,493545.0953349933,1209373.404499186,980583.7534159436,464072.5899633512,515789.3602350706,538673.7975987787,545790.3372833976,392008.1124731024,809974.4231442394,112454699.050495,140069055.4913136,142488229.6195462,144657507.9625131,148436448.8707935,139355806.7824488,140876972.4053822,140413831.1235733,136361831.4450853,135422126.6280769,137649913.9289998,138166944.7386073,146809863.1990076]
["Com_181_neg","D-(+)-Fucose","--","C6 H12 O5",164.06796,1.445,163.06068,"--","--","--","--","--","--","--","--","--","--","Full match","Not the top hit","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",60207439.34372494,49205328.54605241,415611218.6914939,169881554.313374,125705235.0807862,411132800.4788998,82428729.20177552,28392301.05545921,198378527.1010855,154556702.0296203,661524248.5677582,1145109733.283335,29514424.890179,74285955.40264249,92139928.37206426,99418065.48437256,512701093.0111165,182977441.2236033,149295857.9295484,453981929.0328343,610803501.9447994,973936199.5318532,192783251.7407101,684703882.9859457,263779783.4443728,677822795.6702863,171362257.9891408,1332582907.120489,683386240.3332942,500780716.3925991,424344215.6567087,208086968.7793157,105425807.599795,58807134.79324225,450812576.7998357,71976304.7487747,533362773.0668097,236793545.9712597,95478164.99109474,711626773.5338373,697388998.4470339,237066406.5805463,44863409.48161581,340581659.4055941,92526748.85560884,47289292.03552576,95414633.56914686,68631661.29081096,34797756.7495496,61201487.10988917,93112523.16875964,94041865.65869758,140194683.3858693,124129320.9773689,22858549.11607053,123052727.4736324,100152706.5051172,21941473.42041076,123934509.825724,107710390.1027091,110395300.412248,108403962.9684374,99883927.1508408,99938217.0707877,91798125.64321151,97339860.03175642,89897063.52511945,114554619.7549067,90671455.42018768,98218543.18928078,106203197.3592996]
["Com_189_neg","L-Threonic acid","--","C4 H8 O5",136.03655,1.416,135.02936,"--","--","HMDB0245425","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",135496323.5938562,184520173.0388672,178330169.543547,52253188.56458307,157804528.4990465,15507297.07824866,202221071.3828673,129322952.2946764,85022521.61618079,62014939.0477934,92816708.42220484,37903774.71109305,279591698.1529548,125194278.5671243,132658449.2837672,87871155.99393441,42002763.57763457,142729135.7504362,191221391.2696616,279427668.5592535,164607094.6606202,181517419.3776228,99189187.95259506,216191949.6220919,273980441.1422893,7358707.450205887,243799852.8289071,62987622.35117443,161666432.9622122,276257170.4714587,195969762.9512586,205046258.9275669,123568930.8838902,210676739.6512233,212226891.0699673,220825624.3096601,198063854.4281304,114785229.2147521,156044565.9092209,540790208.5224062,11886185.33641027,187798981.4796658,107051253.9104953,58600557.33586567,105521185.9547319,197666690.9533624,104416562.8031676,70871349.64885828,145341433.7505255,353922262.1130763,140534167.4441801,136916501.5671405,224886658.9205416,150797006.0656111,99748306.36482188,123423274.8505978,173715601.7672025,28135127.39353726,144337197.341258,85729968.43397157,138683300.5484412,168763227.7732462,135539215.111561,178609211.8101062,183044851.9596524,183981791.038842,108083930.9457541,188347621.1328624,157428582.8752435,172344055.5514996,185463685.9331863]
["Com_192_neg","3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one","--","C12 H20 O5",244.13063,5.725,243.12335,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},9961327.956232892,27897517.34099172,540736430.8823546,102733689.8348138,13189890.67033552,459018829.7075998,41979032.79123565,13828678.3640719,173847367.3569512,239427750.331709,482749420.7089937,1282245114.617244,101993450.4954421,11653750.74032525,19635531.18943365,56267508.67879348,585237941.1919665,96317608.71109438,39611513.78920969,108770979.4236565,112349846.4227438,363208941.7334893,48019853.5405255,116463759.3205801,80264721.87760879,546138693.8126271,82853220.28051284,403833027.5448,136792422.4207075,127313875.4146638,235552594.3480723,102016142.4161604,22556714.81136018,59386668.5252602,155578314.3439754,27768076.871482,166032862.3193935,46084364.17951714,22107737.68182307,139896855.0418127,1031874739.986675,290037896.454605,79935611.22053155,550374812.5363321,13983299.30883092,11514386.75469964,61151991.88747241,25576078.79201914,25921005.27308274,137971785.2657448,34120918.16829676,40630682.60997096,54603662.80316973,7815718.047655351,9301489.288393471,22822457.47437126,129195024.9507516,6308943.77496723,31462575.500138,31223108.06397264,28296681.45306771,56522171.85601246,27099460.38641709,29326719.62734888,29480592.61720439,34899010.87214008,48959603.50804812,33096173.47438831,25458603.42848055,34817714.31729179,33599468.13041622]
["Com_204_neg","Glutathione (reduced)","--","C10 H17 N3 O6 S",307.08308,1.691,306.07574,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",4111633.39149536,5620211.31729963,1104497.286938384,658205.714909688,2172043.357052642,914455.341649328,647476.4857168344,16927491.28401548,678507.4048287024,1368578.077191221,1443445.225434143,1367407.948082223,881140.2483454956,963237.0745577228,1538850.407428696,3263417.218591476,1371710.191150525,922336.991899172,787415.2821845359,536305.1927113519,674825.3392404944,646154.5339491752,1123809.168797203,518285.9438311224,560670.3739049644,882939.4833477678,1467683.170412183,536761.9397506095,500367.5450845653,673163.5405876877,605904.0584897297,880228.7276085943,2317460.348725851,902913.4913231124,612214.5790500123,1778096.778365826,549166.2552599696,830102.1586450705,1995446.711879824,557897.0839638859,1140768.089321071,678204.9490512959,2316317.123448653,1082368.825434189,2874147.548735,9545431.048017671,2357306.380862561,3828046.375886688,8819519.984952744,2403673.607637636,6771395.06945491,6379288.427312508,937673.932864978,4132382.361801861,5476019.563239963,4508177.990758919,6017511.194470995,57028010.39001512,855975.696928311,933176.9493679666,709589.5239444637,1098197.926530368,729206.6547963554,673141.0598290787,697598.9581459824,790328.9918445566,813322.8208345791,1089399.182337985,732097.3156849061,715465.8957706668,753583.5223895693]
["Com_216_neg","2-Hydroxy-3-methylbutanoic acid","--","C5 H10 O3",118.0626,5.337,117.0554,"--","--","HMDB0000407","LMFA01050478","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",17740704.15257433,80920361.71128473,38186200.481196,51106308.62471654,21423663.62250954,33392490.06644158,26997619.11170084,16049661.23164105,34426871.2409691,53094239.29513687,162019551.9396562,510516651.9214565,8336004.745506388,17912330.96475882,12216399.24625334,28939159.96394307,104161812.3088832,85290201.03145353,137995902.0036535,113463237.8190784,167489421.1854452,288516287.894657,14611037.48348131,396247823.74137,32501405.19974138,819788567.5189816,10628930.32369317,332155305.0097785,230587247.7874874,196783831.2757131,174308689.6094387,95183117.02071786,40434362.35250428,26050569.01820783,157931676.7371899,52585071.90324468,164616898.3371833,49713880.87339099,34798933.19530477,547801290.375168,206104743.1168847,97042534.29340824,14270258.86961683,136696036.0366623,39382301.51384488,40961730.05563206,22619506.18772047,47395264.61006206,31613714.27744852,96699927.0176033,49333017.71124443,25424551.4707871,93596671.7348634,36267845.04813621,13763339.17455963,38566191.87515757,49130088.40609231,13503765.52200017,66729600.4755435,68544163.88720852,64181373.12986669,71741420.49468945,64019633.64809773,63225382.64579844,59429428.76484635,64322652.07684729,62333431.96665562,66985199.71751777,63925348.93081159,62496525.60819644,70202930.3446114]
["Com_225_neg","D-Glucosamine","D-Glucosamine; Chitosamine; 2-Amino-2-deoxy-D-glucose","C6 H13 N O5",179.07867,1.365,178.0714,"cpd:C00329","map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways","HMDB0030091","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",103521525.2129181,80671756.19370215,13170185.25043286,11863769.22894952,24690260.28519667,4663627.10427521,29139047.93022234,89666205.8875076,18151132.6864486,74347803.03528503,14357923.67680468,25628886.06667985,184455035.9579024,90984323.74200836,58404018.24640467,36878262.37909831,41645172.25139698,65295896.82713598,38610529.94867384,7243983.445845972,24951619.42295954,61706968.69591816,64067530.10450073,26499561.97614194,18415806.5173871,27024750.18130643,276476607.1108609,20113932.59068736,16506579.0058846,18362330.93492214,13988207.21451459,42898019.22759394,102681256.1727129,42186798.04995107,16662793.03946601,156129710.2901004,17493193.80539913,64789773.44391903,108575515.0480074,19891476.11989014,12309142.95648342,22518091.92358885,49664266.22492257,23980799.52992891,29373549.51037511,120393207.7889722,47936140.10061635,42511491.61789294,127295144.6043036,66725434.01360626,49587062.45661297,213933650.3243693,33418476.6295426,204361341.3306374,169242398.6018751,62532044.5182998,54946525.07601822,305194904.977686,119352968.914115,70543764.0436903,78620249.826158,77418342.0829021,78340332.38962603,86367710.07703258,94442229.36529788,107119451.088043,127556938.79329,83683789.98135655,70189638.51455697,71193107.75959767,73463039.83388709]
["Com_235_neg","3-Methyl-2-oxobutanoic acid","3-Methyl-2-oxobutanoic acid; 3-Methyl-2-oxobutyric acid; 3-Methyl-2-oxobutanoate; 2-Oxo-3-methylbutanoate; 2-Oxoisovalerate; 2-Oxoisopentanoate; alpha-Ketovaline; 2-Ketovaline; 2-Keto-3-methylbutyric acid","C5 H8 O3",116.047,5.131,115.03973,"cpd:C00141","map00280  Valine, leucine and isoleucine degradation;map00290  Valine, leucine and isoleucine biosynthesis;map00770  Pantothenate and CoA biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0030027","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","--","--","--","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Short-chain keto acids and derivatives","Short-chain keto acids and derivatives",16544971.50389638,61621914.53439129,156314932.0273029,124159454.8919791,22780474.75120259,194155955.7769534,42516469.10869066,14489143.12376473,77615590.4200183,82666783.16354579,328222091.7657345,480504216.9387285,11477183.90639133,11663554.49540696,11854913.54661312,30829422.20586225,143909973.3347921,60299553.35653238,192682270.2732366,137989457.3466344,275087502.9872162,214156144.8726877,22704057.93058868,162820199.4572975,58034360.14050057,743721690.1248064,21568665.06931284,209415208.9638304,227011939.0569311,250545342.1468321,86753021.59626211,82430817.3484215,24460059.47407014,19244021.08614294,174839441.6887214,19658027.89375558,395693877.3251445,33041525.69456318,26303191.69727188,100430366.773321,322525963.5037341,112271546.7557581,15690608.93329919,86092899.7625386,26942485.51331391,19456912.12098976,29792817.91855883,16720500.65116618,15919872.4900618,46087309.02961338,14414098.82873166,11618007.73995454,33957972.03794925,11607560.26278597,17214632.97878997,19730577.28252697,29781342.14254893,18559755.25019989,46749642.7357541,43400620.72610324,55706370.85838578,52603026.14514081,54653063.86442154,55285397.01966019,56798667.26000557,59914980.11597943,59227753.34340739,64627516.71541176,59570737.62264971,55078204.98846605,65637768.81084921]
["Com_261_neg","Adenosine diphosphate ribose","ADP-ribose; ADP-D-ribose; Adenosine diphosphate ribose","C15 H23 N5 O14 P2",559.07041,3.023,558.06311,"cpd:C00301","map00230  Purine metabolism","HMDB0001178","--","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine nucleotide sugars","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine nucleotide sugars","Purine nucleotide sugars",2292658.084176481,2158613.612956812,1294908.649162984,1440510.00792166,1537525.044948627,1426927.330584542,1261761.398705458,1641342.222467376,1947874.420612273,1479521.053399598,1345025.370604084,1314182.631204116,1304570.51512771,1727460.78910344,2463799.794522671,1092477.63204691,1408056.52918506,1115456.446548171,988655.9802663128,1120026.945259931,1259044.189402228,1292134.825618667,2266756.558153846,931543.3357277388,1479610.691962155,1016221.899216296,3832857.271455307,1242256.920132458,1101325.580503843,1466835.128182685,1213487.975008891,2250429.39001473,1900835.560833181,2666045.464236188,1669459.432933997,1282652.417174375,1136331.16143656,3363709.670772182,3195334.844914739,43508013.11150495,2533947.429450093,1829820.949083255,1498685.936215076,1455005.304846732,1866628.268858178,1542798.911150259,3949081.135259108,2328125.135091389,1402763.439132334,1360147.296271352,2362534.662495606,2926087.67248701,3307932.970870344,2646860.312079329,1239387.111994494,4190755.178877658,2302202.246784193,1978533.162118874,8681615.07391335,10115282.83587425,16283953.94380229,18989692.00998977,20222506.9206148,16269965.35172223,18266411.1282265,20476124.3000604,19089732.39478166,20162522.87834175,20678809.7682481,19045121.86021291,19831764.69624917]
["Com_266_neg","Erythronolactone","--","C4 H6 O4",118.02607,2.268,117.01875,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Gamma butyrolactones",112055984.0226915,58145403.92685551,110118821.5280384,92367181.9702452,20553971.69217221,181667522.8097558,47924112.9354381,146163730.1671423,29428645.49882013,80808215.63329612,184087371.6812452,169418147.7927944,71212954.16057405,32481196.36217068,21471153.53331612,114552832.5304582,468724600.1905068,203437021.9052816,239093016.5586569,187198736.2848448,94057558.63526738,89160590.8100202,55209060.39872129,116014103.4188747,771062839.3122048,329676928.1272114,12107710.85877752,13438926.13346998,104127856.9579101,179296467.3512838,63585454.49283734,124775335.9523124,119485500.5901362,53691326.41573511,126287625.643517,70436210.2289223,175675549.9845313,34252304.2687723,78933634.91602422,108730313.9641111,450331075.7708509,76607818.03746016,41118162.8064789,158510770.0498897,127923290.173548,304999219.6085539,240268211.6144857,57232318.44818288,135960919.4980137,165148575.3811565,176445917.7948239,55945907.92026672,191294655.8432868,16490628.4440441,34244537.57330015,186848005.3701306,196417910.4493326,119065793.2260408,329826080.711398,298505344.6373602,277176525.8354777,302606840.2258643,243920813.4134972,212831036.4141684,237417924.3878479,224117664.304866,236821668.8453982,257985960.2665651,259639062.3360226,276870474.9443584,319485506.7486408]
["Com_267_neg","D-(-)-Fructose","--","C6 H12 O6",180.0627,1.721,179.05542,"--","--","HMDB0000660","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","C-glycosyl compounds",14841183.21161292,13408217.25952584,34630993.72964111,20627725.56449286,19617175.82380584,23302594.58744821,15186687.60098278,19104971.03491748,20853914.46671288,19142324.92449722,29313666.82620727,48532049.47425535,12948482.62221075,17845537.22991276,16028011.65892961,16620026.12386045,36619857.25488508,17163954.96726738,18682859.40611689,199025959.1189252,158150154.3301329,834116586.9064027,35728572.11739155,210241091.3792108,207796655.4425305,47446857.66823013,55521858.27042028,150478840.0895416,264567536.1234046,215285660.8149853,287928587.8088705,101971405.192705,27888453.90841924,17320007.80110088,51561445.24085748,19927271.64786128,150481124.4802443,38459017.13192096,21600410.48239766,453749826.1814953,35459594.94485608,17789153.58217832,15151842.93636902,20627759.3586328,14941859.68297494,18024336.89282909,15542553.42762502,20131614.62918523,13123464.14311596,14509940.70887704,17398818.46040904,20456742.05019192,17572523.06380473,22290757.2300874,14040710.32884034,19631053.14261972,17140984.78525926,13635353.96280786,44401711.1747912,35013902.46304958,38289963.60210983,34295797.13872401,31501894.50976543,29713934.64849178,29089052.72511699,35168769.82775402,33457987.59653725,37874382.67931947,30837998.38355924,33229629.22630146,34285855.49396452]
["Com_279_neg","L-Ascorbic acid 2-sulfate","--","C6 H8 O9 S",255.98823,2.007,254.98091,"--","--","HMDB0060649","--","Organoheterocyclic compounds","Dihydrofurans","Furanones","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Dihydrofurans","Furanones","Butenolides",10974290.29269283,14027707.87145662,8778619.22347979,4073422.62030888,12070078.74549473,1657507.503964473,26661780.70837149,7022416.225625402,7584976.5049593,3706209.827112286,5661174.02390467,5670511.008178245,13300686.06824033,29840028.59104488,19984679.82839373,36012978.83561562,6797305.964965259,21748171.88366391,54881086.08930285,2032053.659200028,2162476.838188951,1820872.117731761,709319747.0368681,2089009.718734931,106232890.529412,2312652.95951699,62246819.12500923,23837141.25941094,3303833.131181364,25399978.34521774,1652574.993231645,23275967.25083212,44575225.57466436,52795515.35941792,1768280.303049881,14067018.82089078,1993557.169465467,52277417.56324729,11523297.11204383,2546768.490006579,6169496.718277223,7956079.27857813,9957364.005228726,6158933.284814419,23737838.5120028,13832204.02007701,4010932.840040711,4880480.006614592,20980877.47894195,6546442.558382638,17354532.85542181,17606919.50242038,35924213.79548744,7925749.437086948,27937365.91238864,14982837.12532235,10264214.92134259,96661886.26929888,135913091.801428,141867825.9255184,169807362.3040868,177553478.5851762,122087061.5495185,133581545.7904464,111459983.4086115,144235923.1876917,141638231.9671089,64659332.09430799,189113423.8031081,130924667.6462144,147731729.5574621]
["Com_290_neg","Lithocholic Acid","Lithocholic acid; Lithocholate; 3alpha-Hydroxy-5beta-cholanate; 3alpha-Hydroxy-5beta-cholanic acid","C24 H40 O3",376.29687,9.113,375.28934,"cpd:C03990","map04976  Bile secretion","HMDB0000761","LMST04010003","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Bile acids and derivatives [ST04]","C24 bile acids, alcohols, and derivatives [ST0401]","Full match","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Monohydroxy bile acids, alcohols and derivatives",36531030.92861997,85822651.16014934,493753350.2623232,543629266.776768,63354253.05236828,1027347881.018406,252563012.3631626,240614.7190474912,334391561.7535217,84488070.13522734,553990205.3917704,480788521.7474126,165215.0054718243,1236592.049508709,854228.0495856431,49702869.30409385,544031677.8879342,167698762.2523463,269418441.1437421,4595070.342882052,4552105.578237243,3802748.824113006,2081446.366033733,1432834.569192711,2934041.671749254,491198444.3341326,485734.174670628,5940275.040120545,6477678.594334908,1621193.991546565,3163984.008880688,1505044.074115913,210821.7549900803,106844.7953740789,8468332.487603579,422144.8300186518,6120394.854205608,2082166.487336763,1082107.411358487,1860876.182426644,506164025.9763792,360470065.0474159,1502638.77026999,647055019.25903,101818762.7127696,2703313.348107664,70062941.58830172,411723.4241265454,1913356.296802114,82426751.41263598,2714388.197722655,316657.6891388212,101672950.190247,175387.7599767747,1396187.927914748,16928888.92966551,11967514.22934188,316679.8296827266,83248827.0884548,81808954.9969455,80931236.79866442,89299955.99080701,79425230.38316512,83544881.76045072,58046905.07235866,74440636.90486658,60057280.35418793,87415563.73551548,72824346.08426031,84455987.19777024,75869198.2162321]
["Com_292_neg","Fumaric acid","Fumarate; Fumaric acid; trans-Butenedioic acid","C4 H4 O4",116.01058,2.547,115.00331,"cpd:C00122","map00020  Citrate cycle (TCA cycle);map00190  Oxidative phosphorylation;map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00350  Tyrosine metabolism;map00360  Phenylalanine metabolism;map00620  Pyruvate metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism;map01100  Metabolic pathways","HMDB0000134","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",114944245.7913192,137544605.1306877,87210223.67191485,206189697.4886208,262544896.2684892,29548882.70005563,206507582.2905402,223462861.8324191,178377929.4068957,97880822.36772324,26100698.40934192,15358026.30727891,249047417.7800477,274450376.8982702,244178494.0377949,151174158.5772886,108480459.0653953,219604642.8249778,153093476.8825212,214034802.0218142,111480966.8210899,39019862.30269204,692870068.4791104,85750352.374272,256145917.4400706,15345367.64635075,604478830.0030714,20532072.88209504,91527537.67584293,205266018.1950468,248923070.281607,285797709.9042661,389947173.1703188,193864073.6698364,57795415.57092335,262670348.849633,55298891.79980644,333060133.3420066,243926908.2929376,22504963.04057293,11449758.91126837,127950039.3269168,272516673.2784703,150492223.0170902,113813117.6030488,136351461.2676874,79330095.34783714,289510182.8019055,138776471.4565476,229983897.3713185,288369988.7864776,273676850.6198591,163790980.7901002,300886304.5968632,114195067.026989,199410265.3888063,406009265.6481272,48603497.75401706,142433740.30951,95124561.10783374,145187415.4907877,181227553.6830034,235561188.4289855,190508944.8913181,127286021.6686829,233688217.6986892,241645136.5759651,252566166.329791,238932136.8002049,249032042.5527114,267197961.5296339]
["Com_297_neg","(2R)-2,3-Dihydroxypropanoic acid","--","C3 H6 O4",106.02624,1.453,105.019,"--","--","HMDB0000148","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",75881971.04314457,521130714.0685418,634511133.347897,228188403.2254057,325654613.9510038,162719349.9174881,473154703.4211549,69747146.18058959,958807814.9088068,262779102.3280097,139411044.9287288,62078976.54837622,239269102.8480715,325771538.6371752,271390799.9288207,186374363.8661995,242525604.4456749,359211549.9717333,299273848.2183748,287979748.6730356,147250985.1508153,46721893.54122135,545141731.7257264,171077888.3611934,250379767.805682,17113695.03709209,486169522.3613979,14547272.24776507,58247007.38300126,133663580.186797,69535198.45719957,388996416.9711129,331503662.549592,630367577.2785394,157705844.0822566,405408549.7015239,55059593.68468181,396540478.2119143,406162946.7434936,11453786.27044277,17778974.95139129,427637846.6527814,182133799.8544041,204661548.9647491,302683598.3602526,258912148.0750921,161398271.6294628,276952806.1914995,410729222.5268089,253113966.278685,418944236.3398231,316768317.4379281,529965642.7703317,194941287.8636414,185391701.1116702,526799169.9198178,334382149.9302682,62298395.77274547,94343107.3364008,100463498.1224733,105037058.6622907,115127770.5601711,108052738.0699676,108905732.0424062,105362834.4266052,112919580.8393941,111966372.1398476,134272547.9359668,104865154.0515248,106238693.2538534,116809505.652931]
["Com_303_neg","UDP-N-acetylglucosamine","UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine","C17 H27 N3 O17 P2",112.02687,1.903,111.01968,"cpd:C00043","map00520  Amino sugar and nucleotide sugar metabolism;map00524  Neomycin, kanamycin and gentamicin biosynthesis;map01100  Metabolic pathways;map04931  Insulin resistance","HMDB0000290","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","--","--","--","No results","Invalid mass","No match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","Pyrimidine nucleotide sugars",291599660.1600242,221641572.3555146,236712713.2806134,374753835.5082693,293915975.2182907,213535388.3971388,205006416.2034646,246079710.4430806,415103465.9254519,274123970.9825975,372636224.3543936,425021575.1104766,170114391.8616989,344719393.3322161,413803317.8507652,152894404.8169652,132679639.6351987,394050494.9863973,286428105.9207267,348466680.9997066,412408532.9825742,229537403.6048914,491477865.3063669,226728300.7927488,286565665.6962111,600124264.8366522,368549589.1925855,137366931.2359778,311335672.1857361,294552058.3650118,241792800.0189576,308054512.8835244,349374936.3401387,191255747.8880486,181338037.3231057,314903453.435734,406063948.0577933,458560145.2733574,312603958.1981919,170758242.0698413,510706875.2358812,498406384.0545036,210099684.218197,250715630.0366364,320673308.0094939,187956305.6647781,274666928.9094877,318339607.5192505,151285440.5061038,230124799.7343776,285672028.1642691,374183436.2016217,296616303.4372664,301554511.5913951,135473752.3598911,405907865.1367468,224800061.2311714,152559901.6090763,180079120.964392,180717897.0226711,203690545.7452218,214722340.1329308,131572180.7751674,116525680.0374407,160316050.3988206,140162715.3476548,167409896.7685491,168607011.4126622,192166196.1026917,128059558.557705,149453457.8517775]
["Com_316_neg","7-Hydroxy-3,4-dihydrocarbostyril","--","C9 H9 N O2",163.0628,5.356,162.0555,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","Hydroquinolones",8676419.309454497,24685787.97521185,296957109.6677489,73446948.63717744,21514512.75686477,285949874.5379919,98312553.15157267,1760682.739397113,122281400.2081269,256327184.9064578,355331613.1774278,798277375.5201647,713512.943061015,1198157.084479183,1114969.193748621,29689304.52031536,701573810.479926,89845690.56348898,135220058.741444,266093770.9284699,419063075.5743299,589413345.2414845,38089375.9030515,340599526.3415146,112380535.6544849,323156655.761898,31110636.93763174,758808841.2487726,508457195.8740124,315150422.4627542,617955036.0570222,190468185.9819301,79695206.83004326,36381725.40321109,772860726.419499,50437860.80659468,622206476.3608402,138113752.8402147,61141508.28749431,812152445.2404114,384296092.2193828,211366371.5036439,65363202.35614992,98982741.96907791,15066324.74628153,2815811.045235935,38795009.95278836,3586516.202431682,33695431.7145243,91466055.8050348,45477889.40092839,6268653.667394349,50193235.19427824,1237529.806335653,4789237.696174167,14429877.2131737,60196268.4987086,4320618.210054299,127133360.376241,138938312.3943332,123133644.1629586,139672435.9594974,127723728.6637706,113949402.1709378,113023008.3481678,109550910.8066137,113275233.3734102,130206248.1565314,119072788.7195731,98576291.67903158,125173138.3304855]
["Com_328_neg","D-Gluconic acid","D-Gluconic acid; D-Gluconate; D-gluco-Hexonic acid","C6 H12 O7",196.05757,1.581,195.05028,"cpd:C00257","map00030  Pentose phosphate pathway;map01100  Metabolic pathways;map01200  Carbon metabolism","HMDB0303730","--","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Gluconolactones",16320399.64515743,41286940.74336227,7987747.301996227,17387120.78207381,34444913.99052721,3295714.31550699,11070813.9979772,11722744.05301558,22475950.10116534,18555128.90664404,13862301.93851224,20617033.92883158,9246919.13266912,15108334.69272092,15202090.62448258,28556663.04194042,18780658.89896699,17612977.93290442,20601504.825323,42552570.68319631,22136676.38755009,20655576.35288461,92079571.67295513,21173531.35053165,61760682.88401014,8707023.924716938,107928131.645088,7418122.490703259,20854250.47595608,35246847.53107141,26563312.6953183,34556795.33246594,19781502.02989085,17104178.20546819,16587968.13339392,17308558.85331724,21570111.49894411,19579221.91011848,26125057.20998724,12854428.48556027,8837744.89220845,12869775.74735947,20701870.70141704,7666587.595973684,20563095.24576494,10484053.94350439,13605353.33104626,15057882.50329422,11573458.39260225,12079393.30703335,22421357.60716347,16078171.18656042,15331468.1124126,10402836.15964847,16638360.72157819,22443791.12967114,14896274.32930813,15874049.92958318,127754411.792789,96322071.11326648,129476669.6221192,101571747.3208051,114084970.895477,93632830.53452508,107693883.5093024,110407070.0955866,123287844.0375576,96508540.30139966,85620838.13354298,117135505.7632347,111607111.1895357]
["Com_329_neg","6-Phosphogluconic acid","--","C6 H13 O10 P",276.02391,2.055,275.01663,"--","--","HMDB0001316","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","None","None","None","None",104367682.0308844,5765139.275896923,2025492.160448931,3089672.665734757,38622285.66867603,1590402.212175395,31667307.0529249,230581420.0800795,8499404.027766863,5537230.455526268,1857003.539020504,7575593.700918593,158862735.0063882,720525301.0160035,548466079.909213,3988938.33595168,9600368.134722829,31611344.0909673,15316426.56766404,9031276.883211903,8641886.237716727,1522387.573302609,2487744.962153693,6318168.530850765,2912142.496090546,1983406.166640966,6075797.014352225,1561600.526759251,1758533.702326926,5691479.966778718,7654867.958579725,11263611.46089084,7175632.405494856,23869126.22072102,5557792.28054373,42220869.86518903,4616925.004323356,3075223.650813947,36820713.44278358,5640732.678415185,6833797.22182746,5182219.138927893,76394978.52166629,5908406.266435477,21395811.88762144,80733107.6702603,29758505.79515503,94573279.74653964,94423214.20912272,35275798.3599341,186217460.9444741,30505042.57065697,62693210.19325817,185718109.8491329,230074633.8569636,5847445.571839008,116536930.9852223,78802766.91143452,4999838.7004162,5878834.731980556,5774571.836371666,6413259.144404055,5563782.338308565,5876647.790573828,7205335.42332422,5799941.212780379,6424451.6095511,6264552.32116459,2830186.77959384,5466258.501030584,5988352.265029759]
["Com_339_neg","O-Acetylserine","--","C5 H9 N O4",147.0528,1.753,146.0455,"--","--","HMDB0003011","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",211513509.3371462,227255775.4134161,423964155.7785422,592229374.3101435,292396457.0447035,183336282.6548943,257339968.3438329,178785787.0887888,499662400.2305773,217247638.8111466,399105124.9601653,362319815.0581128,282455750.5943974,356160612.0508207,372732640.1043877,402324822.7777718,317022361.3057559,252216289.9514522,344642641.8852159,530771164.8171053,365649368.127295,187033299.2870387,393715857.8141493,347416076.887544,728785725.4500508,271455852.1969225,568965543.1804959,188610267.8018101,537235559.5028276,402875823.201023,501945686.4490982,322473109.6894464,269656612.4544551,217744174.9673352,256111999.5899872,217618436.5035496,408560714.7126979,314500825.492411,227578960.5087216,360765797.2163021,249634158.8045473,407465443.3998573,259304824.3160228,177226355.1102101,203821079.0121212,214049234.26329,196276373.221134,215782343.9358961,209284458.5057501,214626686.1210033,236614122.2330408,276824721.2832421,440781221.5017939,207311099.1217579,135879564.4594442,356131461.5929353,409680514.3728879,120839555.4439383,357957609.137553,241111751.7125829,265133425.2701218,260581887.8053293,220725020.5254141,207340388.605856,201296644.2902078,239358955.6359143,202701909.1689938,226601391.5222101,206773642.8122209,268806168.2588152,252052520.3311928]
["Com_340_neg","4-amino-2-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile","--","C12 H9 Cl N4 S",276.02409,2.492,275.01682,"--","--","--","--","--","--","--","--","--","--","Full match","No match","No match",{"$nulls":4},106777230.041562,6545948.078750531,1207879.285143475,1847105.085135181,31233272.46473533,2875459.268878385,30878577.85170827,219640079.6735028,6550721.040217468,2105030.540289692,1372267.461404253,1464699.19250596,151920570.7162964,688617594.242567,569627919.2147346,1598682.605992341,1461970.250374282,27326321.05910785,12620953.62672902,1295590.387921788,1741845.513218903,1203539.182172133,1328223.50286077,1167263.575063,2020094.340598337,1565368.488554914,1107614.136000221,5328293.122567138,1146361.996295587,1475787.519760874,1550390.895264296,1860323.1627134,1813155.845542922,24090601.68668616,1417724.931295959,33024723.51735635,1333116.210393914,1430553.333685805,35623431.11828954,1268281.061822971,1343552.893017762,2518945.811225005,77815605.43466656,3333057.367139115,16941930.48116022,79043862.85419232,29576009.954358,87172239.40829389,104523105.1427928,34950509.27781157,174519528.5952532,28517474.83701029,50732898.55921358,168932906.9330814,218537549.7359565,2208792.168064725,97378400.23832108,76117947.96353732,1664934.05458283,1614998.714452618,1466349.414704867,2095695.261473289,2023529.632319536,1447722.922072268,2079091.779078936,1656371.741481309,1637211.364578726,1549838.694117318,1503746.684284274,1840604.421361603,1606910.027236322]
["Com_342_neg","D-Glucaric acid","D-Glucarate; D-Glucaric acid; L-Gularic acid; D-Saccharic acid; D-Glucosaccharic acid; Glucaric acid; Glucarate","C6 H10 O8",210.03696,1.518,209.02954,"cpd:C00818","map00053  Ascorbate and aldarate metabolism;map01100  Metabolic pathways","HMDB0000663","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Glucuronic acid derivatives",247963057.5007384,289370155.6027679,313191965.9067627,221919278.1719499,386088997.6445011,107958891.0904145,392975851.4132218,246100593.8679127,241003886.0615154,107170866.9315131,706648637.3168936,72685715.8961465,188464727.945186,358369589.9286777,321613184.3211431,583072840.3747036,153737172.4223237,277538699.4604203,175251426.8227745,159380941.6112198,217363362.6529785,92911477.72318754,337748455.7617173,163244090.9893047,233728538.6081601,67177639.40149507,278776597.0480304,581066287.8989253,103375055.8116313,191310094.5478731,200373917.1450506,315644298.5767856,323556044.8986477,429262443.3934391,198403696.1534008,334186849.1875734,74795178.7001192,302565027.4282281,301234989.8520287,139259945.0881367,340629713.7394723,474076951.2676565,290216322.8305811,220935804.1764719,406388658.0317858,397300929.5854929,294908560.7340204,213724699.7718604,416259285.1421997,293235652.67825,365535876.9945874,181131323.1427116,186171710.1224028,242854478.5364249,171159685.8419239,435917845.5768229,276845901.9961796,86812689.45229037,337992238.860359,183209256.2162231,413004871.9929082,351039197.536705,434455700.6817054,448358010.5164522,417568328.1439256,398040010.0843371,501239132.1088809,489972990.5059701,451292629.6747089,226654434.1199629,460681701.2904204]
["Com_351_neg","D-(+)-Galactose","--","C6 H12 O6",226.06821,1.474,225.06084,"--","--","HMDB0000143","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",45292897.02999824,206408241.4038579,192509382.7188277,67487423.30552569,34471098.98276371,60136993.70473091,79888760.71706797,78543985.16065955,51472206.0503817,91780169.59903646,128238932.8871001,233074119.8416755,39448607.01792901,27518932.86448766,23805230.79233562,80658538.48650765,196152306.1638158,35046833.3496679,112173231.203939,119015776.4827,47365310.96385308,265188339.0623202,22949114.20375956,160996381.4453477,110250731.9798478,106452586.5758972,23514708.70744475,409796705.766384,234606817.0754496,152087658.8542958,114630448.2140835,82941880.49383566,37533635.90831567,55673933.8687584,129988402.7645894,47527601.60501456,142335328.2227374,45428316.09537879,45644646.62557633,248248635.2687864,160396141.0124014,119337276.5526687,59584681.01478069,72922272.59308732,47806719.48940857,76271506.17810555,27274261.59378162,45917370.22664897,116747688.0239318,138913110.4078766,31641045.70107761,29683009.6697065,33599201.1927673,36895683.54853293,84650576.40726297,34544618.17857476,35871878.48468667,104913434.3848926,85976403.1495069,78613116.1210918,71486822.61588682,86625240.94216146,88523401.94391204,117204677.288974,95216476.08877528,91755637.68277504,105434845.6174981,94589025.53939578,90275622.56011207,90045501.54089299,96025047.64594094]
["Com_366_neg","Sulfoacetic acid","Sulfoacetate; Sulfoacetic acid","C2 H4 O5 S",139.97742,2.817,138.97014,"cpd:C14179","map00430  Taurine and hypotaurine metabolism","HMDB0258590","--","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","Organosulfonic acids",11576771.38628049,10425637.78357518,106948673.059624,15813888.07237209,5482021.748175162,13962916.54089974,6639282.966927487,3098932.461075554,156528265.149816,551196260.7484652,236927812.7142652,16588853.45765112,3560340.169398485,7185315.835619672,3971874.417023742,85641449.58661237,17227254.21982338,4695284.617251161,9105601.818136562,17957078.15825186,17493877.91673602,30332356.21656832,28895517.9921969,17293741.85994555,48587558.1408361,9389791.731348189,22209544.42258443,30211882.15964596,28762188.44972801,26005436.53015487,27633949.51054385,19027523.38141961,4005253.876651819,3575121.099868952,30338794.42026576,10139354.26476246,18400972.24413311,9623845.547927288,4426998.798537994,25556645.10360162,10760421.5939777,8582106.007602736,4298211.260174766,10120482.92142959,70957665.92791279,2867655.046226181,10873277.12010881,8367188.457679564,3097472.04850834,5575339.744850148,7483415.123070856,4233953.123745494,11398111.32727793,5057387.082007411,2667867.701737656,9247238.908969777,4491972.843861517,7839854.238162937,5236477.05670509,8284826.884998704,16996474.04198173,16865106.17171357,16428329.37652571,14535245.06270491,14231417.94099804,14058415.43335089,14488584.1045895,18042814.49544128,20431828.99438433,16550590.01021326,20333735.60602226]
["Com_371_neg","N1-[4-(cyanomethyl)phenyl]-4-chlorobenzamide","--","C15 H11 Cl N2 O",270.0524,6.006,269.04514,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},2328095.215498138,246089.1728096577,372996.24337724,290110.9784856581,215517.0657581276,490190.1420205808,221532.1310488655,284269.9420408601,163885.3901193334,10512968.15330515,882349.2102095087,977213.1419726931,196263.9995804332,650371.5312233851,1084437.994843856,1217780.691457167,514846.298312288,369942.6165601129,2235382.28532809,407869566.2435546,269728170.8299097,226235376.2338504,49942057.69056062,293670447.7410014,91832609.54651524,253794.6136150662,17098942.28609039,663416655.1020257,406048313.3923699,238149568.5746692,194076439.4936811,77822089.52573152,8268147.581101128,11254784.77338252,282734105.2233851,24834635.65534988,425469230.3149496,26986047.47063637,11363732.27143236,256361806.9354783,787415.6883097155,167306.4144577998,129096.4370650952,405020.1608575862,394390.1894948501,227229.3650731556,138303.3370655078,972696.6672381712,826260.8093510956,1311459.568705371,858850.1761053136,107683.0915585458,264703.8181229536,151457.7375406803,826609.3512321111,221997.8107867037,93616.63183199705,1248426.464267147,64163103.681203,62526013.67145486,67656778.46799715,64963412.76717237,66107822.00974177,53603741.53784797,50538933.24174522,53388897.38328503,45846428.41677805,54942345.86149664,42904384.51757832,66058218.77844712,56106637.70700119]
["Com_374_neg","4-benzyl-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione","--","C15 H12 Cl N3 S",301.0463,1.57,300.03909,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},31874821.81027094,36990390.93241139,64653586.89163025,42905866.23314102,115914997.4344428,3638870.619521078,34748394.0004916,26536054.83725465,107627391.9496954,52431256.18073243,16851759.61209987,91396391.22956748,33349805.44973672,126709354.4607713,134196869.690707,69122336.74533166,58890841.45323241,125135916.1506212,45265610.50656478,102880942.2242418,110599331.9788201,160958876.0163324,275368026.0427243,111245099.1507511,54655165.30021744,78772095.01097773,257035061.8577724,261912995.1743613,101802806.1838098,122122923.5381292,206806694.3767725,25256927.43221316,108828981.741725,55755433.82670922,204935174.0117613,78447073.28456855,347196270.4833022,175291842.2527643,83529686.6220557,695493138.3718635,12245921.91882196,33389259.5336516,22072278.2444759,33897847.88155194,48064104.33585296,45757575.06035056,33388820.2793161,102781730.3415787,18892177.12043043,26913793.65740269,83509332.05553675,82618650.41966622,55455894.69041478,53279478.43348435,17571561.03514138,44330285.47602646,64497139.16318782,18062664.64205188,66411708.9059266,53173211.63885239,49812126.43569928,58710089.64618045,39418740.44839315,35897832.91240635,35053483.63464893,34207340.66535631,35990363.49580111,39283367.10615762,39249261.17294898,40270870.77002025,46585873.9885779]
["Com_381_neg","3-Phenyllactic acid","--","C9 H10 O3",166.06241,5.699,165.05513,"--","--","HMDB0000779","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",10530024.2002898,26319351.5977611,32651640.51317606,34629250.84602571,8989371.103161752,16155558.77427611,33580096.6295182,4491157.403198839,29016961.85079296,388706096.7689679,84083513.85165943,171028876.7021056,5464682.807584102,3575665.454522361,3555659.775056584,14110019.864871,66967264.58114818,71988355.52042794,95215373.13542604,94066589.14892696,61998565.99000203,125122069.5322456,11875000.86782603,137118062.7842045,42711407.51167914,451090390.443832,9030813.333503244,111864477.3313519,145181664.179666,133409339.8163683,436808101.671517,92045212.9214027,18763371.39749352,17393640.71705205,44327718.59775149,27069996.3176649,61011676.64169934,36413760.57410081,34269335.24376123,250942969.2452524,88042614.63301735,61370901.33676978,7002667.54174227,59677177.66621328,27471841.75245948,16471097.0982559,12569722.49949246,8092935.020852695,8599366.973734988,78990956.55308813,31652907.80503834,6133199.754066493,62954574.59758437,7851977.419778231,5324325.475120412,23230056.22522208,25568920.43510262,3478301.9335434,31317829.5462159,31569542.70603508,29264141.65518921,31961352.64918042,26933609.49677519,27660020.41959996,27665953.02997992,26957183.3754929,30559057.23153621,30887124.7078855,28563799.10082754,33506316.56886227,26994162.66898501]
["Com_394_neg","2,3-dinor Prostaglandin E1","--","C18 H30 O5",308.19813,7.737,307.19092,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2950352.789735154,2896427.980612917,82632557.98275284,15570907.10156361,5384384.902484579,144731415.4617203,7339068.689383896,785228.5237004382,21210438.9504288,61555995.57730885,244326576.3636093,602548773.7893724,3968290.887636958,1968407.479599568,884939.695933752,538967.5353944297,179555799.9560888,11337952.73715232,29785953.41881337,2475569.296907856,1234425.891342995,1141164.345813671,2976305.917840102,1049183.409560007,909326.2815602624,431833346.9623876,4133127.682556807,1087558.635024146,785454.9514555685,627231.4350095331,753726.9666552411,2513161.787994847,8223803.449241056,1833600.312730323,767185.9746134728,799704.737140845,226177.3659924708,15987391.85478937,3444129.257650274,1156859.586551599,358160986.9426618,66752500.337078,5068014.218520804,29006796.88955494,33270459.85528605,1719740.416263728,2802865.619222217,770112.5973344595,1324289.491750688,7095336.175880722,7246551.975417159,1057537.133122006,4191826.694401861,373348.1299898825,1305309.599576158,8260442.743783425,4841417.705124785,1210727.839427045,28892616.2317271,28918818.13356718,24679550.60677164,26621613.9159974,26705436.64082994,25426172.14633056,22722835.7738286,22729979.71560344,18410720.27556508,22577862.14260703,17160539.86864166,27320129.17728528,23433628.88796742]
["Com_395_neg","5-amino-1-phenyl-1H-pyrazole-4-carbonitrile","--","C10 H8 N4",184.07295,5.728,183.06581,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},125338435.4222943,102280110.6911457,79134402.93471678,85538467.62170382,93663393.89315176,58527977.54238953,116487946.5294713,108303127.8707698,98961671.79800628,130787724.2346704,123669403.1967982,204418025.7349899,87204480.15013933,101308138.5740497,86966789.20914346,71385212.5250582,94296020.32343552,159787576.962375,160399722.106976,138338712.7286688,113218673.031201,138823539.295023,58500187.3439716,170795672.3546748,85416781.73465985,430587777.6749526,68058957.06844942,127769215.4858056,169046005.941348,178091525.9448875,487275428.2706671,155429636.540371,90420379.91817535,145851984.3948248,89224380.88278289,129717119.2351875,76887141.0860692,103002394.933625,139482239.5708033,263745220.5710372,107555372.0870645,111421848.4246067,114394791.8539423,155543071.8551903,131893987.3267244,137650058.1271355,127633751.9445537,98125432.39010502,103708695.2450488,206411329.3514464,138374767.567242,79202982.83439353,115702129.7585241,175634309.0362843,137218528.0874649,143598665.4223342,152521701.1147924,88634280.64336452,34556185.4159293,35246644.46527392,33876810.13426547,35827742.47636387,30794130.66194142,31385692.93452217,30986507.94308088,30604345.3905312,34897445.88619679,35735236.32376333,32788837.53545798,38480118.37550476,32364347.17863714]
["Com_396_neg","Phenylacetaldehyde","Phenylacetaldehyde; alpha-Tolualdehyde","C8 H8 O",120.05691,5.712,119.04972,"cpd:C00601","map00360  Phenylalanine metabolism;map01100  Metabolic pathways","HMDB0006236","--","Benzenoids","Benzene and substituted derivatives","Phenylacetaldehydes","--","--","--","No results","Invalid mass","No results","Benzenoids","Benzene and substituted derivatives","Phenylacetaldehydes","Phenylacetaldehydes",9723521.2039944,22519787.80573419,16011028.3460018,24033276.50472911,7583112.060691903,9684901.380030427,30427634.0277094,3564753.276090704,23698436.57974852,92076184.44852889,70770235.90540658,160838739.1793844,5135396.111640295,2935573.11274376,2802618.311292203,10631718.27209743,61768742.75084125,68552058.87600149,90815405.42674436,89556768.92357884,58196089.12909108,101765845.3154446,10618786.30808102,129536329.7884543,40287996.95683312,429981694.3505231,7884161.542716239,105985220.6727955,138917790.9251666,128110985.9873782,421293964.4030621,87665186.35368043,17802903.16186594,16517223.42927794,34652366.95135605,25739559.22639111,52743737.60442887,34578794.55794652,32150307.42120494,235477626.1527485,77270223.57785958,56950138.30811052,5687993.724564007,50815647.589978,24585828.16505112,15783412.81549766,8668485.817106398,7735795.517514146,7907704.190776337,75605566.93040846,30775268.27114585,5644671.684249855,55402378.43933727,7250682.224797828,3954750.47526644,22165308.63698716,23152513.75198563,3809325.102817999,29273139.6312141,29743049.49158143,27317107.79666061,30092015.54577909,25152057.76889054,25759222.98353356,25496793.91124029,25332544.26208137,28806670.64543106,29132022.77196674,26947939.34437076,31386821.98795338,25459922.50049928]
["Com_401_neg","3-[(methoxycarbonyl)amino]-2,2,3-trimethylbutanoic acid","--","C9 H17 N O4",203.11521,5.741,202.10794,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},58299579.15424812,63419755.62337452,18918874.95329442,17709350.58723392,89163554.17378332,2099182.951750783,39846191.22711316,97661972.55476458,53702662.76310949,21360110.4325013,15515530.76461717,8411869.882973636,95605621.5965915,288633050.3418579,230604230.7753339,34489299.47190196,6576837.294581819,80326934.62321009,65845148.51832569,52737744.2984955,37973825.08116388,27114136.38680488,469061516.1630365,33701848.9309462,143695204.9483523,32147213.28341915,247211057.912173,6634977.029819995,19778652.41029716,52502514.69703736,72259489.19363661,92293128.29383136,208327145.0140842,178096083.8849603,10146479.60186305,176796766.2991094,32667363.44860748,200489415.9642112,172748989.1139373,12986842.32990256,2388625.468906914,41154980.78625722,67254028.86809058,13585340.31771652,54428593.75600623,89802490.4828596,32812680.40255398,134178647.3156277,86564381.0842681,48516752.89817062,177246555.5591331,138616213.6139799,96746278.98982207,382998712.2106653,76627355.53956121,230938909.1965041,154216890.153677,31677635.20497522,49531011.7816256,53429602.1342613,47915523.04064187,49304523.17850338,39312177.2196384,42675333.87394635,37839349.05304719,44289135.09139248,47304542.76535612,46149205.44008752,44346537.84012703,50605521.37777785,44622435.5017926]
["Com_429_neg","3-Hydroxy-3-methylglutaric acid","--","C6 H10 O5",162.05218,2.935,161.04491,"--","--","HMDB0000355","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",52801797.73773275,33496103.21490248,25961001.89086054,25549774.36701444,27369968.08693912,16662420.43746618,34715673.67733609,31272171.088767,30122667.82774155,22825164.93831999,22058767.41926297,29506806.41910514,25451128.61041647,60507858.36625022,58731745.70446438,41390079.39400542,28939039.53535321,19290373.72039645,18843252.42440667,87927440.22469753,97602947.32480356,198238418.8045976,40880593.92257669,155420067.8436718,33179302.70367912,26042488.3097198,44037708.38915842,221897298.3494238,146337390.3405271,140430461.4429379,119001096.8402647,85096550.59037094,78574175.98666406,51541043.96989226,60656668.06261086,37423838.61942335,100693280.6008761,62685992.69705912,47686322.01124422,272064336.3042309,29255130.97142627,24311128.01622724,29062986.8262904,22741558.67793622,37976948.73480708,26616154.52325404,33014119.2239164,41502568.67012069,23931768.20803227,33373721.27620103,31835939.02786981,56520791.13315119,34667213.17166208,37784013.84605301,18813274.27562658,30483963.01003631,36186106.22414025,18592053.73722764,75070262.8485941,83030633.68252064,80946267.38309102,79386726.84744464,82224438.38718486,81578579.52522878,86481028.81855582,76285864.79357067,74057380.71488065,73561074.00069773,70838900.25889848,84867481.56666657,83015933.71562321]
["Com_441_neg","FAHFA (18:2/18:1)","--","C36 H64 O4",560.4788,10.225,559.47107,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",378614590.2559117,273522161.3892739,339688964.3154005,47922384.89557525,466936176.4763622,89365500.7248881,290513703.9324285,64400535.45948488,284873865.6862841,32446436.88904902,117344116.400806,180455193.2525916,82112229.23232178,228714951.0309041,293089254.2714705,252245848.0769016,213372453.8478286,297577871.5599464,325532282.251519,387356724.0312584,101336709.6706407,53576246.55984243,243159750.1038212,262840195.169811,445375638.9753546,116954342.5696295,290966520.6480861,19410387.69190416,92819493.33497553,165797415.4354991,185777704.0463866,305193366.7355741,153432857.6803963,293980371.755211,165307013.5654759,361975625.3753572,3396448.649695826,189275713.2367453,243870278.2551885,8227029.418639456,27009180.0921711,227341554.1790464,165057656.1137185,403089939.7673966,427693442.4930192,413278009.6221941,271659351.7297595,226466833.1455353,300729240.4997978,657562664.9903919,408835548.8533916,153952402.0909722,225938766.8430762,168561601.1686887,361094440.2135997,296681177.599829,467211274.0382669,172995454.4747803,185114299.819022,69324361.68931566,180912359.2940242,177826124.6343381,163177966.6431963,133936992.5465113,150735377.915552,153828620.8707375,158218747.381826,151166841.6834873,146227699.2368938,133710240.366373,131375975.2481641]
["Com_481_neg","trans-Petroselinic Acid","--","C18 H34 O2",282.25508,10.88,281.2478,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",259366534.945515,355813337.9369122,412596992.3968935,45231917.0485895,463092740.2095797,80401989.73317125,322509290.2465555,207928001.3927257,184536848.399184,230972451.128111,100525151.6653022,187008894.9077683,309218112.8906128,197096854.698392,211526657.052472,170330020.8271254,170009768.7047409,233099442.0553866,354709836.8612308,298418377.7129339,38036008.47744362,70668212.77730893,97916942.78045304,155671846.6322054,435345795.9520547,84892973.7859143,171137236.0493195,719848.4693718815,60444863.42118806,114471353.8256565,71206513.39020814,202442332.5173063,155605127.7825883,410408758.7892147,110618304.8265048,312826781.3921338,10581717.55903863,139518925.4668453,219907716.3612252,17142937.47048984,36152795.41939709,116472254.2744398,275540669.7955809,233740080.8971038,469883705.4906328,270747269.3912664,357396380.1579996,163749149.0039081,227178526.2874199,488434668.9243519,267584228.2053339,165231547.2406216,300564854.9384173,114978058.0005047,232371356.7484505,251550263.2441897,352840401.9205319,164879216.6762799,143876152.457474,142088771.0791448,177804074.7920228,136409950.3777861,209879863.4408801,114354908.6030013,99588651.7385571,138277566.5493865,134289011.1983133,97367071.2207962,100524503.2970723,163388824.8464002,158875752.3136159]
["Com_482_neg","Pseudouridine","Pseudouridine","C9 H12 N2 O6",244.06887,1.455,243.06137,"cpd:C02067","map00240  Pyrimidine metabolism","HMDB0000767","--","Nucleosides, nucleotides, and analogues","Nucleoside and nucleotide analogues","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Nucleoside and nucleotide analogues","Not available","Nucleoside and nucleotide analogues",92882590.58573292,75365284.1288168,110647911.1104373,253812982.7312651,192935270.9301098,226655562.4189189,127625152.6067013,108638256.132488,139208377.4296013,86320413.01933077,266051909.1292724,173077510.0635996,244952777.7524701,115842659.6385243,149778921.2978237,132865679.4929697,80133230.72342603,113910355.6413324,138220557.0124168,158959299.3857197,77615139.17734964,90799761.2433344,64808880.36468945,134977587.8186391,128767829.1182613,148060007.963502,70706890.48796676,33589205.41017426,109723734.490033,86298795.71433343,175226686.7092542,93566105.81003444,75312592.23261297,104878952.1975296,238909336.0752902,128739386.9443482,137978882.8384983,102564674.5877085,103977703.3313039,15729795.9503886,127239118.0760572,79395917.14449072,119594557.0685883,83041384.98456131,130316887.7419725,113045985.434262,190335661.4627393,76722625.43944736,61830070.85201176,48145268.99027949,79460280.48362783,143081369.4829677,147640430.7989819,125866006.3904746,37134448.47215551,133752590.3099691,104170966.8713212,56733709.80945936,151511553.028884,130789846.8453838,126228223.735521,107373688.2041004,114163082.0028352,136367528.7329422,115406601.0892144,95030615.4574968,106452026.500895,139651108.635083,133136836.4040154,126144599.0205061,124534341.4358761]
["Com_484_neg","N-Acetyl-α-D-glucosamine 1-phosphate","N-Acetyl-alpha-D-glucosamine 1-phosphate","C8 H16 N O9 P",301.05525,1.406,300.04785,"cpd:C04501","map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways","--","--","--","--","--","--","--","--","No results","Full match","Full match",{"$nulls":4},108087468.3340879,50110420.16390864,27379045.9660189,1197364.166512418,7251515.725382687,1180120.921856392,69339235.75443643,16505361.19583511,4797151.992321441,1927863.101839454,819763.4386298335,491226.2178099505,11727110.59869632,9405310.806150494,13352627.9586597,5675932.980876017,1006388.050015816,4600831.743615799,5182783.680046207,396780.6685650791,530816.8113631578,421290.1237371398,1808448.801679905,420431.8512873741,715473.4642144967,1647961.119783638,4479298.741313334,366505.8361941238,423883.3291840788,873856.4706138341,478544.5669746629,474868.9222857717,6683331.48316474,17701225.05730982,734864.1373506814,7119604.49458997,770341.652628228,4262284.752688763,7983365.616920264,366114.6151792268,788608.9918840186,935588.5168541964,6939110.837187354,2520009.776120485,4729151.950662609,10911904.3794396,5499887.726151684,17759018.17710746,77386260.86206341,680790.877836053,8270568.933181756,9777080.782626322,9163523.103255084,13373777.94273013,58217019.37616301,6429573.988788985,13438159.82968281,253378241.4390539,15580599.6588883,18551027.53297938,18115298.77823373,21034534.56767718,15533165.33793588,14062458.72323137,14036073.47167151,13573270.69521417,14968636.68767215,16595956.57816825,15841750.01945331,16307128.0697934,15473194.03415443]
["Com_487_neg","FAHFA (20:4/20:3)","--","C40 H64 O4",608.47906,10.136,607.47168,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",115239378.2124633,187485032.8370961,18677601.43777688,100650301.886079,234203925.751505,17667107.50197392,72486693.87085323,47411073.85329428,203531009.101885,8532111.145298608,59986181.74476226,43936193.35036382,11499716.9407328,265347371.2668637,206714552.8089558,109880557.3419459,83465082.4422967,101700326.3482788,180478950.5432723,187240674.4985086,149586111.8903861,54269864.58484723,372664994.1731192,48757369.02624061,142917740.6025378,85879006.69408923,359535291.3736045,19416874.37287137,84797802.96761218,238408693.3911775,109261109.8969666,211646175.9827745,125285825.6791173,88255251.14931855,46215679.62805862,239555757.3090955,24655382.986866,196711213.3988962,202866080.3225572,15688988.5863168,24936152.79749088,85533027.92409603,66603401.69684701,118895811.457138,102124081.3740591,310127376.4054499,163564512.9735332,183676848.1132969,253805781.3104234,252100781.8397115,299070582.4326624,218158391.2387079,138795486.3321708,367853229.3352415,384602546.8425337,298605534.12636,351410324.2546836,211821259.6992339,61061549.4744007,58691656.78557005,144389115.3434523,151610766.043804,119875495.3009716,127349445.3929543,117455353.0372867,115112251.2684689,99685633.281014,98361430.83048238,101104194.5098973,123700533.4423615,112850694.8624684]
["Com_524_neg","N-Glycolylneuraminic acid","--","C11 H19 N O10",325.10022,1.536,324.09296,"--","--","HMDB0000833","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results",{"$nulls":4},89751066.84481797,190962566.0139738,151304440.1694254,395264492.0228815,49501381.98420338,258776185.7976767,128526853.9636481,74598728.93133849,147463902.1565776,170607356.7316737,184418024.3905505,263886893.1813996,34129924.04788745,37451188.12680582,41943035.63863711,143729808.3655611,210507592.39148,103268075.4465586,195536719.0620676,243805701.7756154,177922748.6024765,372073931.5207293,75503635.43707313,194903770.3743561,67278854.92345978,148567112.9300825,92204490.68121836,96170685.96328384,139314766.4407888,141614961.3402475,299621085.631629,120674498.3778528,88850250.14518985,72897906.94995378,136769830.25169,77756997.79697306,189365792.1031643,72593740.22477154,103936614.0704336,56188284.10910358,203872639.2751365,176891259.748678,64611173.88262433,286262947.0166788,126805899.2195807,99595423.959022,111970241.4653311,99865343.9597851,78106508.45702675,172630883.7866782,54334517.39072818,47615085.87584191,110941606.3281591,48358233.06393327,85338073.94217724,79199130.10985067,94057661.59946616,122407491.7857703,68728550.4582469,66274861.11459997,66994107.24450978,63786995.16874583,60403716.51782489,72268147.64128241,67598138.00333463,86598102.28161499,65226582.22417183,67594781.86804481,63089052.08881257,71434807.8780028,81431248.58396792]
["Com_537_neg","cis-4-Hydroxy-D-proline","cis-4-Hydroxy-D-proline","C5 H9 N O3",131.05782,1.339,130.0506,"cpd:C03440","map00330  Arginine and proline metabolism","HMDB0060460","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",7399118.33640454,11067351.91289359,8380412.598162755,3050119.255769487,13065885.81237979,2976808.609756345,11612198.49973319,11038059.45220172,4966937.618970932,7414038.802754506,6628730.575739093,5744791.288656761,11225694.39522712,6870508.65904404,12976466.07500624,3841731.671789516,2047170.456970756,5031665.685618938,4916064.992300249,16176551.04318243,19683024.16306509,79623983.49046981,4052599.594590546,78917429.45185119,5571659.013891452,3600518.537710516,3536839.34819879,119006468.7180029,53550727.25003167,37158958.61228251,13693162.74006088,14908502.32001249,5654655.934999633,5703144.518405883,27201881.64175804,9135638.686984252,20040957.89055465,6844004.162660704,7386237.445736849,435955573.8000662,4094302.044734329,3667408.395552432,12200902.65262994,7363219.06011228,8656495.6794644,10564432.78872299,4022137.933604395,4107972.782925324,6931567.358254381,6475649.876670125,6887897.917738634,4301323.442745249,5568722.764839197,5098919.103639744,7388551.375840212,6436402.908636577,9570333.389627503,8657895.640973097,3786530.94499225,4576220.57789123,4075007.303521901,4845875.002937107,5911324.900050984,5855341.170550598,5978118.508340492,6256866.663335421,5039255.990329964,4696400.017246412,6477694.685327617,5431450.518939133,4463758.906864543]
["Com_544_neg","2-Hydroxy-4-methylthiobutanoic acid","--","C5 H10 O3 S",150.03461,5.282,149.02737,"--","--","HMDB0037115","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Thia fatty acids",1365306.285504458,18009574.51911145,11805590.24306928,13901719.77866446,1371047.689096071,7950402.435488843,11891884.77680003,318677.8315065967,7216327.254869418,10836190.34411292,63152014.71386522,142382829.9562826,120439.9953402246,396161.9482568765,339631.9425933278,1660027.035235799,21771027.17457116,20356932.13978868,44838015.97989902,12445278.51055698,22089711.95851779,15632780.15093991,783514.6038436919,19079426.52058628,3193289.850036559,288960157.52525,753758.6288789889,20450295.52996609,39585786.22244699,25366812.9389197,18065100.64016389,7565887.511064786,2251933.286333874,1139344.444635384,10710635.67739489,2254309.596718184,22030851.26695751,3644003.837992138,2353424.694425578,50232418.3961437,59181541.45913451,38092322.81810615,858850.8433372574,35757174.334001,4345151.105296982,3283777.208288706,862168.7133015384,464727.2981549952,682296.3220054187,23167904.64104209,8516116.156890402,612820.772827999,16837057.02763547,980322.386423068,528271.794353847,3042462.087149004,4848181.063377877,1360424.622676348,12525826.9507162,11592127.8593343,12586792.60491246,12308671.91994509,11309534.78862768,11659304.61241982,10501022.84933398,11585462.0589658,11419239.44845673,11616107.87151751,11720642.71098308,10915272.75677859,12019053.51008338]
["Com_549_neg","N-Acetylalanine","--","C5 H9 N O3",131.0579,2.567,130.05067,"--","--","HMDB0255053","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",175549714.4610555,123390075.019119,75087734.37441303,169950199.1728575,147301077.3547485,41306714.8072389,131196949.227583,92900101.24302648,149349184.7504002,91289850.3191072,107886699.028095,84904044.62151536,201577903.1474177,265131383.7689673,154108127.2432818,111169988.381914,54068090.93677937,137068120.6932281,116627225.1371164,204078168.9713208,147236158.4488977,113389888.3786923,315082359.2083387,44187571.1570824,162043833.0657984,131392896.299201,308724333.0734515,83760197.48478831,103265361.1398293,135244018.7253542,135263311.9588281,180453211.6985785,181620165.0184936,107917593.5628816,84669563.34063868,130661068.3623626,129907081.0927415,201426314.3445386,155728366.1962181,172913347.1702014,58683295.31226406,145242861.0563324,218920705.0903344,82823700.40654165,116607140.35463,111446040.8126035,73630627.58608218,158356402.3463275,121312339.1142409,99178483.80629228,168710072.3670561,153401235.0308845,191452973.1611484,230453820.0438779,78460177.39905491,204912566.6228071,141185880.0698764,69584782.33588302,61135977.8162723,60679008.56044988,71823081.19590469,70099895.92057508,67441485.33808497,73625991.27683726,63954023.26283869,62564386.92261381,69380050.77079496,69269044.80150612,67463583.74666265,66105549.51483099,67988723.87923193]
["Com_562_neg","1,3-Dimethyluracil","--","C6 H8 N2 O2",140.05806,1.428,139.05083,"--","--","HMDB0002144","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",3089018.836863314,17927844.87042074,46557728.40926172,8711544.869753692,2468643.87848144,16706436.36169609,7954517.29854598,2056928.627558182,6617540.433802911,30075404.60317789,76902921.84481287,109828682.6771658,2084444.960206715,2002971.285624288,2599614.406493044,14481406.5873355,29545238.44954981,5164836.127628479,11145988.48661728,51224732.70737644,111934494.7470501,100857824.6095062,4031922.506814113,225375178.3313088,8749238.52917015,68688295.55156788,3751918.886155656,71107165.460976,64584343.73180026,56083840.53838713,68697390.50114374,27215149.46365493,4248681.310590627,5805285.681603447,251500523.219843,13913347.22842392,361422016.7496725,20001882.85123482,9578682.35080075,150176879.1406867,82538546.12328883,24412608.24627497,3310352.484676666,30777009.08772487,8940724.326165764,3158330.770101704,5657609.793549199,2150580.774635645,3638386.240228814,18671948.08617635,3362825.038095997,1636122.857576341,4295576.794063614,2078777.605733529,7015064.862859328,3340981.770347308,3321682.37503749,3224840.8372495,8243621.79511442,8912486.085018016,7366053.618184598,8687142.866055036,8603532.445436733,8570381.74606983,8251441.218526158,7867770.251814646,7953443.153896661,8735256.604621151,7634740.343691098,7813396.413176635,8252025.911617702]
["Com_566_neg","N-Acetyl-D-galactosamine 4-sulfate","--","C8 H15 N O9 S",301.04609,1.819,300.03876,"--","--","HMDB0000781","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Acylaminosugars",28378426.64906163,41566557.68105454,57513764.06835933,45622585.47306987,27942847.5180692,4425754.19289319,45545411.68800999,21696792.41452388,42328418.20589743,52796465.18439026,12234496.86807771,109481757.1837043,15105426.01267793,25724184.24655852,27218190.82032869,38557251.609912,28478831.57883982,35152183.26015433,22208249.12337988,97250308.49154668,133061225.1503659,108503839.2644514,42726479.23510587,188592197.9360029,60306639.48841272,109270840.8422881,41698357.87161125,153972295.0595163,100070513.9939371,109725378.2815403,197113871.1664348,184155465.5185035,46540181.45484117,40075995.42756654,286249118.1340769,46460917.32254641,195970900.6826514,46050532.39927328,40979981.28738233,409112879.6876759,14377460.11390982,20906489.24749235,17787838.14693312,45550388.60570008,38693707.8204035,22753408.52533538,25218062.41295321,36736151.1197751,24108890.68935169,36736752.03658782,42494495.89533399,21413031.49538863,35073172.3908618,25526675.35983167,24826340.40528759,24045128.3943413,26870200.19229101,21121949.86357332,42174432.9276311,33373916.87714282,35808906.43448856,39965714.12680589,33708677.19636144,37134665.69004919,34433470.93680239,41653636.59039755,38480797.56489288,38735783.86404042,38228738.69492356,34113415.59706625,42075042.73414829]
["Com_568_neg","Methyl-beta-galactopyranoside","--","C7 H14 O6",194.07847,1.439,175.06079,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",8898078.08994731,6173166.18160951,29416376.19236962,24635260.27964171,13640691.35251627,30583692.46002455,10295145.68242513,6135207.3528131,18870219.61671231,12597644.60903507,29967899.92851806,48087999.96053395,4641492.443182272,5297310.274755423,7451759.349491255,10497305.73052858,36569699.33395259,26573245.89964923,15313511.84640311,146709897.597761,267251804.7827424,166172382.7853079,15468089.52194305,206887710.3602281,74704048.78120135,51546584.11095627,26304920.95694026,384826028.0145363,343701329.7111419,135956507.4270869,110408747.7121655,46115446.2813673,19029747.95220198,9828226.331344292,71898709.26587158,14657086.83068801,102372301.3444452,27629732.07345249,18487641.57095902,174186026.8748853,60300329.76571484,21483369.46266108,9571799.565916687,33317716.55950948,13908923.68488802,5950096.66563366,12924569.43028203,11442504.78945262,4215786.047554387,6407216.978817416,10226223.28502449,9011033.621877749,16078716.17411436,8031213.869452035,3338849.893449083,9606977.539412417,23073307.18005019,3162030.400000656,20119031.6995297,22659438.76438829,22375599.59148395,21283180.70337717,20839694.40917691,19929813.43240982,15966434.41197591,22722650.67256794,18072739.96945956,19971272.58061052,20749178.18214586,18477080.53268659,18670478.00942435]
["Com_579_neg","3-(2-thienyl)-1,2,4-oxadiazole-5-carbohydrazide","--","C7 H6 N4 O2 S",210.01927,1.876,209.01199,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2858422.789030528,11947831.61181618,85545789.81010038,26610226.45129007,6167297.992306639,55363085.98134784,25558919.72588475,2703575.280334888,38038103.67475939,65606411.67678665,76112761.25971746,222507695.808327,2563261.517107218,2876506.591902777,2944720.231233072,9966446.955421217,42123371.94854024,36395348.65257056,46585865.96574443,74742209.03379494,63416247.87771288,101394427.3725627,15506413.64899621,59007890.91434392,49343003.02755287,94584362.49232905,22184830.005885,132244075.4645715,86689201.7978897,62741026.10405549,125791577.5744148,103205565.3727941,15263673.23583535,8736651.670889484,48205517.16213337,23514434.10394266,49978788.89720716,159828503.44649,4439948.657009414,400061564.7120785,210676587.333336,42814942.33638232,6954618.086423219,57387358.93877723,4544861.516705043,3256325.280508983,3208236.690250991,2958377.400134485,4505049.890950439,9587783.555541145,7475894.019713526,2109899.876694931,17938932.7975826,2478507.811506682,2850722.549144681,3016997.788312185,13635293.31075237,3386830.053468065,24240204.0148676,24567915.99606008,28937961.65843859,27246931.30604226,24064196.0017253,24595356.1801632,23559416.1050014,28312266.55454369,26428304.2755475,23415182.71031364,26584174.36692184,28555172.41080365,23764561.50611955]
["Com_585_neg","Reduced glutathione","Glutathione; 5-L-Glutamyl-L-cysteinylglycine; N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine; gamma-L-Glutamyl-L-cysteinyl-glycine; GSH; Reduced glutathione","C10 H17 N3 O6 S",307.08293,2.329,306.07565,"cpd:C00051","map00270  Cysteine and methionine metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04216  Ferroptosis;map04918  Thyroid hormone synthesis;map04976  Bile secretion","HMDB0000125","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",9559434.92504123,4325144.101327725,1540417.122736379,1733111.346129041,4828824.590058506,991360.9483096112,1023105.596588799,11106429.20720572,1518034.448278879,1742492.7661242,1477853.107463044,1477086.826873427,1778294.788882763,2574674.030509814,3112018.970032427,3782010.415817537,1036527.552419353,1690782.202303489,1082760.899481898,1352144.534988587,1309012.694576715,667751.8336524102,1918477.472054468,799327.7226399862,946544.634275267,648012.2625291552,3837760.151913956,724269.3004842405,794262.2279398848,974959.535872144,1467362.693371379,2413394.284638669,4692309.172151872,1540774.206222237,1053824.933099273,2577765.37097636,864161.9278743453,1700984.743526009,3224957.948964232,571310.5530524238,2375771.522041685,1839466.894018788,7444892.001047112,2016752.543456616,4764140.873453157,6402582.743487095,6815631.537072139,4483397.2694521,7250087.03967782,4455434.191723268,4744385.548083804,6184778.884655881,1407781.130956184,5683813.599193618,5641269.918778527,4822143.521687127,4639765.551112047,19607354.97300781,8760968.35774438,7888584.99870873,9091661.493112613,11055432.13551655,12875769.50298925,10360126.12307514,11492331.87827173,10912033.43199932,10299825.85117582,10624641.13444166,10124332.0262064,9856120.658482663,10764737.2137786]
["Com_597_neg","Maleic acid","Maleic acid; Maleate; cis-Butenedioic acid","C4 H4 O4",116.01062,1.465,115.0033,"cpd:C01384","map00350  Tyrosine metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism","HMDB0000176","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",69489599.96749261,51587924.64605536,37323684.10696299,64225473.06021559,120257586.2723142,7247430.517375993,142180584.5870578,105110726.4612971,160216939.0421529,75183148.3359927,13114246.39800366,11084005.2711428,138571198.9883835,213290557.0832746,165887244.9792725,130546318.7970693,62100036.71365167,87637667.08316202,92702833.8198098,134758285.8648786,60503554.26311874,28542744.03388958,289164422.1800631,50909457.07872276,272392560.803085,31174556.77953587,269594319.5152926,9902600.130366512,64838023.98364791,208911332.0366068,121960294.2689901,139384260.0406724,153666243.5937252,96424906.38848144,82321100.13442796,105719951.4450637,52172740.16392142,144447448.4369167,128937342.5233484,10877376.35451056,9517377.861386465,52708557.08548677,82570609.59883285,57428213.26509494,98912661.2181174,99229967.5422334,71958205.91940197,134471887.932864,60658100.59211608,66050850.99723421,90940215.09341525,147109792.738182,191308089.9120132,175965158.675847,66754224.63153936,160344870.0801746,141811927.8542338,42905647.9953147,106086494.762729,127445709.427535,108672971.5359741,98525584.8683014,79159324.63852121,73116583.95763417,63826173.02528442,68084047.96138468,71999294.77886331,108847963.6048315,82976661.437047,107432159.8940917,110200754.6828658]
["Com_607_neg","Dodecanedioic acid","Dodecanedioic acid","C12 H22 O4",230.15115,6.51,229.14384,"cpd:C02678","--","HMDB0000623","LMFA01170009","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",2478121.694469316,21151212.26657443,66569937.04901719,39710506.8564426,25453790.46089644,53265290.92612843,25999087.61430763,1200256.049090772,26815717.54850907,132162943.6582906,61291227.30850837,361355608.2976552,2068795.261322259,1378439.989142458,522856.4486197064,4092952.13560704,98050690.2222266,35627836.640445,25374348.31777122,14291164.0951697,2901129.222126749,1370637.684058592,1241240.978120791,21803004.94329185,3664312.62657304,169889964.6649618,2231783.243732893,1704663.211665174,7347685.908556439,11627897.72513142,14369033.65488725,10343915.89850028,1961637.461380658,1879587.662551619,2942260.915484117,2286117.225825557,3090407.422508497,3442525.353731546,3981964.821206912,6962276.792577884,316428123.852329,37481293.88997144,9863716.331297953,8412393.957156751,9774030.223322216,1204282.893803938,13208429.0796281,1468146.450866463,2664080.5727692,4173689.743548012,28453047.01541246,2109751.259242686,4573065.678983529,1172274.357396336,1434819.747003031,4439702.521537042,25902723.11517342,637944.3734321542,33692882.2776309,37735127.80677132,32862983.7476862,13312874.78694332,18306535.93351354,34919261.53028589,32328688.59602376,31717088.85201277,25002690.60562008,26856454.51762867,15284769.39695397,30893586.20236715,26750506.37252109]
["Com_610_neg","Corchorifatty acid F","--","C18 H32 O5",328.22442,6.339,327.21683,"--","--","HMDB0035919","--","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",54577635.5929587,13546229.71354632,9537538.001588477,3654556.074137051,18673365.56112242,10009647.63761387,68103044.26730077,29589406.47877315,6291272.858513066,31619251.48684508,20578792.16299297,50376641.75672659,96321654.15208729,15434932.11485784,46735682.32871782,3489513.51543475,9680944.409309562,9720398.996737188,9032737.362599015,103299717.0534693,10744101.24089478,9686673.37639662,80422152.4589267,27237264.52007493,122714013.9546379,13792475.54280718,107828184.8134795,8003272.752376775,12936227.53888292,10409600.45783341,9003637.294450993,10164624.40793939,46207143.16186493,65338455.63656151,5739395.329627687,37113304.75560997,3137011.946377292,2479539.720331508,25011552.09876064,13556630.21011655,15513742.53650196,20035249.7806091,108340360.2482462,8503815.64149843,15138218.1336299,54468658.34032157,77286520.86758628,53495239.31286889,18284537.13297506,25701868.20736254,15806440.26921585,279598560.6479263,32073122.91803317,6677761.339541237,4026041.121740248,33239839.24245925,44285347.40659378,4557342.901160253,15667715.5623479,20457560.83968532,19302591.20984824,18876503.08880021,17637270.22662943,21494000.18626625,13434507.89068337,14729498.9162633,10617903.09125261,17220993.57441295,16411899.34737512,19023020.8787996,15231192.98774072]
["Com_630_neg","Gamma-Caprolactone","--","C6 H10 O2",114.06763,5.541,113.06046,"--","--","HMDB0003843","LMFA07040010","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Fatty Acyls [FA]","Fatty esters [FA07]","Lactones [FA0704]","No results","No results","Full match","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Gamma butyrolactones",4451496.176062652,10011314.62226665,121837294.3536244,44000689.89547917,24252583.19556906,170673950.5795732,33169488.75841014,7768695.634340197,58760018.08553015,82335560.11492667,220785415.0292852,211559673.6914692,9993634.35369419,1831311.955838217,5248933.950396118,7683021.781996036,151019599.6562878,59791762.98224333,103956521.3722708,114878241.7536577,172642828.0149454,301070229.9716904,12465238.50142784,208284397.9883249,40400803.07470554,194481876.3157052,20475323.03788948,281905008.9391753,202538465.2799335,171833371.7181897,201024102.1552097,125786703.4388981,32595727.43869909,20288292.57371217,173684179.8606539,31807462.39484009,129032410.5593038,56400142.70059066,37592050.63448525,229801643.2411697,214581455.4975391,87480561.87384881,25041383.48451876,151742317.0780822,18089808.22070867,2482054.557935839,19110941.29107259,10358884.56779963,5941313.885386276,38394745.53797406,19470063.01877318,10676496.87322747,34837327.57079669,6177816.530543849,3920650.118681101,10809934.87981504,28343133.50582149,2839883.651832004,50031611.794729,51455919.9069187,50721874.38668068,56925222.80200037,55327885.18675099,55674043.95728129,49906119.82117962,53447009.22157805,51626913.2031432,51872141.51732625,50353627.61105887,52571575.93340534,51755038.55663218]
["Com_642_neg","Citrulline","L-Citrulline; 2-Amino-5-ureidovaleric acid; Citrulline","C6 H13 N3 O3",175.09506,1.385,174.08769,"cpd:C00327","map00220  Arginine biosynthesis;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0000904","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",6201519.24334502,30377536.19099661,96717245.46882758,122184417.1569644,38118728.84361448,65905312.17485524,51847441.35104418,7467695.793448327,151810425.2969404,46552353.12298431,243356534.4388857,336792312.7330885,23239248.83390458,37222392.55873849,39215725.11282507,36527051.19686624,88881679.10948199,79205692.7423782,134721406.5843318,88494869.12598269,113962022.1377119,59306190.40299352,20041896.94592564,50178561.79371187,62322006.80820427,159702837.3786356,32249667.65502913,38326352.94165809,76984461.52070922,58212417.54061186,32612393.12516611,27951043.78415782,20549532.05832225,14431470.7745016,34575631.43731484,24632028.66798964,63601327.45116933,43965753.23709672,15436398.87061275,21637811.3270783,134500645.0778382,124257042.7838982,16795202.4978585,81189103.86507119,17984451.09922127,24222967.28570723,23659825.26567953,13062111.54309593,12961873.57863335,31134267.0073849,25424853.68444892,23575844.17537097,82187014.69961254,17675685.74497285,7040792.047248123,43201324.90975875,44962785.22861566,6301641.938758463,19897451.4708053,19331740.08147793,19264266.21303402,16641422.91163526,15797368.12161507,16117701.58852705,14739282.72006225,16563797.72383881,15553084.9500014,15035163.24537213,15364570.56095024,15465090.66525121,17103189.72233263]
["Com_644_neg","Maltotriose","Maltotriose; Amylotriose","C18 H32 O16",504.1685,1.417,503.16165,"cpd:C01835","map02010  ABC transporters;map04973  Carbohydrate digestion and absorption","HMDB0001262","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Oligosaccharides",2740579.664079884,3790237.957027033,19412045.59777296,13363441.39325096,2496837.104418176,48937842.99514453,4479916.524363345,2572606.672609295,5850107.415970635,14299404.39132556,30958973.18527601,50301243.91139863,2522247.604616702,2778198.657875074,2723568.447992277,2891802.16810982,53716845.32584003,4347935.64289518,6747525.19862761,62978121.32535855,90747800.29887643,153472237.5049754,8746858.45524563,79322726.79720679,51698006.18535874,25479910.12703295,8343461.270376879,194263347.686517,183846965.1059572,82561135.3399302,73579803.9743777,31558357.19497286,3848190.860985409,2342747.503997971,102067476.2280508,2795298.335213314,64392079.66415317,12026322.24557308,3400480.561498102,141449260.2579931,56263329.15597232,4826930.739886611,2857717.573785202,11515545.57813739,4460252.711518449,3273887.389240569,2913622.984086273,2775388.851229056,3311876.179519456,3810755.485867729,3576351.515409736,2172994.926485968,2756046.305899199,2533752.350299493,2711226.11119966,2778212.852902168,2699607.596317507,2897287.820561739,8465431.37278595,9249858.38990057,8284491.683276088,15147026.68309396,12530307.40472286,12389678.10568721,8819793.262374042,9880718.969172172,11689341.85578421,10885569.23273122,8837664.396757353,7156302.981720489,12305413.86849617]
["Com_675_neg","L-Serine","L-Serine; L-2-Amino-3-hydroxypropionic acid; L-3-Hydroxy-alanine; Serine","C3 H7 N O3",105.04219,1.359,104.03507,"cpd:C00065","map00260  Glycine, serine and threonine metabolism;map00270  Cysteine and methionine metabolism;map00600  Sphingolipid metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map00920  Sulfur metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids;map02010  ABC transporters;map04071  Sphingolipid signaling pathway;map04974  Protein digestion and absorption","HMDB0000187","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Serine and derivatives",165623678.4233175,186306178.7374142,72569590.34208082,101217400.0801176,115271108.1847781,8774941.513670182,144077017.4560633,171774505.5231684,101485464.5401169,82157977.8880231,33364627.82952417,41834666.84714536,197911419.9444425,295845012.0194496,274292784.3467422,175540363.2762566,40278378.85035847,114483195.4254648,90766782.58200584,68601132.74014446,52181396.58437655,30439872.84940014,216854546.9216416,50165895.65073506,162589018.2743388,21646565.76797932,219236534.9329489,17138487.30174072,33508016.12225747,52068140.2684041,62775264.68375678,71938576.65268289,158369653.3211556,150663297.5525938,26211743.63839135,172779174.5139094,19006642.48341329,143367993.5847047,68568932.17736386,12033185.35700222,20551633.43635146,91764538.11449485,150830757.3728265,61488632.36631323,28181240.54968964,171141084.5674439,62984482.94878314,180079706.2221103,175379504.4645478,151626115.9252457,140568733.8192964,175259315.7462977,128512472.2455919,164370695.8736143,210067850.4824123,134569354.8269905,201129593.2509046,183380994.7084672,67598957.2835008,77409553.0597913,80719648.65747152,96938373.98675004,83008347.21469891,92768034.5269202,89640197.05289337,97422406.600097,84439352.87668553,90600348.80996116,89504254.1903546,83748494.58755948,79317710.77484089]
["Com_684_neg","Ethylmalonic acid","--","C5 H8 O4",132.04171,5.051,131.03456,"--","--","HMDB0000622","LMFA01170105","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Branched fatty acids",7114160.26202719,9637037.728219189,31116786.59089829,31256992.53712412,14663820.89267102,70834443.61170118,20272360.20157205,6469754.635071154,20415884.051117,38205853.59161177,43631964.91029152,284909898.9454182,3475326.394730439,5438752.655433232,6541374.141682962,9071932.547146993,66928337.47135823,28514600.63261736,33687813.18767341,26210918.69735331,56470618.35958979,42684072.66378252,4396077.062472186,48643341.78534234,6058538.425064809,220390262.4480118,2867564.326444604,13973313.70284093,25557022.43690112,44075354.56663977,55295708.96796559,41965274.57897871,53696962.89756113,10072074.34271279,13864082.93277243,21882090.46001661,142144287.8900373,9228356.347307803,15307698.46592919,28346640.9585009,99421756.19859838,23093666.64047903,10261460.39007074,36614553.34211946,20516654.97771454,9404392.700380512,16836127.80405275,5587550.384541604,8096195.56193829,10797122.16381642,8866209.995467836,5260999.870456815,10976915.5605919,5232432.356676131,4869281.956085466,8492871.534208203,20009106.71355774,4498762.135718296,30023064.061014,28587521.24827735,31978514.92266924,30948977.29397677,31955427.74516329,32076157.99393351,30015524.08500244,32717641.34702745,28526835.8785239,31056998.649073,30833549.47262551,33683166.47093453,32261068.52339348]
["Com_685_neg","methadone-d9","--","C21 H18 [2]H9 N O",317.95453,1.268,316.94736,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},106226234.667255,218275068.4952004,33382828.97945536,380646170.3322037,69290702.40751928,360588395.9950869,51901932.75382504,44028938.99034516,101820886.9252082,12192511.99965197,11143964.76490515,30633015.46395627,20110423.06695174,35947636.84559119,26305584.75891993,142060204.380394,23832368.1663876,137546982.9679994,136506028.9335282,252140774.7299468,205796318.7119824,11080120.78270271,20761116.29701216,23941095.44273068,79366042.34625548,7362215.12984,14348020.07923887,14060017.28245795,73130101.09434216,153592397.1709136,211635536.1669343,127346611.7697613,37825078.53388983,41994362.72915886,227513548.4527889,56460228.50370696,175062316.2575624,119540562.2253327,42512771.21133823,58491951.70861899,142599934.4291357,84091876.40360004,127026481.9968058,187037413.6199836,179961177.3439938,59892179.04864528,193902965.2484773,34879850.86989681,128859447.3734226,130430728.9734646,57784030.82993891,55854028.29354712,32885058.70592569,23412571.44620869,70144097.42856057,82763229.18751922,65193827.39712644,71816026.52748924,23467389.4765272,20332703.2395052,25273430.2394922,25435890.14397765,26225571.57349102,23590905.25739689,24558627.97057877,27702321.30693033,25573931.76787887,25840811.23604857,24594494.47473947,25717185.01071621,24684049.13536622]
["Com_691_neg","DL-4-Hydroxyphenyllactic acid","--","C9 H10 O4",182.05741,5.234,181.05029,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",11982004.62874779,22779228.91887567,24536742.69529764,22058732.93287048,14140564.35908982,9420678.999692444,19983523.60461259,15046591.99465484,18609946.89479328,27124679.57378778,38936107.68336584,98286293.322962,6906853.518653498,10149783.41678328,8394321.162473898,13283973.75475986,42350562.02307709,35364454.18010517,56341426.5208623,109295673.6665894,179605333.3373182,90359002.7218548,16757828.88302617,145353612.9173675,62189193.93986549,218324012.297776,22922133.69041287,177957775.4264053,220831505.5295115,177468814.4709811,107859832.3752331,61895282.43416044,29800073.06295368,31658045.72122588,119410517.7394432,39903922.82041802,190157771.66655,54798499.9556834,25199820.22178319,248745589.9462701,52078590.62528952,41391882.4807656,8651358.533062506,34273466.09891606,17237117.16607535,22355289.7829402,17823934.67006934,17609744.56396945,17551003.64086014,43623695.59732157,24060931.844955,15350532.57486004,32593672.07742502,12787056.66692153,6491228.650503083,19720816.7020456,19359662.16410827,6564409.560001671,63613747.5950474,64686061.49479277,66336101.71821882,68755719.46842964,57060670.81676462,55772916.06894014,55674013.0052682,59450028.41211423,55245751.38296688,59313170.20452449,55932645.90241671,65210938.44094902,61924885.68396416]
["Com_694_neg","3-[(Carboxycarbonyl)amino]-L-alanine","--","C5 H8 N2 O5",175.96285,1.212,174.9557,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results",{"$nulls":4},3938298.046406052,5963200.283091648,57360462.67163741,53546625.59257309,3243221.286947676,74228778.10686105,4298922.34002184,2460882.701333487,8200159.557667347,44257393.99482276,78288476.71911716,128505619.6328799,1259286.154456498,2339920.495617897,1833730.590231181,2875198.011660105,20689620.8415008,4365991.063520591,4977990.571556487,4774664.829467979,75419460.75648242,260304914.9363419,7996977.448301089,41720427.83308575,4981288.70588355,123705391.2596868,2885508.42271816,303013292.6704758,70129036.31994961,5718504.97397323,11346178.17429107,9372403.329821791,2825887.450361148,3870802.528939317,40685475.31937703,3669754.360475136,43389453.21672448,2877723.646013693,3277145.293375649,253699336.4393798,48177904.17310861,14625510.52459987,2804674.352587843,5123776.333594133,3086327.432327152,4150481.896719024,2465706.723125869,3311994.321923797,3936124.90358726,11152043.03349579,3328163.911388794,1937985.361451384,1439236.80658607,1777318.606339094,6607251.856548384,2759907.940141091,5239386.216780129,4547155.387143472,13512490.9273521,10965485.09247464,12453528.10981708,12433669.42571974,10847449.14596659,10204714.55932832,10257173.91584647,10042155.52275737,6813090.912035761,7372699.156581982,6019681.64900233,5849820.353379274,4929273.637615248]
["Com_702_neg","o-Toluic Acid","o-Toluate; o-Methylbenzoate; o-Toluic Acid; 2-Methylbenzoic acid","C8 H8 O2",136.0518,5.232,135.04445,"cpd:C07215","map01100  Metabolic pathways","HMDB0002340","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},11444106.9608278,21696175.32290083,21716495.26455852,19944667.15031143,13623725.15921642,6665866.657057996,19082656.0854538,14768174.82549617,17256128.69853693,25142036.68299422,35639341.84630329,95523230.89060666,6738757.610775412,9932780.047789373,8262776.174227511,12368185.08597943,40209177.95392537,34696385.4893452,54696258.00104053,79751966.85591416,131037982.7393111,59238681.66165178,14345914.40994044,102464341.4327719,52240941.16206308,213905712.0371668,19718107.69325146,109264428.3529498,151339013.663132,120728372.5416905,72850742.35581096,45320615.01324712,26823956.76534292,28908553.67378122,76743246.71225488,35886127.2883498,127932979.4377918,45774544.45346966,23297120.07645274,180826644.1461479,49147172.84001869,40203114.49141903,8378921.365448047,31653666.77318229,15927580.66867942,22097750.93612923,17430549.12090023,17208406.20472251,17319669.3918637,42893372.55788847,23462852.4154973,15100494.97791083,31755672.04378188,12535119.01375518,5837941.148563641,19288337.45504523,18788651.04113482,5988795.03870026,55025711.2528622,55685270.76810374,56970054.08931363,57537060.82303183,49399974.96640471,47267764.32061064,47410170.85880521,51011861.13347733,46539995.80426887,50442796.99541606,46882297.57161506,54877355.27510577,51640037.1389904]
["Com_755_neg","2-Isopropylmalate","--","C7 H12 O5",176.06796,1.453,175.06065,"--","--","HMDB0000402","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",3106286.484929804,16826710.62395809,68787895.39980634,23575476.0643777,5269064.309350773,46739857.47623664,16994131.94496747,2157930.380871181,23596678.95369581,13669745.15931574,114799252.0014891,177503879.5535678,1828397.623459616,3185318.762218989,2164784.396264756,14044961.18790012,58577964.1781635,7794438.186157897,26129298.43108084,82530286.9429754,91458255.72182404,164833595.5292123,13978167.77796381,105737828.0276329,47169014.28790577,81735603.47014491,15410949.53026002,271765969.035887,154775206.9392289,68882556.41884875,72392992.56117876,51988885.41556668,10678829.69499424,8482265.52615589,88959903.83666302,9199919.152490774,94270415.64601624,16404127.14223056,14833950.74322458,131302367.3909086,88228364.19348776,44648421.14993974,8675956.184120625,41006394.99965297,11936629.7693725,2837048.672478633,5142779.05863037,8054967.319600526,3476925.168980154,14116269.65503629,5601705.552103387,2457271.127944117,11429142.63308588,3035721.092058834,3303581.051310101,12360244.70213651,7319938.53214574,2421296.102244367,10808635.1274006,10866856.42318856,11504200.35060688,11055544.41151548,12766089.3740795,15811216.49704914,9864584.553239867,14423104.66880269,11704829.74581967,11284910.62509761,13718312.36483939,9863201.069241816,13631691.88987887]
["Com_758_neg","N-Acetyl-D-alloisoleucine","--","C8 H15 N O3",173.10469,5.579,172.09737,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",1048019.09024101,1590534.934934438,1051370.472031688,1197862.209236956,1191284.985348306,2724560.207999873,1101648.490511499,585199.309907168,1189927.948945498,5866001.074754139,5456873.030075616,6491437.081074814,3483563.759103334,873512.1133120533,1161237.179130566,827680.0077619152,3711103.044266679,6913047.89595469,7134768.311770393,42772083.76874739,60928027.7614719,177389192.1250386,4039344.653860019,83906863.52488106,29792193.89519653,11302816.46684836,8999785.546934774,149736550.3020053,123406671.6563548,179062309.2905273,77623984.80353601,18864784.20416853,8113436.722603983,2999020.995197731,130327607.7338537,6448719.335913711,59470113.71101068,15847808.10426442,8678362.278001677,286814880.647135,5555802.767194344,2866290.986686786,2289807.971055333,1839782.239561466,1682432.605811317,531177.515586695,1142333.372540511,1396748.480827476,1828599.975780123,3407638.225485133,3281173.289500741,408665.0507392305,3090260.265748562,756314.1034867918,988302.630864398,1170119.58903165,4387879.140535119,393289.0881992895,5390481.77141675,6837227.228596755,4617388.463534625,6203544.834571264,6021154.0278016,5199213.954475524,6321345.826620343,8099485.941172972,6156666.816071476,6335710.773143433,5839550.79976333,6231671.688663739,6004247.498284524]
["Com_759_neg","2-(acetylamino)-4-(methylthio)butanoic acid","--","C7 H13 N O3 S",191.06119,5.33,190.05394,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},63673825.81903173,113158679.346834,36899013.87919562,138612747.933163,92960141.25575235,35694590.07350013,102911548.3483956,57725885.32048713,107001777.2266114,63501014.65656916,67386205.96973093,27972065.53259458,43369604.42503664,49618063.31911793,57708752.55512378,85787312.30680145,29574575.42307279,145514104.3677891,117287110.7869286,100832411.0451808,88327349.29169011,41960686.56602425,142965028.5392118,48755606.25484748,119949304.8701812,115829179.4370833,81687288.18790625,6806785.854074635,47418519.14078395,64387714.8698943,63071213.52141912,89413900.44827044,141920915.6721602,86486684.73179851,42997324.92077671,125276771.4952386,61524999.72616194,93784984.19828132,66916427.16530394,40334296.30721927,49352105.98635604,132481471.7477827,85154260.6237105,74129420.85558614,102094247.4514562,58289094.55484907,93450834.54955477,54886219.40796734,159118831.8617034,92448518.07869852,162405897.369895,91533446.33514492,220847132.5225502,80059407.31997809,43037222.8504687,155319961.9458304,199403823.9721285,59078015.20046397,17185575.6900081,18633873.53812472,18750235.59083843,19029252.71746683,17290215.84352056,16954268.69455925,15674602.0185132,15691374.44804994,13741665.06589673,16206633.00064203,15986928.65662769,14684455.87213481,15334240.73386079]
["Com_770_neg","2-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol","--","C9 H8 N4 O",188.06809,5.319,187.06084,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},58822836.85651854,112357507.107253,41238705.21860433,118805595.7934407,74794760.17778574,37050223.98765212,87905842.78335136,50170847.29286908,96768586.5786174,59590341.0512328,60524486.65497962,48097712.97385012,35904716.56193244,46226349.83382678,50687717.63020359,75312599.8582122,30363003.8336299,146953263.3787354,100380477.8891808,97684355.0895744,84415436.5987502,32075536.84397415,141428658.0651782,46223578.91635703,102144753.421425,103799225.3900325,75881187.38442658,10856920.81538947,48138739.10186136,57372120.26899766,56378252.00143912,75600090.09812859,126286374.6716156,81789023.24780045,56742202.55073788,112448723.0070062,85886281.06164463,86227831.31035227,67486460.75580402,25789105.65933523,50048818.95040923,129559353.9434067,77080220.29905355,68798659.07477033,90191286.74844456,53987627.76591865,91445977.73935494,47609711.1762422,134269337.0622021,76412468.62288757,134704265.3809555,74160409.44647048,215078486.6883808,66579488.5094424,42823073.9259459,130899277.7588813,179457324.8565482,50973815.8697619,17022951.8485285,16957012.92954575,18442664.97083934,18210974.37013368,16337104.40715701,17783913.79418314,17750465.96108547,17824222.63684074,13098811.06074227,15561381.81130003,14587043.87507818,14103609.63497099,17526751.8914429]
["Com_789_neg","Succinic semialdehyde","Succinate semialdehyde; Succinic semialdehyde; 4-Oxobutanoate","C4 H6 O3",102.03123,1.863,101.02395,"cpd:C00232","map00250  Alanine, aspartate and glutamate metabolism;map00350  Tyrosine metabolism;map00650  Butanoate metabolism;map00750  Vitamin B6 metabolism;map00760  Nicotinate and nicotinamide metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism","HMDB0001259","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Straight chain fatty acids",48872505.64108505,93819520.21416298,120829970.3656927,99158906.34631003,59250599.02905226,145253723.6975027,91081407.81536348,46303920.04821169,137919279.0269393,61985931.70258722,130422657.7655223,149629407.9157762,43269920.82048654,63843664.42818704,57178969.66488096,66593137.66250645,79214143.07111013,102898339.0231416,109232409.4630843,77039059.0995652,110146869.7505855,47722223.10205354,52883745.44109402,77984284.2379585,53956620.17263938,120860622.3628981,44824544.70529831,40079025.87307761,59212268.686282,93721254.29456145,66953380.28341786,63885554.00360147,56173947.03159369,48337015.82865258,40487816.92650452,52774712.29834261,49368679.84473886,79792346.10933235,55300398.86931399,41059548.78114734,82424919.71786731,95116954.48148447,47692455.82519674,86322029.28761356,57527773.61865915,53828857.36164466,46418162.24011597,54611680.85839199,51714528.44527873,73903014.50608766,50774532.45409812,48309305.10840967,72321624.09829228,40764836.85940222,42830891.92597993,53345805.60559041,68987442.4576995,48430684.45290148,64304236.9116974,66482737.9845508,56531381.09758644,57258550.56269664,54925736.65691513,50201506.66520219,54433579.85534768,52100018.96781283,51385818.16574309,53552901.8836073,51151095.72220822,52703271.29695725,56931251.4677871]
["Com_793_neg","4-Methylumbelliferyl glucuronide","4-Methylumbelliferone glucuronide; 4-Methylumbelliferyl glucuronide","C16 H16 O9",352.07604,1.411,351.06885,"cpd:C11584","--","HMDB0240464","--","Phenylpropanoids and polyketides","Coumarins and derivatives","Coumarin glycosides","--","--","--","No results","Invalid mass","No results","Phenylpropanoids and polyketides","Coumarins and derivatives","Coumarin glycosides","Coumarin glycosides",21148421.94803788,608053.6262018351,496002.4922066166,1105257.870229397,10775062.93637051,264804.7574992008,4050078.306369123,17014127.39900818,2188579.448710058,12382105.9099503,411014.5426741783,453710.5621263179,42186007.2418424,14033917.28399357,18579182.62979921,6877511.494211494,4129656.270441918,12356096.72255957,4455070.553510418,366477.9558756504,2513884.970757881,389115.5885596373,11408573.07315654,388322.8636163783,596558.0112783851,394742.0107040445,24496979.40927677,500198.4533961087,469683.59723199,1506856.062394904,2988986.387398625,4372083.775265189,17881966.59386558,12348873.41376509,2481555.544629211,26227247.05771957,2241099.803318328,12282484.40007704,13799411.74401141,389376.7760890005,340099.4400419384,943007.0684803128,6634247.553825702,8926331.528764037,5876878.76046138,16088491.55500494,13894400.55404738,8300722.278963615,3219927.215154578,520054.8224409351,11865705.70520006,24104006.5794723,7133976.944958064,36730308.64856952,449139.7628321229,13441388.03601234,12178162.01560937,456670.1300346745,18400204.038481,16664893.6516568,17347549.34443571,4412153.369749778,18147062.93477372,15474897.13498035,13192278.95670541,16813797.79433328,14724556.53456097,16786645.25738856,13053844.02955611,17298941.31093849,16436151.59298007]
["Com_800_neg","Pimelic acid","Pimelate; Pimelic acid; Heptanedioic acid; 6-Carboxyhexanoate","C7 H12 O4",160.07302,5.485,159.06586,"cpd:C02656","map00780  Biotin metabolism;map01100  Metabolic pathways","HMDB0000857","LMFA01170051","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",4789913.699050775,5816648.458827621,21086812.30004558,10716034.3684103,7733279.126163604,47025311.0742424,13895044.75850218,6922908.623267698,9656206.631408617,17410800.73932913,81100908.3376355,74945729.4753024,9451339.07484986,3041728.722465052,4615311.274953893,4368556.434070463,67740265.02644686,23680944.86772853,36680030.56007438,7692692.976362371,11865396.81530795,10268357.94528321,4767596.4455688,13013146.78108885,2997064.342464156,179618338.4575271,5291546.012203717,14460375.60176537,12515857.30007731,9963193.39863298,11831595.308956,15750562.66753948,8459610.40716406,9583188.14994046,10884418.33772961,10355440.08388102,9363053.554789692,8820957.263579857,11686995.64072686,23151565.58024897,57350878.42439114,36376623.3191683,16372541.38916387,26175041.98229256,9494243.846041352,4992828.673317448,13575932.36364082,7807734.681249144,6560702.181242108,9008375.434035022,8133024.609183261,9186916.779630523,20856866.58275162,5338978.725890581,4005812.566015114,7022460.910172577,13154366.72643724,5368824.266724789,15050720.1726302,14270624.37293683,13875890.78793296,16872272.75615996,16020097.74788116,14786574.96787823,14716514.5238972,14438152.26104824,15261530.95117981,15485071.72977485,15426148.83583366,15470377.68251567,14853620.76958949]
["Com_809_neg","4-Aminobutyric acid","4-Aminobutanoate; 4-Aminobutanoic acid; 4-Aminobutyrate; 4-Aminobutyric acid; gamma-Aminobutyric acid; GABA","C4 H9 N O2",103.06296,1.392,102.0556,"cpd:C00334","map00250  Alanine, aspartate and glutamate metabolism;map00330  Arginine and proline metabolism;map00410  beta-Alanine metabolism;map00650  Butanoate metabolism;map00760  Nicotinate and nicotinamide metabolism;map01100  Metabolic pathways;map04024  cAMP signaling pathway;map04080  Neuroactive ligand-receptor interaction;map04721  Synaptic vesicle cycle;map04723  Retrograde endocannabinoid signaling;map04727  GABAergic synapse;map04742  Taste transduction;map04915  Estrogen signaling pathway;map05032  Morphine addiction;map05033  Nicotine addiction","HMDB0000112","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Gamma amino acids and derivatives",169875242.7736208,199855692.3316719,149367251.4007047,107089397.7120218,103857040.7235203,49598484.05721788,173222192.0717745,204904729.6938392,115454017.001322,111386864.9754576,127557298.9039817,127002339.1510249,171423771.8554582,220669835.1191854,224224183.438899,171712139.3741161,105703500.1019261,30688998.67314716,134332805.7900799,85697793.38381094,44519223.77425318,64970652.65951947,109891355.8460054,95509825.12707354,160110964.6007814,35429265.59518944,111384209.2488648,45278212.73230682,49812609.76851024,78317547.27760261,64375022.45393643,83126319.44104226,164676944.7070327,129571686.5695991,43315052.33078041,135552635.5410471,32688659.73782445,105796111.2034631,131229683.3671887,35035587.01702272,87767228.20598035,127643648.2724866,149339011.9513752,74332835.6116818,91928007.4501272,179463771.9112777,87162136.88003753,167974405.7695338,163594751.1164415,190921876.3457872,107824432.5797705,173731708.5942291,121741457.0147125,150869415.7067989,219833977.4402848,105448500.545731,196084073.658606,219533089.3775869,75544561.0971785,85735215.7995343,87292777.12436363,79006089.77322598,90175491.96329184,96829367.4363534,96392940.75092795,99322174.37623905,93749122.96938562,94030513.71424416,71984328.50794743,87567671.06154281,83002112.35271515]
["Com_838_neg","N-Acetyl-L-aspartic acid","N-Acetyl-L-aspartate; N-Acetyl-L-aspartic acid","C6 H9 N O5",175.04742,2.07,174.04015,"cpd:C01042","map00250  Alanine, aspartate and glutamate metabolism;map01100  Metabolic pathways","HMDB0000812","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",139405975.0079363,53529159.19541962,116690181.6899122,133669383.2811448,167913879.0569996,166988495.27621,147777015.3338054,186452683.3922477,161143905.2617628,194908446.4182358,29945721.5679294,17426711.14223997,126731108.2624066,102822382.5326217,129531545.6765626,131256588.4201715,116937211.5546116,95455697.05509602,103900854.4417531,73915563.48625283,95117225.41420574,21967707.51304811,122544897.7213468,45440257.42632294,90526964.33648191,46199452.54454999,71795573.60885555,126416457.7952488,44401317.47794737,63004446.36706415,70762523.00423168,67121619.22681822,112843320.339737,64305526.09918384,46079029.56101771,76401789.2681495,40730346.37154424,56010217.89237023,80023622.06127207,64333194.13314229,154118349.9806597,78153472.98173267,147678242.6228052,241673558.880553,265268190.0005677,162328529.3742867,147866281.6006928,162505593.7128541,100340292.9393634,159283142.4308215,176520756.6176684,112362551.8896583,183593810.5361437,123083046.4643929,55602921.63881517,197128914.0955376,240619978.64788,100190065.0596274,45743169.9107483,64645979.73371627,71783444.80630946,66132600.73215706,67942214.79678196,56536457.41370592,71213586.99225906,62897802.57974541,56594667.11246909,58434589.35209359,56315629.96531366,53833312.28022758,52454169.39364333]
["Com_867_neg","Raffinose","Raffinose; Melitose; Melitriose; Gossypose; 6G-alpha-D-galactosylsucrose","C18 H32 O16",550.17313,1.438,549.16547,"cpd:C00492","map00052  Galactose metabolism;map02010  ABC transporters","HMDB0003213","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Oligosaccharides",907816.066594337,1452024.603342136,6005745.330649843,1250134.854129294,916541.8693383784,3255880.622378286,1544613.683383725,796984.3551236101,1120961.713408394,5075290.359056194,11216465.25562006,18149146.16800975,758895.7658856002,941572.976581546,972507.9728445356,886988.9199154602,9779751.920526078,906467.5600115164,2003779.09898545,31924770.68823688,21717060.50754086,133263029.8189524,2808572.338423146,116956073.7642742,23979995.1028848,1780067.790193539,3985347.606592335,223675764.7204242,72240507.2421893,39619548.43142111,36810787.6309785,24307906.93091594,1182355.976406819,1325517.207742957,30162387.11712289,2036013.071664124,32670022.5608639,3161432.130972598,1985223.295778532,154900301.7352995,7035654.323737157,1963510.003299735,824467.112889244,1036586.964650516,898659.4974768092,990756.538643346,814225.4118200064,898739.1540460644,1463415.989334531,1396257.422576158,1069600.160150183,782212.7573559107,908106.6080677132,933149.4597409492,780536.6942863244,1056164.371673267,950998.9888233276,1131710.722809182,2661071.98803381,3096918.834601296,3631980.844312379,3968173.067784126,3167461.883668933,4010079.434369484,4864172.336749894,4406959.842634305,4450900.815604025,3181998.790892268,2330747.041979232,2793072.531404086,2947518.098953913]
["Com_948_neg","L-Ornithine","L-Ornithine; (S)-2,5-Diaminovaleric acid; (S)-2,5-Diaminopentanoic acid; (S)-2,5-Diaminopentanoate","C5 H12 N2 O2",132.08937,1.377,131.082,"cpd:C00077","map00220  Arginine biosynthesis;map00330  Arginine and proline metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids;map02010  ABC transporters","HMDB0000214","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",9983893.114738816,40146213.39311584,92386650.39695664,77689915.21821144,24957472.9174993,49853713.71426783,42546537.59861843,10152202.02785846,113553324.6906086,39801886.11774124,125763344.232525,196096472.8746506,35242822.48225543,36572868.22025581,37307707.04774693,31036581.00566728,62652162.98087475,58581010.53175302,118345073.8975794,86447272.35732532,49863934.86152594,51638365.43303079,32647520.74630708,34636678.08547002,88132260.83599311,95649158.53288127,41948758.31411509,25758377.84115212,53300151.33518381,43197513.65963936,28292526.64649462,27672764.56558604,24391440.43766965,20143026.17290078,24785722.01083078,27294861.45298376,45489143.0323313,33712574.71366122,19118182.64797121,18426789.78832724,103492661.5551393,97829665.28395106,17711705.2038602,53955738.44109741,17861982.35293264,18933746.15281167,22396375.05277072,15726284.3355049,13080830.28427419,26651046.36800832,21586798.78280586,18619611.95776801,55802905.58139557,15801884.24657093,7751864.306130245,33865323.64332697,34300545.54942815,6444104.632753767,16971964.4584292,14976366.57479043,15578148.82833124,17269200.80233314,16258348.35052762,15788926.51784451,13795569.5015421,18538143.83083266,15254009.94743216,15286139.63727909,14104263.45394912,15514092.32265324,15971550.23762096]
["Com_965_neg","N-Acetyl-DL-valine","--","C7 H13 N O3",159.08897,5.375,158.08177,"--","--","HMDB0011757","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",13932671.82299993,12261155.06275728,7830797.391224053,8649624.215663847,16194310.07157964,9964322.25460449,11031358.63176441,17257278.2229903,16455229.22540921,16427819.89355483,15539507.13892911,25990750.20881006,9920012.59396182,13055467.40695845,13189340.01867844,6987905.097527876,13291991.79201938,40255937.86524256,28032439.7602568,68887949.38386245,97702647.87507696,92343935.29002142,22401924.32315825,93782944.47464655,22091138.77310472,65654944.65403159,15595700.91387936,13534546.98706398,13843070.70624672,68591239.44332828,84876283.90407234,71250181.3495029,38770020.3905159,30479817.29585944,116784644.7975981,41062376.07007872,152934994.7612313,56238670.16626426,40263128.32306402,202689392.1446607,14590496.51761417,26046403.08044299,19320848.58386832,15812488.50769912,15510209.20505362,12064889.86545538,12817978.93426774,17372729.99789149,14039424.69584984,23129131.23902344,19757533.76519022,16094738.82102636,32390911.70216033,13899158.54611218,8393227.620136334,22663337.67955473,25688369.83716586,11640639.89228434,32620903.6753029,36986761.6566006,37401269.1014806,32384639.36378249,32649557.98515183,28744569.11079476,32720860.54938101,34431951.60934863,33719281.30933197,37394211.01748512,35039531.04179545,32394585.28798633,36999892.64890603]
["Com_971_neg","Lactobionic acid","--","C12 H22 O12",358.11157,3.366,357.10422,"--","--","HMDB0253945","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides",23720032.70425938,4437637.898840566,5252997.962678065,11362533.52505111,12306721.30482172,5548328.919201279,4704417.334224595,61410588.39226004,6493746.810261101,2870807.210331736,4384410.124077072,4670384.13065128,3810814.863825848,2497844.348698369,3747127.763537771,11962927.3162323,4737187.625828864,3940223.755433463,5183834.795896375,5128790.576304656,4680127.487103723,5559962.0973947,3589765.912029759,4434885.378626325,4983366.957711817,6062563.177018557,3757827.206901677,3740095.664981642,4565294.771234707,4897313.258978012,6817305.742864995,5657660.922798901,7584631.879155002,1834564.98183132,6672349.072357971,2412251.594522385,5378446.274788674,5236683.664347986,5943917.736552789,3679698.709790038,5856558.283867361,4006126.748299021,15691861.3375066,3794487.775415525,8661204.348505354,13526376.1773714,55691644.72560683,12125463.83074966,7202514.564635598,6235801.952438007,4355530.560438814,15005698.00099485,5213744.350927099,14007524.59362764,2829286.809216167,24863096.00806506,9279938.75403427,34876380.89031497,69616377.0614357,73697724.82571515,88244837.76987416,59691252.01027838,57497519.89324784,56928563.20536453,63112340.47463633,54873208.73976687,64673633.48605415,65508262.36115796,65641096.22053682,63688123.27065074,57283361.48538266]
["Com_974_neg","(±)11-HETE","--","C20 H32 O3",320.23444,8.173,319.22733,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},89795733.36463393,35150408.08731681,9115620.72107876,12056060.250223,34901897.58579747,2437697.433370661,22646726.35963394,57876464.68624559,17771745.03690568,24504870.36979923,6561028.718376138,21131317.68769318,84621687.77392155,157719875.9536026,68939194.38300751,22055317.71980854,9341888.70311002,34680144.87292194,16961997.12331381,25662350.31733387,39244105.75756953,21621863.95425359,48957725.81300437,13608048.49765111,26535396.69521365,35899763.3235381,116312428.1479175,12489247.53567821,16264332.57532108,30324189.00160387,10912965.77716486,41169917.03090675,36752677.42738965,55273780.70499076,9545536.092728589,99295739.06337078,6219652.232667487,32663921.19751821,34672239.04447562,4821530.930882771,4236469.908816101,18098153.16102139,42591019.07562973,12418567.35630298,31206843.71606646,49336749.29898569,44940921.96084095,91606578.90189596,21053757.83015871,20915647.70431965,28258871.75943198,71770510.11370742,68090457.62451653,163723039.6569085,29020894.35789448,72828683.13584082,30462466.86710147,25092163.51721714,28826763.4835943,23579525.3192368,25845725.90150147,25212660.16304908,24971733.38552545,24333643.86863,32516342.96347914,20200661.85610811,15899065.6277762,25862478.85147962,20309295.31816195,27700056.3430627,23993372.23891233]
["Com_1002_neg","O-Phosphorylethanolamine","Ethanolamine phosphate; O-Phosphorylethanolamine; Phosphoethanolamine; O-Phosphoethanolamine","C2 H8 N O4 P",141.01855,1.338,140.0112,"cpd:C00346","map00564  Glycerophospholipid metabolism;map00600  Sphingolipid metabolism;map01100  Metabolic pathways;map04071  Sphingolipid signaling pathway","HMDB0000224","--","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","Phosphoethanolamines",83528501.37466678,23335533.70101915,8279314.167767082,5776512.380447684,38414400.65490244,1355119.953879239,58605391.29904568,106550262.3564184,17429678.83550822,12127067.61787104,2917424.936239384,3449096.394822114,72368319.13285542,111574186.6184847,116221779.5848451,71551200.83116885,2582724.755127019,25096864.13500536,17751113.53505005,5552774.134230806,4439251.533263082,818573.1941342907,5389848.210514829,3298671.996667435,6951950.541049317,1696875.046029528,10628055.13694451,768119.1091270784,2831774.927871081,4095638.796328561,4092211.00001635,5265905.482253443,86645221.52891113,41100605.68384837,2359303.888763295,44560454.0218326,2558820.489726638,31171603.0802922,52770952.29124878,3126113.307904956,2272076.245761754,7280108.007804783,37097168.79778536,8517270.87812147,18938261.12937571,83934643.10574284,19704128.79830831,88663987.81682982,58144605.69723963,52325197.54521066,39670783.23560027,105578801.1452813,36535889.51787341,77403064.58783314,23211666.88307508,20219146.58189626,99530122.16828293,109041708.9263759,26443188.1008327,35397569.73294965,34554754.21424052,34508504.73496906,32829898.79256075,34582798.55608289,32027218.90036383,35086103.15017059,32378673.68024398,34198371.07554103,26874589.5925492,29915930.65553603,30545009.18754542]
["Com_1013_neg","Quinic acid","Quinate; Quinic acid; Kinic acid; Chinic acid; L-Quinic acid; L-Quinate; (-)-Quinic acid","C7 H12 O6",192.06285,1.445,191.05559,"cpd:C00296","map00400  Phenylalanine, tyrosine and tryptophan biosynthesis","HMDB0003072","--","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Quinic acids and derivatives",7590748.279877771,25526164.82235736,104789772.9294945,39224772.95123821,13318224.89182844,55074324.51053063,21918085.2321823,4184741.498228592,33768197.26213039,33939867.91802038,108866985.3006264,164358842.165204,8709618.804998918,4601969.810967795,4448414.632519839,19028158.4529753,105168485.9025117,20065080.57161255,30563986.86697195,60558827.46779308,64411794.11128839,152866395.2759919,20836959.02437406,88766137.65968376,60402329.33602348,103440377.9051368,25292991.01737722,152530586.4705791,107275971.4425242,68895205.81907135,56889767.88645086,38569171.6770767,9724009.6897504,11304089.99491418,62829878.25096627,13718758.68301,70465652.10075872,23199378.46782886,14284786.45225464,135144356.3619526,88742603.18369201,47964051.80991219,11268214.70345375,51444848.82071394,15736815.28101199,6551457.263766942,8949834.853692494,10233978.89084182,9438214.081195705,43880106.48039763,11432488.93320498,5973984.789078013,19635559.04610122,5273512.09380015,8761308.15386913,10809547.00739208,12555748.13453194,7902383.440841209,21332220.6379176,17439589.47079904,17992677.32162055,21076595.87724537,21467749.5045957,13466845.42947897,16720647.44199382,19413751.35413178,16167771.6219566,15578495.07550682,16612814.9122394,18777366.26779817,19294530.28729781]
["Com_1016_neg","16-Hydroxyhexadecanoic acid","--","C16 H32 O3",272.23451,9.816,271.22708,"--","--","HMDB0006294","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",21142313.63282366,13322289.27565324,18854662.07885734,35080682.34963571,27224650.70530411,10586273.61054467,63039660.20630439,3238909.950969845,25071857.06340425,33569561.61985832,6393891.910400385,6525398.321687041,1990130.874323944,3718234.424343684,4968543.965568271,11408498.55187844,20569845.68580143,20526912.22117447,57674344.6455331,6661140.117270018,10654529.33778718,3121180.945785667,4875376.104447445,9219205.701489376,4811853.291312407,3679664.308753582,3808171.972944534,1697119.539646842,4036617.272144536,11409886.46094781,12115999.02145334,18488711.70789237,2616173.240619481,2071232.458714447,26975723.37859068,5643122.100245704,104438375.6342885,5419970.524477779,3865297.521138107,3409771.595645434,14942707.93484695,26537708.28188344,2810414.291096216,201166081.6630996,77453626.36949167,7576140.793234855,41690042.71108332,2449891.804311138,3897901.636234764,48898024.60081109,5662980.074545641,1805959.811393909,52666840.97793255,4189627.959029489,11119351.43944222,19950642.37734989,4065574.945722817,3768539.78064184,11079793.3964214,8970680.082236461,10074731.13892688,10644613.0245002,10006339.12759991,8534249.379445668,8489793.174948653,8463332.628574163,7182248.874351327,6924236.920284866,6758814.039940077,6909075.427046346,5669071.869584876]
["Com_1022_neg","Orotic acid","Orotate; Orotic acid; Uracil-6-carboxylic acid","C5 H4 N2 O4",156.0164,2.069,155.00909,"cpd:C00295","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000226","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidinecarboxylic acids",7866356.230903228,9084550.661485704,7574635.999620574,20951480.76015616,12531564.76261023,6610931.864530454,33573377.86309814,6651458.29671177,24088628.43924687,9871159.54470415,4159287.412273058,34538165.44940694,5335927.323906942,9765872.507691776,13318439.41733645,18715115.98551197,30270957.92168137,36884845.84896441,86857255.80846849,63101952.11009192,27756362.94479694,6999002.439504214,97720437.82232992,23913951.95521711,30593212.2109415,43033724.00912234,134229119.8623717,6697973.672556405,7048640.111852289,26970510.81225912,21938624.39144833,53039911.30170612,13302981.59186975,9498315.955789847,33681679.59178903,16868655.66912914,52583391.76012618,37657476.68124498,17250443.69809531,87330921.21718504,60001907.82179803,29298223.3748757,14657173.65493031,34325991.32142247,16404644.19970913,9512419.823977849,8897785.181980265,11556490.01917048,6737839.591970026,32534152.09469737,16495135.66931729,5120282.199210253,62420361.34292688,3865498.812302424,3660568.243136391,21386124.48093196,23382046.98257222,4221240.171430914,25357819.677672,26276087.80530987,27976784.63457093,30661092.22216275,31270021.42142794,30077503.62436757,26176842.34409317,29798488.00127346,28840908.27030972,30024289.18678031,28751620.99553972,29969801.80822396,32010310.39024688]
["Com_1023_neg","Guanosine monophosphate (GMP)","--","C10 H14 N5 O8 P",363.05733,2.083,362.04977,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside monophosphates",192619577.8568008,12332072.73400243,2919334.870472316,14282366.0751419,19961430.44578168,843699.3413106682,11719527.82701049,106740452.6589497,13779663.48630391,10821157.90823088,633538.2895421413,763391.364548203,27389108.13124742,18304626.82362912,30899821.07158362,5631327.695248751,2309323.310707874,14285518.63498925,19396523.35736561,1731884.336125386,810707.2506612041,480938.4404507625,2999130.362330981,1311723.668166894,1260514.718188109,1026287.398838901,9308748.79130915,447529.1647896966,620157.286754862,971784.619811219,3069984.28153926,4888747.121532666,5690837.096331983,11414439.67801543,543980.2366206108,9068664.93128436,705584.52786057,7815503.986455728,23098447.55975923,801246.3026919235,697144.7025010573,7677690.776929647,26509979.70688036,10968657.31140773,23592481.88622293,10378019.85148608,105736922.7147869,22209174.88019844,15107572.5520105,52322006.35838552,20257894.02168856,14390037.89265232,14378418.56453003,20103293.42482487,20618492.13720569,24473092.9726325,11938315.65374342,196221826.9824484,3970670.23876432,3567138.647765781,2914054.922295473,3112272.16138719,2946226.32399112,2023030.804956064,2124869.414009766,1741819.569639506,2373208.304727425,1608422.523900201,2161624.448122718,2517201.525098809,1401122.520431923]
["Com_1067_neg","11(Z),14(Z)-Eicosadienoic Acid","--","C20 H36 O2",308.27094,11.06,307.26364,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",69876433.76386403,40052563.67316397,103641295.203516,13274213.03840898,65684498.52458049,17266953.16702319,52657187.49631621,26816483.94155818,39705745.56890452,24403213.89697496,14296453.78693965,26779861.69869693,18472859.13860394,43693678.57102507,47620756.96005525,27901934.06976153,14775121.12269765,55725440.71474193,43673809.23237018,54419286.56324451,31657899.44160596,9227163.323626837,127275152.9638861,23348312.93933485,62838867.22506677,11048919.74365842,84656359.54669504,1953401.659390288,11354408.75334527,54469518.42547305,34601750.24686122,45371959.66028744,37261264.19930453,33498921.9447974,26751666.84880916,42792279.43579982,2817753.762664436,33289350.7005448,43558757.58010645,1596507.409196728,17420757.22625064,25481695.47803131,26774926.9546897,55822084.9758708,62877953.83795399,56454285.72144224,51506319.7205976,32023153.92330047,51472083.09771194,87379663.7930358,59524043.47683442,40965025.76646076,59645763.08760554,72811478.61619723,72973702.35889004,82282555.98779719,93622695.66406526,37384002.97716874,30029856.4405615,33040489.65832936,33626628.87117282,31630215.42361392,27551129.18481629,25251333.69853732,20912284.88294629,25095853.23283748,20864881.35874511,24180001.48460478,18320937.36550899,24024668.56456703,21739920.51358661]
["Com_1072_neg","L-(-)-Glyceric acid","--","C3 H6 O4",106.027,1.458,257.05209,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Beta hydroxy acids and derivatives","Beta hydroxy acids and derivatives",43219438.00941455,20041091.07593897,19756403.84192996,212827057.2987944,28239997.37900715,52969381.37657885,6408015.616357745,11954953.63384725,60089465.86840327,74307694.30443023,69322123.81396106,47301193.28572959,10855577.41485723,14395243.17097982,15918120.78758245,45349840.44571399,101040744.9697307,67763306.85437275,73052921.95341298,30637747.3702007,28749347.14579572,7640961.542090546,12250693.55032972,7365034.395936088,6857939.842497923,89642631.89375429,10638857.69739609,4258981.460451822,10116901.58607752,14159237.5799077,12918415.78736336,17252814.31682803,16296994.8875691,4459432.295430159,22484788.64818661,3182583.376028526,22635094.65491436,22574840.96472803,19323776.45952127,2609519.129505545,136375991.2357017,8298602.166195316,19803855.28212349,75362500.63219874,22735620.41105245,14964797.59518154,38963803.09265101,14136313.24923031,16440978.48328702,16463296.86332236,13108955.54106928,10761976.75270497,39939620.82853731,12950509.71432789,9049069.26896396,17374074.07086545,20817495.38613265,970410.7865234332,33622643.2719581,38748060.11795665,43325925.45244917,35485424.3015322,40234263.90227068,39671624.1227534,26060608.51602374,37332403.11922782,41033077.73907661,40521939.99150575,26022009.14154302,35633226.26581721,30272438.86219146]
["Com_1116_neg","Mevalonic acid","(R)-Mevalonate; Mevalonic acid; 3,5-Dihydroxy-3-methylvaleric acid","C6 H12 O4",148.07318,4.677,147.06592,"cpd:C00418","map00900  Terpenoid backbone biosynthesis;map01100  Metabolic pathways;map04216  Ferroptosis","HMDB0000227","LMFA01050352","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",2104803.366629794,2030630.166726789,3696149.755899957,4946394.079826647,1644680.978284261,3333961.933090232,4142399.971011751,814013.3323466853,3711247.962542657,6868822.844249901,9801903.44782872,46436018.83565032,2331211.93530138,502101.9120137902,1114392.256930873,3701089.790861224,141173449.8512141,21268324.69845488,10261673.10972712,25337831.92383404,36201779.98197689,48885360.29267467,1528378.359769792,52052666.34357678,7181182.474592272,35975537.24917979,3262263.846010151,59717953.11778979,48676457.1650615,44248502.34397063,29169128.27861594,18058983.18210778,4228145.570490775,1878810.115943624,61066401.14270294,4068886.654933829,67952063.1060589,7623417.711146216,3694608.785846024,48046093.93317418,61412654.39116282,5526103.107899805,2326527.769140638,5303151.035311366,2852633.213574152,2106220.545573008,3644092.852568419,1770032.734228532,1370191.225065636,6224614.968744923,2564040.896554161,1164871.014686203,5836892.670972222,525605.4046062862,812597.8886791527,4872991.559234737,3416042.530095343,1038120.600927154,7620739.55471633,8614640.488828665,8720988.906196216,8578109.034753907,9415701.22349526,8621989.969885357,9570159.487872632,8522066.78256585,8872378.753233017,9620189.71737565,8358651.256300639,8453935.808671124,9481146.02490922]
["Com_1154_neg","Imidazolelactic acid","--","C6 H8 N2 O3",156.05294,1.397,155.04582,"--","--","HMDB0002320","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",26346051.37881813,6185792.755240814,42077930.36820003,13966900.2783466,17653720.01381493,10965034.84037529,13956443.06825532,30035965.06322438,14240058.86702721,79973406.35499504,39555745.64423646,61682313.38793938,12559019.9680911,14377954.66188295,13035586.39582171,15797991.62028473,26078737.53961962,17260647.95151463,15518582.02020257,41714767.38147763,53204655.09038326,87805246.27201681,13809027.12220516,88124609.79179999,35361048.50361361,23756712.18496094,16822489.38490306,94558851.73748612,64851594.90760692,45130734.08662346,60869583.37962613,32154250.59460491,30820958.51963277,16747070.33036356,78600003.78719647,22192463.37987402,108817596.7916323,23219957.53282023,24297382.48889901,150436271.8755027,31206931.79940083,12142478.09432409,25561376.46124924,17425527.43651146,19358122.82055151,24408536.31118811,22731856.85111469,31801746.59024286,7972183.090350327,6060405.996014823,20190073.41173474,18474830.240293,23944389.39665237,22382514.09351284,3036409.897614524,27700066.59125812,15177871.95976356,1450194.155495312,9827165.35379323,10414223.51299998,8714173.743949877,10993005.79336076,8915834.22302616,12639776.10218758,13463871.51307102,9568792.825423049,13405106.63444835,10234064.1329899,10744420.86177779,9320736.23006656,10773365.55007156]
["Com_1158_neg","L-Asparagine","L-Asparagine; 2-Aminosuccinamic acid","C4 H8 N2 O3",132.05297,1.369,131.04588,"cpd:C00152","map00250  Alanine, aspartate and glutamate metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids;map04974  Protein digestion and absorption;map04978  Mineral absorption;map05230  Central carbon metabolism in cancer","HMDB0000168","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Asparagine and derivatives",16817723.71537815,24849715.28344506,2419346.899438176,2161061.550810629,2973214.352257901,785375.8822747127,2666373.577623833,33804760.94101852,2660927.081944671,6825962.625805675,2216567.56085013,2807369.513265623,75788827.54150905,94214992.15702777,62604065.32592759,16968596.24754766,1099999.54805263,2408080.868857943,2868941.729433404,4820265.164093857,4140799.270074649,3986278.096629464,82153140.84448564,4423863.960036254,20801842.63566317,2122960.737124202,115835662.3579281,1043021.344612598,5080067.661779759,5949372.830619356,6695067.930155867,5118483.194286007,24536189.58402433,28070084.1255838,3324461.381715777,29578631.5982306,3588715.014036235,22008737.42599658,22665331.10344046,2639425.766657088,1833677.271647684,1961252.799645656,56195483.09523876,1870159.97756678,2294153.087141865,17327054.48565731,7601002.222986725,32354784.83947224,27501158.45567704,2368515.811186936,9936130.42678686,36572814.18549036,11892708.95805283,49688713.36707813,22698488.05498611,32850313.30156677,9585592.566646002,25012376.81997043,6585574.56753747,6221762.202016619,6858203.925323672,7830846.486482482,5689302.821900656,6623659.035233818,5652019.7043532,5924304.741785361,5274141.616694334,4521014.172971793,4853352.97113697,4608733.728647182,5021978.961618579]
["Com_1159_neg","N-Methylglutamic acid","--","C6 H11 N O4",161.06825,1.416,160.0609,"--","--","HMDB0062660","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",18067322.30958116,71937273.38093981,86149836.51987313,36743111.81018437,11303575.02223177,14714248.91187842,29354083.18608233,13197969.87799078,17821077.29002446,76111181.19182928,93464726.1538318,141454906.6643868,9670294.04063892,8152736.221766498,7931798.932249476,22763952.19477968,35932948.64766476,11351698.64109899,53622399.32477371,20526033.3194649,10410807.50632301,25949712.1886121,8319704.85270209,22773158.60308216,9938597.178250551,30922000.1585728,6616521.584684349,13290640.99710468,10705403.26275325,8398001.737223232,11402225.6748037,16509257.52359947,9391719.41417833,11274761.86944484,10216388.49600238,10087160.82041537,13774091.38411332,8355956.720940193,7693209.057500332,8783549.687889915,52577959.76565818,56925149.27537184,14837983.2096163,25729124.58677259,11414561.34615418,20416304.20683296,10352771.41286751,7784013.619232697,19024644.23881081,44291503.28565726,7736344.234747923,5300131.542569017,12250526.11957375,8689897.493050804,19916006.6341999,7715677.344958836,9965052.943917828,24951066.08276161,9198513.02767641,9377388.008692326,9654602.77527344,8908759.792816106,10322927.45433062,11175088.69452204,12796991.50883874,10506000.34842726,11751168.37378074,9162012.900762612,8069986.157608787,9659088.583694562,9514119.90102454]
["Com_1161_neg","Glu-Glu","Glutamyl-glutamic acid; L-alpha-Glutamyl-L-glutamic acid; Glu-Glu","C10 H16 N2 O7",276.09529,1.444,275.0882,"cpd:C01425","--","HMDB0028818","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",40914210.06132533,56772362.93568075,25471186.79456186,67186018.72069547,35769718.12507054,23352663.13623224,33740691.95849689,44683664.10234887,57391172.49241135,48332573.2138292,14592643.21810763,13609330.23886355,35687482.09566094,22999485.09650755,23889395.84649242,51508034.62782491,29610939.58455893,34668940.44317865,32960653.68079475,42178752.83988851,41193584.63175256,12571518.79680559,60862025.39775783,38634042.24883473,139918590.7318763,19650556.34741033,36324880.054019,8682001.762202807,18553750.18633096,42767003.85925935,48389298.3519018,48398531.23949581,17374109.62260344,12969514.99028743,25490971.57970932,17600416.49758898,27626019.45630142,31482841.71847657,18604924.76812177,11152097.32842334,13661396.78171758,30187336.88065606,35750226.28207982,55832570.93649901,35795365.18104161,28871163.0164492,51176595.4847054,34629737.20856248,29965246.02738999,52597218.70012356,26181416.34339324,28104217.26262938,28538794.58529757,17056191.518532,21827509.26016564,38686792.23840518,28114352.3456034,28940365.13459093,15946607.1582916,11522355.80892667,13428243.62236827,12503268.52972985,11593735.24668932,12043160.58347123,10620200.27617613,10271550.25394916,13826907.79994083,11951343.89650116,11572477.39186913,11654469.44110939,13447342.71246477]
["Com_1162_neg","LPC 20:4","--","C28 H50 N O7 P",589.33664,9.141,588.32922,"--","--","--","LMGP01050140","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",44587395.69356576,4036703.029799922,4670985.796120298,282338.5457923009,13782219.940686,172960.5048345992,13261874.42923657,82165308.82814142,4709331.626965667,17292890.46827834,2064475.095778454,507593.9105401163,57459205.02378882,19458812.95516496,68393178.86838885,21835232.03588211,181835.320446782,7706076.360259003,8025411.499609511,23481353.45761817,6292733.180937814,6558919.513533228,3879148.090573558,20482570.00114368,4458153.270465959,1163459.404035237,2997591.558465987,3505050.365995974,2963215.575141927,7896318.326179815,16576587.73845269,16741138.25840243,32671698.83897715,24592246.96935751,3752800.583912085,15458972.45716114,1599518.835599017,28853136.96235108,58159389.39750255,5969975.48746856,1765387.854087935,4919426.530249222,33562350.41392692,3023760.950375661,14832127.02375857,21433700.32700666,23455948.62281033,42823272.32690485,35720853.16711255,28522014.95334602,16488779.31377622,28628203.05897192,26205313.99128606,27522518.48605016,37380158.75295566,39955176.96893376,21322354.10678849,39542504.2448786,39266186.8346319,35823441.29881167,38586225.26926439,39766947.85416594,36518811.07385411,38951948.9693528,31757231.08649772,31513566.32320817,30873129.41464568,32801926.43333622,26454608.30110477,31240662.99099203,24331683.50775308]
["Com_1166_neg","Picolinic acid","Picolinic acid; 2-Pyridinecarboxylic acid","C6 H5 N O2",123.03163,1.988,122.02443,"cpd:C10164","map00380  Tryptophan metabolism;map01100  Metabolic pathways","HMDB0002243","--","Organoheterocyclic compounds","Pyridines and derivatives","Pyridinecarboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Pyridinecarboxylic acids and derivatives","Pyridinecarboxylic acids",16052375.73270879,38764639.11933015,118546239.0027413,68837329.15764473,58609842.47297046,77747425.13470176,92237866.26724504,17776609.79055597,140407195.9335341,98565542.63435878,73420892.16822346,58719905.42279722,15775058.40185335,15145475.7837435,22553058.36101238,69395151.12297177,101799117.0098161,95892675.88442722,101304051.1664112,72847147.7817492,95756121.02956304,71359216.06083451,18731991.15960824,89614094.5148062,41631864.6330349,100224752.9759803,21859565.57747554,84334895.0418286,123678436.1181089,105272101.4910165,76208630.86712237,109661780.8639626,35006370.60634775,23165095.18360951,64245789.50206234,45989103.45220264,93708368.22372566,99281438.0757102,62890538.60540933,89287211.80881521,126879615.9290863,85164853.59711258,15611776.9568823,88301864.88081053,64161376.99547897,46391981.54432663,38902221.06390578,24233105.40281673,17017651.82256836,64634449.49229152,52573981.80310702,14626561.91932482,61097297.32907158,15426977.84024788,28479269.78390275,85107227.20970602,91249112.05184156,30060175.96544044,54117337.1803916,42480650.93513466,47203662.51609796,46718100.53570438,35980418.87104478,36810904.89643736,35114951.82553174,46955961.97341271,46063410.16338076,47126762.51977417,48007867.68540265,62447641.84072624,59939890.78860288]
["Com_1198_neg","1-benzyl-3-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione","--","C19 H16 N4 O2",332.12554,5.367,331.11816,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},64422.49082626708,6285607.888275076,148606654.6174367,89282052.76892638,4007831.784990676,124123007.2953579,9211885.45760609,59280.03930965367,24745430.76974421,12011655.4088747,49675725.86346677,50522074.16203746,86930.27270823698,51551.72580911892,47386.91210132084,2820809.935580236,40044190.07455669,3269003.803535884,10266269.59819267,367388.5322052761,538662.7910129246,779167.4398643544,112568.5234869096,582402.2796913463,244450.6284910244,33166946.5702064,105655.1884094576,900105.9688971159,623209.1229771408,538298.9176935359,477347.36940979,396158.917401148,103116.7284994539,77417.87905570261,600277.128980011,100280.6217910951,518253.1187279935,168796.6388250127,105543.3432020384,806133.5505366195,42108500.71647881,19674860.55904056,384817.8562934918,43872468.73763143,1241637.308014735,335618.2318688756,64551.51410783983,54970.27112826662,342489.7160623106,4413284.364106048,767831.107524894,126945.6824354723,7187861.70306651,57939.912479922,59357.8133028068,511831.409244863,2261233.223933108,64238.81793202362,6959828.60814063,6649799.633691907,6236761.442670831,7135546.149456628,6477659.4974644,5944622.898656605,5879192.300663712,5043255.819350534,4957720.901717597,6556173.355090069,5210680.15118265,4793329.74990772,5318923.288556184]
["Com_1208_neg","Uridine monophosphate (UMP)","--","C9 H13 N2 O9 P",324.03499,1.993,323.02777,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside monophosphates",94441294.76740596,33950834.08164777,6630178.48309526,36452542.32437472,52886909.89923696,1764888.322531414,39588868.19446915,59057001.77920972,43997805.57004669,45129323.70114063,1309812.439323832,3011615.312196737,113225393.2844582,33879682.74137895,70496569.47324435,31126493.92131522,8401950.978315178,42104058.30608778,35578185.30094575,2026043.98445702,1797787.251442392,706993.1177453485,6231781.305882965,1203138.331452797,4142266.473055419,1555621.245116166,14605709.91787287,548994.9548451683,826412.8525551921,2511888.742898639,1326156.157955633,4245192.750340068,12845372.61176939,9718910.977301242,1355919.446552537,20671307.31514401,790555.052560147,17833801.482972,30928792.45874349,637106.1858589062,1292309.763123524,9305492.837904353,35331628.05362803,39442709.80615905,49573713.00844723,45323408.77135509,48389721.73077235,76930665.9901547,16115961.68901148,21921228.59994192,42058367.64758206,36728369.17680769,27494799.01381952,38976624.78682097,12667291.33330597,19901131.64686343,29549605.09464164,16861422.09023207,18113858.7415759,16298359.49414825,16844676.19763297,21530600.39838786,16879086.01646387,14988609.58705232,15686944.79461885,16942130.29666369,16178047.38841473,16567884.35395326,17013934.56824845,16884126.12605759,16649384.47145213]
["Com_1217_neg","(±)11(12)-EET","--","C20 H32 O3",320.23443,8.354,319.22733,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},79651347.94697297,27278307.06091976,5723528.556489432,11454755.10541279,15219848.24064145,1635915.164240587,16734913.03791901,45646520.11792343,10911520.32694991,11016044.89423302,6166164.77723832,21139666.33597569,48789872.49552809,98984094.44665173,59657675.13109053,12843438.1537574,5742840.234177338,23113189.72923198,10794660.43967742,25109625.33264473,26075413.05328536,15112299.55283771,47195125.93140442,9730957.52449232,22338466.99487952,29442354.35021153,72209010.01998566,12968461.31518562,10376511.24421129,19359412.92419806,16666841.71259117,34869951.91187933,25105854.93504561,23672000.01292028,8046094.972821916,65107838.39152388,6057152.255149052,25730350.79583085,42881917.46813437,4827164.000133012,7313482.734745099,19406525.00010311,43055091.78429911,6081019.316448853,24160354.9213627,33382452.54980886,61066713.27181848,61559694.23539975,24607907.96188989,22598867.06319925,27070934.19048047,43777917.89315184,21563464.10138102,113725254.6225652,32157982.40620369,58144677.57733877,22445638.29337132,16698494.01118786,14435772.1783701,13655074.8608951,14053607.63558924,15401487.87050122,18593009.83883652,14413793.88349989,13077148.80594102,14359159.9800777,11774313.56641322,14137523.76916694,12970343.14953356,17489003.2356439,18651419.99869506]
["Com_1226_neg","3-amino-1H-pyrazolo[4,3-c]pyridine-4,6-diol","--","C6 H6 N4 O2",166.04852,4.872,165.04128,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},6894251.222901614,6716910.333707445,4129440.009009958,13684380.78696438,3104589.337544529,4936993.990066914,5844868.043451206,2110490.473704647,7552435.477379204,17427339.72180277,8398095.602577548,9743364.204445738,2347593.902684859,5534528.42634267,2271344.866010789,15177490.60613012,19131848.74054154,25620364.46110504,22227415.43849203,64823549.2149116,72682017.10322104,97574708.66026115,4885447.961029334,74228304.24401528,8139743.30673034,9351055.8422424,2738628.834119667,45752632.81984443,61524089.34179791,52542430.49495896,50550080.47903533,49410884.12294757,17320648.3272255,7143116.49530076,145299858.55236,15461347.08673814,115440562.6563237,12223210.74386991,24430169.01805073,100633188.2839447,12695953.59238073,25237550.74366699,5148934.719595877,10652752.32962415,11132200.88878229,3328681.453462928,7346402.793710506,4264276.264196085,4237226.278634521,11067827.29771622,7586860.216319367,3443064.965487658,26413564.7822234,2059877.368780538,3548147.307856567,7244185.327032257,12297645.22699381,2068885.691421732,19692984.6112789,20722068.0950199,16856072.19946444,22059099.50399958,19395791.23427046,17601656.98724442,18002027.88482478,18704865.53996238,17967618.89549545,20102044.0085375,17643196.08605751,18753192.92066858,18606513.30244795]
["Com_1231_neg","Adipic acid","Adipate; Adipic acid; Hexanedioate; Hexan-1,6-dicarboxylate","C6 H10 O4",146.05735,5.247,145.05009,"cpd:C06104","map01100  Metabolic pathways","HMDB0000448","LMFA01170048","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",9127572.353901746,16298067.50860447,41039312.0465399,42287879.7718524,30601222.35796548,59057525.20657086,15649533.9549093,9451463.28420907,22661995.88080169,12679562.92528876,42963287.31516407,128804565.4171388,7698758.580314533,6902707.852943283,8206332.68186856,15511861.41400754,29110434.83485119,24440525.6371545,32144827.17074592,18779122.9038218,24472075.13727086,7853759.314775547,6431362.637000314,16135522.17483478,7252626.69690972,66629003.33756091,12382209.61690615,14293289.8448919,12463512.42556134,15547611.02933103,16475142.35648601,33790176.37756672,17907868.86403324,16396271.2719446,16384905.78809114,13406660.40074088,14528111.8235706,28401026.10646038,26808599.04450798,32068098.5271448,67783418.65427163,19801764.5301859,10941192.49031558,15263901.33825413,23625265.46656376,9830577.698560074,21556822.38168525,13777871.35317475,12318234.63711138,10342065.2566595,8604428.966468038,11090232.92936465,15783829.60696764,9541359.87486554,9159881.49906891,14644831.18435509,17465446.29471545,12216067.80853485,26930005.4122936,23170640.98368529,19836873.13706224,22906653.00844548,21258736.22551513,20635113.23587759,21584345.94346256,21473146.24369851,24052152.34025386,20187831.33461374,23044051.96729098,30764367.91418268,33631204.33264863]
["Com_1244_neg","LPC 18:2","--","C26 H50 N O7 P",565.33665,9.21,564.32977,"--","--","--","LMGP01050035","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",55372112.0621225,4327344.528233386,11779526.25412512,187976.6272203574,47579655.50562926,71875.19789306329,36641804.27074912,140060877.5900553,4772378.556605242,12853897.11863382,257263.3093879197,64379.52691741181,68090581.01100865,27596954.06893691,77763983.36470802,44409665.81096742,32411.0977970811,7911227.715028306,18566369.52496266,35272840.53479733,1906130.157796457,5476218.491329534,3811384.878589431,25128282.60181875,11923521.75216072,361946.6744606481,3091965.137034684,2811171.038887858,1676033.617768394,5611666.95304835,7387699.529385588,17896677.61624167,28406585.77113958,43573115.59626621,5111697.229091862,15777405.37756448,141320.4425840701,46153076.41925708,123253111.5942627,2185045.104999071,261738.7422668957,831584.5648061486,61610014.37082335,1059686.893296238,65477929.25687014,32703911.50223107,66190374.46759277,94503911.59183031,60960097.84356283,44020268.93349221,40400726.69047811,26020709.88797088,29169459.66688764,19579743.67842384,69355695.0788393,67684416.69913018,31448317.77213116,88259002.49980877,31002204.2937445,26975923.87062472,25843785.90748199,26607397.64943549,23718916.33427023,24016769.8286927,22186485.77819062,20313335.28562726,10760445.04035943,17702015.48341349,14509635.11795939,17657399.16438378,14714268.45686513]
["Com_1245_neg","4-Hydroxybenzaldehyde","4-Hydroxybenzaldehyde; p-Hydroxybenzaldehyde","C7 H6 O2",122.03638,5.512,121.02911,"cpd:C00633","map01100  Metabolic pathways","HMDB0011718","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Hydroxybenzaldehydes",12977383.13616331,14926519.77685519,33266943.15919827,29257084.79171598,14168278.38736111,52440482.87342163,21027998.27935326,13374749.2186863,21464629.99733024,35877972.88939287,90698720.15631874,93902163.9950362,14873842.17232658,11427779.8970114,9353031.716641778,14099042.16842728,42610484.04454295,17044449.41736249,38595305.90856266,29516615.89097212,38030245.4607847,26000149.92019353,15595505.43566077,31243450.47810397,25658790.06841066,90451584.05290504,14204242.95547888,30222811.90102193,37990613.16045067,46451374.00523914,32040559.91494784,19049768.69702751,9878831.905032106,18933646.62253553,21830584.53640331,13343075.24952069,20453049.12862857,17385680.7267221,17478574.41422793,36600264.45334366,77798275.94600858,27457016.66149946,23512343.923525,38064803.46702696,24723144.95255005,12003514.06679601,21465727.49326353,15344989.36144424,16486282.61225168,15587578.2625219,12112085.1671795,11325366.68528804,15308624.07796201,16036394.32931696,18313297.20576189,17017852.86605967,29548618.14542861,13686403.36271159,10095057.0634724,10870657.74796213,10057259.3515443,13339563.99379813,15737763.00945243,14632731.09333307,10258889.28575689,15452780.08918764,14887504.78979272,13988544.67252073,17818851.17973721,13937000.94948198,13824955.61893146]
["Com_1266_neg","Lactitol","--","C12 H24 O11",344.13136,1.417,343.12418,"--","--","HMDB0040937","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides",10989618.10293577,17413530.38310423,51921729.04469116,16084406.07841907,6911681.119590878,21675412.45397261,15292891.65263541,11245795.15794562,13508549.36878077,20334081.02042733,68512486.7363037,123619989.6549111,31406217.92651125,7237254.404347547,8942181.448010035,12703356.42487928,40444388.02729661,12280773.7233836,17732965.50966939,29149796.82306313,28613692.24571786,74063039.30744843,17297392.47985847,42019872.60871962,32555245.43773148,44632646.08784997,14341144.04815858,73911438.493897,36170374.55095397,30530114.73478715,33755913.83935409,23269092.06884401,7711049.224404405,9314148.971028391,27555265.28307904,15157131.31060223,26485850.24084306,11176717.44943435,7100124.357361698,43431076.03034769,74374729.43100588,26462281.42114544,11933702.48513224,31285372.78734113,8527967.743653022,7014902.506851173,7866359.662717929,6057351.532314421,14788549.37222963,18189985.62919945,8683028.502918512,5838134.121426501,9212730.29178596,7515598.533525019,13798861.90808103,6485040.325146425,6260344.709625474,31631097.86193011,10225400.5583509,10360506.3557285,11188310.87738718,11219599.18643169,9405187.49988667,10760980.1299086,8331185.375382966,9486253.375635376,8707863.394959813,9242723.218567064,9653547.86118806,8087189.633874835,9431496.379855812]
["Com_1282_neg","Ecliptasaponin A","--","C36 H58 O9",634.40767,7.76,633.40039,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Triterpene saponins",59233.29012770591,72859.116240014,212820.6405970812,92798.62450968736,69931.62067301162,139992.4394134538,116766.0846380247,70342.69516441238,194580.5079296071,1003789.204649087,314650.2614774301,563177.4003508547,113286.2984960105,44115.89736502672,52366.11904331697,112369.8299812984,195949.1836007013,45984.01851347279,97792.51042766044,1298537.197045656,1007831.151216922,444544.6589744371,1463423.161530995,1466780.258860916,2247535.016895714,223627.1797693053,522109.6991646263,572373.1634185612,1410526.217790685,787215.6824604179,988879.4616304132,434902.8799771455,62079.63669672289,72601.17772956924,185592.8386342597,145901.3087699364,295936.8648073905,160329.8361100593,102245.7672977428,127853389.5154776,454426.7442750988,122778.6759409242,88592.61037336403,111620.2667855026,68266.77412102354,47509.19114674415,87407.1333385838,45172.01661718304,70089.64620262735,64098.21616801237,55093.46636141825,47822.00986640812,126377.4602862291,39795.55758101689,59365.89935517316,49157.53019857311,46694.14900128611,1126306.538190939,1084360.26304276,3014914.406598342,2416560.033792668,2306870.973378948,3044484.406156834,2231575.19488918,2297922.007510155,2473291.076544556,1943975.044893821,2507066.219354603,1546052.999954726,2160282.467302012,2634741.436764542]
["Com_1283_neg","6-(4-methoxyphenyl)pyrimidine-2,4-diamine","--","C11 H12 N4 O",216.09922,5.51,215.09207,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3668818.696104626,15768450.0852724,72301211.24467695,46167945.73608925,6889500.283425592,72953237.61886849,21975376.97933598,2265294.325006123,27187169.15762,22545548.0440136,89801824.56372558,67399789.96848896,3482841.90621585,1359837.666105428,1097006.69469607,13405526.24675367,49662485.89899486,9971766.729295556,29388543.12661218,35709768.91609547,54158594.45355943,61491544.18841018,11216637.08548316,38063428.55397521,15651391.26092761,60444192.13329247,9062796.14456702,68930571.55556193,45152612.10019972,36878187.38054116,106699568.7668072,48173798.69766466,9021041.91118354,9258180.362387516,103491057.8504053,8506891.386843357,92044776.70469956,15653094.54287902,25239252.67801359,127737714.5732094,109008205.4741158,27097494.86952744,8613085.562897418,50203212.2479564,13153212.07223454,3006363.717803915,27778942.94488953,3790799.769239356,2888510.205443185,10911061.75617198,4011315.180666585,3025483.314263823,30468181.76686724,2334620.245859548,2660114.69697802,4794598.141977957,13566311.15391792,1130908.388387001,17760808.6943023,19024959.74452237,15741847.75107985,19150540.92363927,19866729.91243502,17951780.0260432,16909270.79747383,18500401.51413437,14362231.29578466,17875153.81835561,14190432.52564958,17990782.95159895,17938571.84209152]
["Com_1300_neg","Adenosine diphosphate (ADP)","--","C10 H15 N5 O10 P2",427.02865,4.674,426.02133,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside diphosphates",9793001.903835258,5183095.38817036,3521602.226133718,2192653.749873841,3884516.138260071,3138499.534873267,2658311.085276307,24994260.82927517,2367048.931725005,4195038.708873309,1909378.961018525,1696913.071006325,6784700.210543024,4961771.242662011,9575302.454961484,2621121.41088772,1318507.791603681,2284317.884491788,1242465.310685301,2793747.037651001,1680601.243896715,1687601.650502891,1343773.780236875,1474786.256890407,2292792.097361512,1762406.884846153,1133771.386503896,1290190.145744675,1428371.172910662,1113532.996268228,2688857.350303306,1876763.857545352,4898942.586032145,7170864.560810219,2500542.945196877,6419567.284047555,2958683.850419725,2079388.225127002,7041316.33492008,1050933.224253439,3045699.657757614,4063373.669350918,10774376.80987425,2221154.42470594,3843534.837917206,23203455.69542828,22105371.45441286,49237635.64874082,9529942.191257644,5755485.315983336,24531904.48589701,16105994.6438903,14294782.98268542,17276778.2191365,23200958.65974844,2462618.529998821,4120273.05668942,5413362.865022717,4817292.72179261,6731608.637812777,6651989.666684955,8868940.255365292,8233972.803043428,5520272.117322788,6425226.712143758,4619934.267461536,5206985.636878417,5904351.10521108,4821527.969664936,5189590.545663311,4325097.599201971]
["Com_1307_neg","2-deoxyglucose-6-phosphate","--","C6 H13 O8 P",244.03415,1.797,243.02696,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","Monoalkyl phosphates",32131105.1829456,43620480.10368908,16497721.66310872,26471460.99454627,86070926.89971365,5781295.81458687,69965669.36576298,25689694.77184927,57944329.65886774,20201371.05029405,10929272.97805193,24288536.87761594,44195658.29061197,106516987.274523,107935436.0501484,43809194.14252425,30777340.18023368,29082927.23599404,82734059.18347582,14181281.75895005,15565917.53968094,8935453.425891375,24234605.09111751,7363680.578002604,15355631.93272042,13832041.4637209,84220514.61504132,9248087.920476198,10187359.64052594,11334817.18795027,17043551.47734936,19873981.19862126,52768723.56959551,84283158.13313925,10760348.78813884,84836675.5611705,12441768.07459856,68099125.92231244,59970131.28744798,11891017.42330052,11491173.33862133,37397455.95689923,36607587.39987035,27236444.21982785,36732444.30148365,62707061.88190243,20218101.8976883,46770344.38970203,45154755.91769792,60341451.34960932,89189329.0270953,41113689.53613261,75473091.61194098,74010484.94321309,54768600.09499865,43532421.52631383,92994395.34440117,27097367.90319615,29310435.5213894,21881452.33241646,25797956.82380661,24145805.07944089,22399009.7361194,22223721.07106028,20648106.21909365,21688046.08131842,19712016.09651631,20585992.81701701,19939703.70430061,21104323.90851979,20337267.65858719]
["Com_1329_neg","D-(+)-Arabitol","--","C5 H12 O5",152.06789,1.358,151.06061,"--","--","HMDB0000568","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar alcohols",4809845.781168253,3818941.46274033,3915804.87575182,3071572.394254622,7212918.594385743,5956129.137908451,2826743.967510623,3650586.134903551,8145819.62495886,3851231.407658412,5513533.065403143,20616557.77602949,3151074.153309062,10123063.69901892,8137909.478795102,3026791.821094051,1606479.426210441,11424711.0994326,2719005.898871135,28916862.32620018,35315319.96218966,100979796.7728913,14016782.9844236,47317399.80767644,10256680.05151451,24081889.60162503,10026844.79383255,86000067.86891861,75937557.38962919,28528885.93766312,57533715.61246187,16308896.40856411,15183107.6910308,4509622.549117847,60102107.84487621,4775021.674322597,47296790.9480793,24205340.98691584,14861390.00279424,65064209.33372016,18698820.64776377,2307431.143623594,3370944.82697976,14742438.99698009,14097659.77327294,4140358.300139074,13764999.00853436,14655595.00356932,4245002.227093857,3476885.641645628,13203467.28525355,14462065.35496503,3056595.946525616,10604368.47579979,2261095.023276567,14101277.97783256,12051167.15196919,1911795.867535164,16673446.2755736,12621474.29386862,19364431.38861333,17083327.45876602,16397943.20755938,17330519.70255382,13767988.80292013,15987990.08613721,14919784.21738187,15371024.0731902,17875987.59264292,18895963.37792588,15488672.35941481]
["Com_1335_neg","Prostaglandin H2","Prostaglandin H2; (5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate; (5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate; PGH2; (5Z,9alpha,11alpha,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dienoate","C20 H32 O5",334.21373,6.311,333.20642,"cpd:C00427","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04611  Platelet activation;map04723  Retrograde endocannabinoid signaling;map04726  Serotonergic synapse;map04921  Oxytocin signaling pathway","HMDB0001381","LMFA03010010","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Invalid mass","Invalid mass","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",12640112.68555285,14039090.74904143,59812758.53363386,85010067.83658503,21716012.05525896,47732622.2762133,14744482.69089172,3461507.824197265,53320422.97992669,32136623.04731677,130546432.8874913,28014764.17998933,14986225.51889602,3518190.207984608,1458859.829703742,2279683.312149995,8916655.609470928,5349338.216718472,23308538.4535147,1819659.371553478,3073879.750620659,2623674.170352691,986535.056283478,2318819.003170166,1666865.025190886,60806531.49348164,2408816.507030907,7659401.951795159,1941017.655884568,1730000.374946744,20154531.75155061,13092095.15924942,1402556.239061048,6862619.30463238,22963842.20192854,1939312.042544838,19575752.15931914,1183333.060652766,1365603.671496309,14331453.57738237,101453152.8162298,35595057.34073934,15364063.3035715,12327274.99404376,24487723.87700288,5389330.717857085,78039588.03757921,1372387.664447347,6012378.058787,8881534.88181664,9525008.42020608,2782960.163564692,10881269.11088518,6062166.870159034,2893188.458053501,5567684.646160549,13898910.61256231,1075270.564000566,14616250.8660559,11778422.36972368,15046546.89626852,14290385.18172842,11673793.27677878,13112730.8109211,10490863.30646056,13412903.10756668,10178062.06852458,11332047.25080452,7126339.982781868,13802331.44259621,9884376.18405729]
["Com_1358_neg","N-Isobutyrylglycine","--","C6 H11 N O3",145.07335,4.907,144.06604,"--","--","HMDB0000730","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",4004775.579434333,5657426.486112083,6098725.116762827,4481501.764468938,7410192.805878844,10788703.10884862,6882725.583035395,8216415.706788032,7067769.821687225,7449417.549890589,20979003.67825118,49104781.22404379,2866563.030485645,4984705.905259906,4502683.831847837,5347662.562287994,16506424.09995116,12909233.39204106,39945169.38968212,20190606.61808119,27294881.77265502,27063977.80930561,13470966.43911359,29787385.35639121,6762140.612959603,69091970.16967101,4165129.703113433,16639502.61548869,26932604.3479671,22516199.05410298,27620488.58785311,23640513.53026056,6947379.802656094,7237817.506401032,30259418.11941737,25221947.71754881,24648798.8032795,28714911.94683704,26040220.22234063,15697082.20560066,51042488.78242488,8339358.25302967,6677091.017136652,7865960.696314514,10623094.59801946,6377964.451155489,7552552.7155137,6680087.882137911,5189612.615838989,7331686.676963227,5018998.602182268,4755756.291437403,5595470.905010966,4725660.720246516,4931510.306022768,6935330.776221314,6339833.201377095,4767654.194967801,26368518.9806459,21104040.5411881,16603034.39491103,25316850.68036234,16518148.98411508,20852912.34505938,20211844.58068605,23026812.25481636,30950885.61199384,24413504.45564301,18338687.34936944,22915797.80980376,20849028.72234352]
["Com_1414_neg","Itaconic acid","Itaconate; Itaconic acid; Methylenesuccinic acid","C5 H6 O4",130.02622,4.944,129.01897,"cpd:C00490","--","HMDB0002092","LMFA01170063","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Branched fatty acids",34253863.5530136,2373116.304390228,7349947.16383891,2053585.545264885,3086434.452803558,1870112.329983837,36203118.42660905,15916168.72815331,17274003.96129741,1341384.40464444,1661164.73867464,1941800.41297444,2365790.297997834,100970410.6060826,88185303.64860906,7147962.497117998,1615979.373295108,2288505.756967055,1776316.003585376,2481501.871530853,3409433.02974595,1543990.145114659,13486002.26926332,1973151.924746328,4562960.280974981,1642324.370272999,25165634.60603249,2054929.602618869,2258023.426496413,14700649.08634132,7418579.303283477,2030898.657069024,86917877.9585664,66740633.52091462,1621281.43913153,10374029.5240074,1256725.404192819,19903793.34707937,13404627.94803385,2985607.05990929,2302775.357527909,2660418.904036386,1989914.17931728,2245770.561118553,8499204.48757463,2458306.018685413,2440310.623438674,3690500.465808911,2259141.130689043,50524052.1455248,1809612.266586353,37268532.61634276,2458413.086001009,1995120.841916436,2334769.257481525,3002610.431249269,53624557.00170256,20224151.94327164,5294276.58001846,6076746.329133125,5714784.610971895,6284723.40034438,5594406.650928843,5158704.819666377,5504128.351244785,5642556.52342004,6386748.252599244,6256738.570528125,6456994.037473549,5316188.431480023,5248096.588910417]
["Com_1431_neg","Salicylic acid","Salicylate; o-Hydroxybenzoic acid; Salicylic acid","C7 H6 O3",138.03118,5.373,137.02393,"cpd:C00805","map00360  Phenylalanine metabolism;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0001895","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Salicylic acids",2869333.444753923,7835726.450583451,34535831.27484493,23219712.82928669,5501100.313231261,28606291.13162912,4130348.098894215,2510595.331230665,7306739.237545256,12141145.67372245,28218834.17711332,15183052.98189761,931702.7228161526,954694.8438717864,1256165.940296731,7512872.105105807,16880989.91499002,5585003.018326021,5716318.180489776,28221591.11853921,33491882.83189755,12049554.24192288,12596130.68581701,17386386.76531931,6995454.192022924,6808963.46594107,10591986.06042142,18835690.1312855,17998823.71834488,29356219.42545136,11970507.59685572,13940868.22195626,3711033.669754118,2943492.748517797,23791947.04652769,4350472.411582144,33778461.79241605,10445567.04757293,6488246.710447684,111230363.2451068,9432465.744069144,8308506.294221903,2972157.222600198,9002757.090432536,16525917.10170131,1813088.781684716,4792686.210188529,2416731.742016726,1428577.172047995,3304742.781211868,5504160.12219434,2219401.171079116,2733820.387736312,993892.996376093,2838810.931954933,3663315.51608334,2567828.059888469,2278095.206425212,6488965.16651872,6261928.893479341,6366416.861548433,6452543.045381969,7115233.642063029,6419776.360885031,6082405.862446048,5903318.640128007,6416032.323757779,6533267.504643544,6467715.799983527,6024958.241706912,6587945.983731889]
["Com_1446_neg","11(E)-Eicosenoic Acid","--","C20 H38 O2",310.28666,11.659,309.27942,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",41455709.4139779,31243128.8263577,43758514.07833983,4372593.871279413,32618800.13174101,5830688.655139413,34001076.52675612,12744495.8728744,25348588.38327615,19471318.63005571,6947264.050250919,21081212.75376607,23912065.30280752,25579857.40376692,28015398.47530362,14755647.55776278,20717976.78170181,30471595.96413176,30751349.9283976,27309098.91426405,12493524.29799875,6466469.861861445,81625543.95166577,16097346.57650301,57099163.04733616,2111458.193760311,46890916.1079914,2468780.708612052,8205145.618444414,31946288.98188144,34054399.48373172,49664169.18759288,29383590.29018445,46744439.72662616,33307132.47594419,31684383.30816134,17204463.469265,24824808.83528881,30572748.03822404,7063365.122478029,15029217.65870964,20926380.79385227,29489562.12462806,33299543.96556404,79338156.49235693,41241225.37192154,45872581.62841923,28823601.83165837,35745597.08713384,81426129.88614808,39883206.19547512,19593729.82933232,48977775.59309546,35925950.01182052,50606215.208932,52387025.14372393,68993736.77122219,20371218.65931086,19653331.4386616,21095382.35137351,20363060.17796165,21340436.55984312,18079834.22033706,16205015.04656543,14435818.83249096,14950144.77008913,14972846.06167335,14718505.85646787,11025145.1657448,16114823.23023007,15310205.67413708]
["Com_1458_neg","trans-2-Butene-1,4-dicarboxylic Acid","--","C6 H8 O4",144.04163,5.111,143.03436,"--","--","HMDB0000393","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match",{"$nulls":4},845728.0833669632,1112679.605609038,2106504.779710563,1894655.485117815,917411.340949038,2591154.10279944,878753.0642904233,870503.4235152459,1516530.412235143,825497.8992142116,2700278.079575393,1240542.266531174,483503.5155513756,601121.914510419,740575.0901607438,808481.2563755916,1172159.315755993,823801.9528933078,1399124.474629749,1150474.606753188,1329405.294394736,832341.6278840683,726641.4694807521,1106203.676363439,641373.623699266,1274248.780187717,478306.1408440878,1168912.456993624,1046622.69975323,971972.690820726,1245232.66091333,1290839.764003398,751620.7715135112,844388.5105383295,1661262.186482358,1103199.874461472,1685894.160879701,1239320.709078454,1068598.760890043,1637201.605680575,1805124.650894701,1202152.927611031,694922.4906504808,1117363.218943162,1151681.229479834,1376821.293079418,919602.2710184796,647193.3625805156,918645.5368396704,654241.7211864768,656619.915081777,573089.4271146466,724085.7301771983,610506.3780818798,729774.541117607,921405.2359654736,669940.795800174,674154.4438114736,2835860.27118354,2814438.660741234,2523680.649108336,2671312.64141692,2946331.034542013,2725915.290665973,2811173.703237661,3344140.936381296,2661846.958797176,2862535.986690501,2409522.062958843,2678667.746443903,3018983.662812362]
["Com_1479_neg","2,8-Quinolinediol","--","C9 H7 N O2",161.04722,5.587,160.03995,"--","--","HMDB0240311","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","Quinolones and derivatives",973162.0149781848,567939.3512648296,20870373.22043813,5057589.401413318,2350508.512290288,25795369.02926453,4835933.859682219,591844.5790804944,9500862.712834695,39205163.58520045,36603760.15710577,99418640.79108655,204301.2254355543,422414.4684874146,505045.3626956533,1295489.877504436,21663575.99407712,5461324.6456419,19218067.81954273,8300934.661282834,11987715.3465205,9644156.329027,1677062.170034933,6533869.416064253,3317610.44958549,57034077.62915609,1646184.463428721,11598953.56744526,7439586.636228331,10344347.19719589,13154899.64228475,5620132.346463893,1448489.047834847,2108044.216432902,19917243.8091684,1455390.981318221,17084421.93347233,3173923.337000249,3029699.59926952,13589497.24103597,57677777.91207299,14478639.2728486,2647717.753528478,4663393.149300545,2014219.316167453,620463.6169582033,899503.6380655679,599915.5614389633,940791.176306988,7434009.784042592,5086425.353432569,516791.1422736677,1625636.071057101,836645.8778515868,765446.6892798194,1050194.488586848,7593744.974900138,942794.190735835,3221394.42271715,3587005.458793038,4289401.135573546,3115487.518793228,5132062.318821603,3571459.341233482,3582631.42493012,4188114.84289422,3469138.965687117,4635530.571829147,4316439.566650541,3219781.075598322,3959847.258123323]
["Com_1502_neg","Isovaleric acid","3-Methylbutanoic acid; Isovaleric acid; Isovalerate","C5 H10 O2",102.06771,5.896,101.06043,"cpd:C08262","map04974  Protein digestion and absorption","HMDB0000718","LMFA01020181","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Branched fatty acids [FA0102]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",12691100.04868353,4347453.185501338,14496826.48206802,18375055.88036088,5723879.56195924,31743345.85678829,38090559.23160175,12543570.95593785,12523638.41736155,17753604.8486722,21686122.04174142,30513513.62851054,80733341.85709414,4470709.271797958,19662203.47330616,2279180.946553349,11813286.75959594,8664605.421274422,23771421.61339837,11909600.61163224,5733469.273068957,16835991.21301411,6173664.492927541,8576658.656096349,10421763.90529526,69389764.02405149,39061890.1737839,15389028.11620298,28591942.44342143,18810268.0111414,13723556.89227782,3235895.009344178,20362797.51228679,49278122.67026815,3154425.708051964,8949092.860043067,8018861.163242784,1793825.096944362,4045721.845058457,19531871.98658985,14067672.75566754,17424388.27496681,52567117.0964949,6951654.181211758,7558575.644122539,11484826.37921922,42495817.71962049,19079887.08890364,7399532.94746518,9209317.34121013,3464490.333900612,25494991.61475664,34932927.80406063,1881583.639301422,1686333.727949389,8651957.318967225,22264200.9547182,1875619.921144731,5124235.01499102,7468374.919277653,5766288.490775706,6246001.244116374,7384266.172245821,5373825.273090987,5756796.215754425,6634603.699283381,6672087.483205631,7178982.481566487,7224031.377817342,8053032.868656774,6934643.947301283]
["Com_1541_neg","α-D-Glucose-1,6-bisphosphate","--","C6 H14 O12 P2",339.99523,1.603,338.98788,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexose phosphates",18641984.99358752,25253118.71669522,14330025.14464832,9272894.967569197,64952937.15365334,1559476.815277432,72157993.98400475,24286227.76078238,32816813.00468125,10366108.91905751,855640.4783503945,3492663.034207382,13904762.20560397,19318326.67922594,17997053.00048047,46503236.54049949,32091605.0785781,12543693.20275326,18419543.13331668,6324164.362064913,11847960.88658845,3725099.358910163,10120339.14782092,8695064.510974603,16983296.5817229,1613465.25086952,8062026.74713023,2413366.222641428,1221435.282056502,9153815.31842552,5990573.013969729,13127203.2726276,8966281.543392053,50997355.95062368,38388298.75553411,42344792.60066406,8955576.761931738,22567661.16796509,38608460.60864922,1321261.521665186,1999570.841407897,23469394.43624322,40588496.63665965,106984120.7171078,52272337.05311123,52425381.11403543,43005124.01428658,42028085.67354049,36847863.21260727,87050263.35964237,34711286.02836367,24027924.81486364,14328538.25450794,12590708.56264803,27428891.17684685,39394089.58183347,50285996.93088314,29144263.3828876,8041124.69252306,10437610.78804303,9464084.695079587,10045725.64640984,9405241.818779968,9109131.54330654,9956433.346831268,9286510.732779495,8606459.732777873,9820941.722353432,9124141.768123427,9165585.127461769,9036767.1725374]
["Com_1549_neg","Hippuric acid","Hippurate; Hippuric acid; N-Benzoylglycine; Benzoylaminoacetic acid","C9 H9 N O3",179.05772,5.428,178.05051,"cpd:C01586","map00360  Phenylalanine metabolism","HMDB0000714","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",2887051.401752257,2360561.585808562,5767905.35333703,2090492.925536281,21025850.54230488,1947764.66715401,12153108.32093445,23158970.58187967,6786305.375430757,1772667.303305387,1261631.49811465,1485598.932741586,2240825.098804806,5250725.4288914,3138967.526601922,4663494.947613185,1500862.169759508,4277764.817833137,5639827.478762796,12499971.35341128,16419370.18170608,1315790.033995401,28470673.77242253,11261042.1791008,10652577.52968667,1285022.793501152,12655009.4563984,1938878.586623578,9127091.67129336,12363830.36381399,10727971.44118514,21203689.44608892,9201803.913621437,12108271.63294734,1636634.148711526,27180748.59443301,5432185.59685637,46561209.10206743,40520285.82027845,80579541.86912805,923208.0792245284,5684771.113646674,8836538.634377938,6770655.359470553,12239420.90820028,7415902.000680097,4062068.430634578,6570193.330549912,11442130.29061159,6609368.033853267,12870782.48840634,11938489.29015672,3605925.140089685,5428318.126717729,3443208.593102439,8866609.260659017,13264995.67606137,10935703.66916066,8307106.06544222,8765808.729240099,9061978.24712605,9500354.4434428,8719057.159554115,7950467.255590624,7771811.843338702,8558785.276037259,7982184.409551843,8836226.207862496,8756434.837220024,8792193.845891267,8570654.233369034]
["Com_1554_neg","methyl 5-{[2-(ethoxycarbonyl)-3-oxohex-1-enyl]amino}-2-furoate","--","C15 H19 N O6",309.12405,5.54,308.11694,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},425930.8092854705,538846.0050445289,2954511.836035328,1380354.936353844,2604942.648125818,4343868.358591937,2854745.126222055,1891804.43084472,1427590.480868405,74087862.14050765,3940993.980236537,3609922.977701126,591481.1958840882,449417.0776537205,328126.8955249169,3398427.559358834,3489582.287204996,1825662.477979124,2767439.941952884,2148024.767458145,3054214.451266126,4523401.336884384,73019583.31886466,5268115.736690697,11616644.89525792,3821671.799303279,18407004.06696285,3689469.993100761,3922702.429135398,2496456.617674215,4443985.489067847,2567675.864789917,6077282.164368882,5453136.81539477,4554100.982123761,3231437.776134595,2345544.69320207,6340482.995170515,6468828.500179341,3109565.506318295,4808996.078956867,1519724.551509424,1096154.891588641,2445248.300923424,7326357.37399085,1114608.475188666,1199197.296724185,628910.3476208511,1511102.688141851,1163804.98032773,3468329.752653881,1294072.170903577,1105099.555162926,1163853.837960985,3905811.74358488,1375904.35574319,998927.3969029594,807064.7594155159,4729367.32441709,5230996.658181865,6633134.884646191,5197271.731663402,5363010.778484531,3559438.5943883,2477321.423837494,3434667.039813706,4077590.224835582,4611731.42506105,5159823.523136073,4905790.398582694,5998249.754764889]
["Com_1556_neg","Ne-(1-Carboxymethyl)-L-lysine","--","C8 H16 N2 O4",204.11042,1.421,203.10316,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},5453922.735282711,7729504.302551273,9974858.546011113,3334837.138844924,1071942.042260363,2225379.22048608,2610849.951697463,3168917.692076062,3503112.434258896,14760991.18981865,4704322.451868826,7339793.74615155,10349754.19731445,1373861.363491026,1255070.082813156,3364596.121575584,2584941.495754543,3046218.935517623,1861030.348417011,21058051.51060552,22988967.4271953,80181843.59600453,2570770.421261644,32747641.81357662,5106389.780541267,3976242.195989694,2375170.630395237,63880148.60836633,24715718.96199254,14356748.61844805,22154678.57758325,14107366.36723985,4938266.124034727,1132013.838500048,33378762.91796724,2909122.441817767,32980067.84550228,3577004.004615817,4175638.146548076,11766708.87092823,2725137.202355227,4924666.325495923,7482271.463434574,2535285.918971329,2753437.396850429,3908644.035094406,1712972.644758483,3279563.964352923,14249536.74518488,12031921.34375288,1531228.091119795,2195581.135237882,4436157.935762458,903886.444069998,8298235.592685025,1307923.736711094,1387224.015934702,8002784.159938997,2298035.82225785,2679600.601782507,3160351.677883613,3087159.914496773,2486270.210195469,2815884.708161521,2699908.980016437,2646960.6615085,1975037.041600297,2883706.17074321,2520350.940754344,1952959.556201322,1831187.436685266]
["Com_1559_neg","3-Hydroxybenzoic acid","3-Hydroxybenzoate; 3-Hydroxybenzoic acid; m-Hydroxybenzoic acid","C7 H6 O3",138.03119,5.504,137.02385,"cpd:C00587","map00400  Phenylalanine, tyrosine and tryptophan biosynthesis","HMDB0002466","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",771279.0202539434,2496365.729497475,22359305.15859152,16483303.68216687,4235196.092310115,67213875.1841559,13191114.67476603,437424.1067108034,10853395.12544822,5275973.085343166,67025482.52687746,36401400.55036535,259520.2282630129,275274.8078181375,251770.6594063434,1087382.463127472,21965200.81488772,8443063.386838987,34659042.45403733,1252821.915200613,1590124.983286683,695652.1415991384,718368.6853331772,957720.900666452,493638.8526627955,59060301.97792231,438923.1370442389,1064671.524477078,1271381.258738171,1467197.144458006,895107.0582475187,906880.4257941216,393720.2959201991,361092.1469802862,1885455.882360914,484587.6267492392,1852566.937969653,661734.5072421402,853883.3407782809,4575792.099156004,87624223.71186325,12274725.07728532,6262145.892012103,6645909.65046249,2852790.602593526,400318.0056261151,790426.4342090212,326744.7374122889,539991.6332787409,2442823.084290985,1536970.525914363,554347.540720261,2150629.817042941,332156.8956248321,626792.663500722,515881.7334257208,17560138.42139826,681324.3537604739,4233793.45626675,4618873.461649356,4349536.076961334,5054110.490995938,4377567.97749764,5305521.876151982,4052920.947116424,4838921.70671928,4874216.307983605,5284192.59874033,5366893.053611731,5029964.149402913,4422480.339250188]
["Com_1577_neg","Oxoadipic Acid","--","C6 H8 O5",160.03662,4.864,159.02934,"--","--","HMDB0000225","LMFA01170121","Organic acids and derivatives","Keto acids and derivatives","Medium-chain keto acids and derivatives","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Medium-chain keto acids and derivatives","Medium-chain keto acids and derivatives",1603025.030816138,9859705.805117358,82102138.13435584,14242914.08403653,2775810.191095988,11566595.14481268,9446677.994195348,1306046.162675014,10415065.21396896,13493293.53442426,10790210.53994829,38298746.60228367,671513.184542173,1225709.165048698,921420.7956854288,2719065.218130181,38439491.59685954,4614737.794389226,22480361.22510275,4084933.401929846,14757529.00854822,6804226.048934274,1965989.669253233,7586517.041029482,7717655.021645488,64950883.51995462,1827950.552564457,3455172.487856092,4826024.66275569,8369682.731953861,4984302.861375558,4199444.646204273,1750842.471891074,2875530.409186514,4608030.510927257,1667479.121954186,5103815.279421384,2790513.561754872,1626750.28364774,2273253.00769454,38040268.62324615,24320120.12121947,3474686.943315861,22925797.88785475,2957274.599889065,5175370.417267559,2025613.523090886,2189925.556581938,4377549.548879843,23304358.53793923,1545223.021969483,1328677.810840339,3280721.422321393,1030317.800138654,2068522.355128032,2896018.092891948,3753646.335551951,2127346.637308515,1466039.33037384,1691009.038746659,2127192.868386609,2693453.93182335,2811562.640274899,3498193.508244038,3238762.341314557,2998029.509980096,2958238.801627841,3079627.486038757,3112405.116221757,3656947.850380305,3402450.877599685]
["Com_1587_neg","5-Aminopentanoate","5-Aminopentanoate; 5-Aminopentanoic acid; 5-Aminovaleric acid","C5 H11 N O2",117.07859,1.467,116.07132,"cpd:C00431","map00310  Lysine degradation;map00330  Arginine and proline metabolism","HMDB0003355","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Delta amino acids and derivatives",14565083.58004418,46082910.69532654,13690427.31679479,13929814.55305288,11524096.45072391,6698918.875740126,18848260.57936331,10652675.54390494,12942493.49858352,18119632.21295733,16644045.29623908,23275510.83056092,22214332.25658199,22196814.02712521,24672943.94845913,16467534.00750543,10387764.67800452,18265010.28870537,19017851.50698251,32061095.39781728,29083090.46280956,78025146.66599715,65757570.01630402,44708587.13578488,49977973.2511751,23149784.9107924,47082838.21309388,55003905.96981405,35907830.13141537,43623104.80447219,50435660.24403381,33525782.18824075,18967898.0280786,22924154.73201069,33985300.13358255,23244253.07781621,46725435.38707648,22062423.37060152,18898845.97674574,35494958.58699017,12750638.637747,35429500.22273783,21880820.55324549,9330179.665144555,12992772.05021273,15737497.49538092,8623304.908516778,17193424.33529666,20889482.73285445,23973432.17764989,17319236.57205884,14328442.75716464,21866814.65199899,17091267.13725251,19403568.16519045,21034516.14457413,11373175.87982036,12886793.62762964,15911261.4262746,12417027.52353059,12594159.51690261,16939331.88117772,14605371.44781992,15143415.92262234,15303373.64329137,14147157.72267214,15220340.4359971,14630417.15744974,13046389.38214052,13831069.71021905,13923513.98268566]
["Com_1605_neg","2'-Deoxyadenosine 5'-monophosphate","dAMP; 2'-Deoxyadenosine 5'-phosphate; 2'-Deoxyadenosine 5'-monophosphate; Deoxyadenylic acid; Deoxyadenosine monophosphate","C10 H14 N5 O6 P",331.06785,2.13,330.06058,"cpd:C00360","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000905","--","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine deoxyribonucleotides","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine deoxyribonucleotides","Purine 2'-deoxyribonucleoside monophosphates",860814.815839176,2086847.566999478,1176938.589493525,5148896.671695491,1309818.331682773,980672.1796365974,1920839.298568254,582678.1674217356,2305392.849231335,5870629.016394877,636612.4748685836,901384.6908401232,601975.1565429141,2100511.222831498,1441039.668311574,822246.700769217,1789639.361927212,1839219.762579195,2200974.002213778,3413560.427073932,1216853.930592568,295089.9766535993,7369834.792584394,2600302.049498097,3054927.153549466,3231906.744283138,72662370.93486223,287013.9881229099,1549066.135353786,344832.9481675617,1368685.177315033,1042548.114590675,1535085.126355724,1384550.184049256,811898.7524423939,1733678.578302636,2814969.180110003,1747380.10563052,1475151.66588438,438815.149041125,356626.8530577522,2592373.357780878,920716.459792766,2019677.632616593,1076841.398277294,765337.6616774872,493017.0751545086,808426.7541581448,396411.1213198605,1663546.721684685,2369242.53707803,1135166.954684207,3142770.103352099,646572.268825217,625069.5662086888,1080572.717614572,1200705.832424925,282381.611865061,3011841.67404884,3143504.523510783,1684277.669826724,2680936.656280852,1976202.503779226,1460075.074022328,1345786.420677644,1532839.363122524,1975409.829604327,1948974.855024809,1725148.466602444,1598581.191870231,1694924.798650381]
["Com_1624_neg","(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide","--","C29 H44 O9",582.30333,6.584,581.29639,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},373766.3319575773,119808.7419831852,130446.5102858801,268069.2825879824,84009.63060305879,313429.8043983136,1292778.331705559,179382.9327104688,426879.8986832787,566183.3336963446,338734.6705274013,145052.5123262093,138514.5553905246,120992.3058893151,124822.5467219156,116536.6381797089,293666.6671645155,98415.92468260738,226100.8893692796,21779667.05974553,29520250.05614465,1675617.623042065,18405097.56078415,41662948.12101828,49328219.87292793,186052.9195820441,2504742.830055724,11938392.0801305,74322598.7847104,18861421.23914787,14421359.08237596,12502393.90148119,1528514.905367249,968868.1755573514,10399551.10643557,4357328.446929012,14317388.81132223,1330144.236691384,3295193.59912208,92659116.98884788,249210.1405632057,195504.23985035,241792.8876638256,376986.7419031845,112307.9589238539,204787.1435477446,120469.5267154579,989251.5911226196,203732.4168351489,110373.9992562512,127571.9635817179,2484281.822878848,180434.6245886768,182644.7025138628,161422.0428218239,344618.4335760899,69143.28716858393,329885.9212691932,5494332.73877104,6490496.318315676,8656649.00715396,5870828.281702161,5058379.100178232,5634678.904302229,6345095.408393756,4097490.256446114,2622793.061675401,5460443.525800901,2922608.774730546,5132694.393412765,4910751.193825181]
["Com_1650_neg","N-Acetyl-L-histidine","N-Acetyl-L-histidine","C8 H11 N3 O3",197.08092,1.397,196.07349,"cpd:C02997","--","HMDB0032055","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",8558549.25120734,12808627.56236183,3869944.347918896,11978727.35906816,20907511.58968334,8669865.206066383,6019044.863901691,35340445.07738823,21091546.51796274,25773984.91575805,15806317.4283355,18753318.65090863,47061542.8268559,32364640.43245836,45107043.99932136,9912853.23134819,10721385.65876578,32362012.69158939,4979182.084584537,4736363.131797845,22236517.20828118,6333199.295335544,19558510.23314307,13528343.11639555,5454774.270384632,31801065.85111178,27627191.87965679,13473155.67734523,11698159.60010977,6490944.035283681,9445354.775354462,3317550.967752703,24767646.5319412,13203235.53669347,26222617.26280592,27574841.73467498,22213155.46606576,21140677.47869284,17425250.93170901,9762103.815165158,21328035.54764412,8698298.471643237,8320927.816438439,16672019.93066736,8250728.899287949,22217699.19710837,53116168.58026087,7923982.658724749,26211587.45182288,22379950.60402842,12311461.58880481,63222461.40879802,7905907.683048055,54905620.9070527,34747052.93214244,20100358.88852399,14961638.91063303,73235274.92284444,18495853.1982428,19109429.88833905,27056229.51310872,12413285.80762614,15058982.25815762,24410686.34489271,9889311.35658854,16904294.53333091,12804401.91708026,14735323.25532616,13109700.90763829,15388296.03856069,16250471.84900472]
["Com_1690_neg","DL-Norvaline","--","C5 H11 N O2",117.07859,1.702,116.07131,"--","--","HMDB0251527","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",11402323.05471905,15911817.53276192,9396309.242901802,14071527.87684078,12800776.63859558,9475521.139468016,13422757.91226718,11267008.42910293,18318218.99513889,14333668.2159117,14180875.0831306,13124514.7989488,18504439.41045449,28261202.97837761,27008796.09977683,14961355.91773813,11852598.61037878,22169391.18605452,16987087.81546973,27082266.15630988,23673159.82998562,71989644.11690572,57544173.82133301,36770896.61666879,46777563.32233761,25375079.92795567,52951354.66837562,51249969.91506347,38781154.39105727,41649076.66182905,37289189.28498219,22572524.97661841,19302114.89889121,18954941.61296837,26703664.59985803,17308860.54457993,65801231.53775776,24345782.04850022,19264985.93333296,49362505.50519656,12343016.72079711,12044790.47114552,11955129.86378313,9995000.997831218,13146218.76660906,13067924.02290513,10577340.50653818,15096265.16262325,11442052.67330106,10660795.37848305,16371787.86511086,16809341.45015145,24715923.38589688,18126571.62320891,13218849.93625646,21511427.125909,19077124.31495526,10548400.35214425,16717776.5195173,14468964.28649654,14971691.06014373,14541101.31277131,12798112.65919686,13316727.89071964,12918894.32293531,14147677.46518911,15580101.48121088,17693117.04608282,16197708.47726175,17201132.96147161,17430968.41341776]
["Com_1723_neg","Cytidine-5'-monophosphate","CMP; Cytidine-5'-monophosphate; Cytidylic acid","C9 H14 N3 O8 P",323.05114,1.457,322.04395,"cpd:C00055","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000095","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside monophosphates",16280448.34662684,12818942.54846259,2500825.952526196,8738178.045098867,7226733.228768376,1151844.448890476,10373080.38163508,11269167.76160312,7672553.140597409,10935887.76805414,435290.1848427873,562469.051925445,68670547.60276465,19480283.49740594,33325702.88104447,6655380.617931535,1323426.264296421,11273758.2520711,7686707.058935229,461035.0361655415,609754.1884175532,521015.6966632704,5621464.698840432,569560.1570506381,3524608.237101368,507758.2545073233,6716389.196578377,1303915.372118478,407569.7897534229,1201303.411801798,772705.24215719,685071.0188994312,6835512.78869421,6387533.022115013,954258.2567603284,7746449.193172756,398806.8558237813,7095135.237852718,10620068.80620484,463307.4105167184,599295.6136650707,5871007.887043916,10396570.7183264,8123138.031312067,9194360.238315787,10513608.98880241,10332687.84680208,14510383.78555477,14794163.80713695,14197459.4402188,9928313.316375474,11120885.40296096,14425884.92106333,10764007.12636268,17433723.58522889,8269702.018759567,10694682.95972272,21529831.79243893,8809642.21468846,6762257.028190713,6252337.338219672,5937923.60530697,4997566.079361787,3530397.385615084,3659441.646515682,3671699.003691241,4694906.100602979,4545046.957722161,4777299.48732137,5823309.841577118,6257690.298764098]
["Com_1745_neg","FAHFA (20:5/20:4)","--","C40 H60 O4",604.44752,9.627,603.44025,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",5552236.907293804,9329451.345766492,198569.4777503307,2008981.079910405,14133153.01786148,120805.7518999471,2465906.934695132,2513068.956334222,8525587.12980708,217862.389601138,1376654.775474767,1008888.429617634,229742.084662666,14111781.1011005,7932210.055109734,1307605.418575692,1033125.883352158,19390875.54577636,12496812.27439226,5480891.641789248,7581662.76403353,1281783.366125739,8942019.298967967,2243965.511349909,922039.1528850172,1275195.239636796,8224491.478124477,495535.1343745855,1650474.214086633,17783044.29196816,3851658.762821123,16907191.85170528,4714554.702504943,1657420.900973018,398959.6898165429,16506170.74402382,247026.1828627016,11261832.4118545,13945403.51144994,257460.6349207223,239151.8124403478,2520911.186431921,1768177.997995049,3270420.857026067,652424.6909337629,19697831.77621961,1944253.073086808,8217779.041477498,13951641.11090735,10964521.5184683,21427970.78992864,6736159.766153036,661285.0438300015,15667595.93266419,16137836.62187266,17296209.04416635,17025445.70960429,13383769.80646344,15393722.5045137,13769342.16407527,15957421.53931294,11150310.79038551,11657084.73456124,11548467.6609475,12724016.67941636,11026481.67725632,9434052.528631492,9560993.805630969,7509663.65549119,11780834.19078369,10378570.39313744]
["Com_1773_neg","2-(1H-1,2,3-benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide","--","C17 H16 N4 O",292.13392,5.555,291.12665,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},219023.3599934739,6762624.225698645,6090312.823174663,3232932.436203534,2612821.340336126,15797717.78752196,2148381.651075017,577340.5600432167,3118147.922809748,24449478.80022234,7631556.367305304,6077555.754425251,321377.2622452679,395607.3225202106,388076.3044920691,3590796.645366508,8168263.60558216,2360850.215894707,3676597.15350682,6073622.264574041,4505453.556868638,15219732.02820303,2994438.591422753,8556382.19320736,5125343.993738924,6291869.566964461,2686831.739954181,10396461.68624284,9588141.405254746,8584655.153341768,8286362.248088087,14559831.34162638,1116744.554970881,2783273.796169943,8620373.210649287,2907368.97574516,5756029.828429463,1802858.461499185,740803.0974268159,80627614.94246045,6125258.530632487,2693381.37025663,587014.2819963587,5222323.660747885,2868040.172300701,604819.082028386,2513494.291702477,702470.2331945808,999615.1806610844,1193165.467204476,7109374.461039239,921770.9357930316,1558355.0223147,1209288.782376515,1398857.708445625,664340.07473433,1098699.571180514,515218.9409309325,3441208.4356295,2641562.560650133,3167380.822582135,3320054.854644336,3085475.679147211,3531284.57536922,3001932.497517297,2553501.448702955,3027758.864325029,2923710.562855576,2730839.797569048,2406296.111296519,2221242.028363571]
["Com_1780_neg","FAHFA (20:4/18:1)","--","C38 H64 O4",584.47896,10.204,583.47211,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",64221067.07309612,37336561.83200699,15119023.75277202,13128295.13105948,61155434.57339513,4283082.328911566,20996230.99387755,26199926.47955647,39101970.50668054,5699382.127883787,12252227.18764637,15583340.15484808,5939032.026048821,43396852.46928574,48792554.24380086,25893449.15680351,22136378.69145475,55834030.67675109,47092361.18071535,49940996.89180285,24043673.67543058,10090555.06198119,59619354.31862638,13720773.07357838,47390399.22356149,18355942.59592657,58311760.16860384,2486032.012607235,13218971.05999037,43434898.27555746,20126511.33875596,43181646.68223283,20586008.21430957,28073890.94303271,11276769.42399171,49867890.11131281,1339233.414285759,34142168.43852508,40478195.53317522,1279354.854011979,2633124.246248571,22153685.08210839,16893492.21164836,28654980.80553472,40492346.59535389,66256925.90403013,37781952.80245474,37167519.7458223,48491317.81787426,55800300.751844,65729419.22580365,33783466.28140099,33987348.8205087,59388726.60572343,64056390.04866377,60076560.03157461,71909312.63569534,37497301.36798626,29365759.1815419,30333947.55829063,26512027.64394324,30782013.0504363,26639851.84608066,21946017.20583708,21577665.51034836,23888844.45677153,21735387.61950066,22939787.18706145,20398059.23395878,23758365.70687259,21871502.60972639]
["Com_1787_neg","N-(3,4-dimethoxyphenethyl)-N'-(3,4,5-trimethoxybenzoyl)thiourea","--","C21 H26 N2 O6 S",434.15696,5.617,433.1496,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1151837.810138847,1116429.434268529,339952.7714835789,280753.5286254337,4858979.049842988,342442.2089507866,1946427.874982795,665437.4914437969,128010.3813601578,187917.4037863526,422550.6275482318,803000.9167631938,112150.1160521115,312834.6226451418,122864.0735869663,896320.1935526506,515007.3846951381,109138.047987315,193354.8505553616,6361073.558189802,6117038.546257421,9143587.748152034,11139912.35307211,52358132.33498362,23844853.88866723,354368.3510321632,13364330.67150082,74667513.13459355,60718922.84171084,36881339.19718751,45009997.36744614,27882257.91488391,4537651.958981774,2796583.585080397,47538164.39957779,3038433.1654579,46657308.68010754,6284743.884573724,2937128.812623173,40533877.53102129,708950.6393928078,959264.8280013418,1692832.667248168,403832.3742779309,4324107.351056076,1212105.4291545,575179.721331036,997802.7336575128,3343009.026271836,2555504.670048894,2186530.437396077,3619064.381089501,1205345.97140854,4277508.348088868,2439240.919436357,3160701.790283609,454212.7714508228,817265.7765541376,5232911.6884665,5579309.309581554,4786515.909966217,5089897.563457199,6101327.213360715,4438806.340087052,4756963.088552773,5001942.090291305,5764893.4519842,6049523.184148455,4970363.780217181,5652066.914678128,5072084.769841331]
["Com_1788_neg","Glycodeoxycholic Acid (hydrate)","--","C26 H43 N O5",449.31345,6.852,448.30634,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},896014.9203638443,1400564.627853719,1393463.939979391,1852327.181442805,1106422.92937044,1093965.573984569,2149001.541753672,243447.9348810583,3626063.935393267,1046117.800859763,3020185.051854783,1161527.773973755,140633.7835080014,234218.9676868575,61697.08742099987,19159039.09670293,1984509.069664235,797034.4742840187,1400866.677689355,304570.2130345557,303716.7103393706,230746.1482129815,70869.33586483104,325959.9824007484,180918.5368703734,3945085.740706952,78858.96985645348,254693.6495119776,264773.6151126386,215865.520642046,228429.6539151757,166226.3941926202,98077.39678700644,101121.4975166605,436653.9638296704,197393.9558936802,442522.6144447828,194948.7011197692,93124.89822385418,322679.5480067623,1638821.349340639,3452050.685770081,288082.7100795828,1182965.834464844,1602496.924208196,431525.8455584308,148163.4157957803,108949.4802884959,84705.29405053919,370178.5691552242,556754.7982951703,850068.6496984916,2240515.094206023,160837.6777296613,77075.22526887973,1229301.231384037,52379.83012524522,83416.21167408045,1440561.21820973,2129502.780783914,1649846.824355599,1698500.077770805,2448105.797701373,1475452.116657265,1298873.745919043,2186159.947764629,1922959.432308816,1910636.546062012,1724290.250951562,2440520.512922306,2279368.360432484]
["Com_1793_neg","FAHFA (22:4/18:0)","--","C40 H70 O4",614.52591,10.819,613.51898,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",51273379.73690405,26502041.63255293,26380884.80639864,5266507.836262829,38298706.85270859,3510748.276896121,21543678.54652844,18525185.2396949,21628955.13911153,9482183.11271804,8758143.013008872,11778567.82837796,10685445.82890424,32718663.58953171,32425444.83928569,15581609.31316714,19311469.18684422,33357912.56339044,27569220.35465191,28922088.1129468,8698529.86756468,4112703.132094747,51808185.74248052,12831824.8528459,53376572.69242382,7737644.683095789,61118554.34952097,763719.4132550665,8496208.35391457,26370413.10923196,11435021.68321611,27129672.1872199,21953118.62675451,24003013.34108438,7098047.326825754,39034931.50901103,451939.6349685435,18168765.32405101,29629227.28915451,622759.29572937,2567112.85421502,12994682.78690972,17360839.07907168,14677337.31106975,19974153.08473337,40349841.39744359,17482229.30042212,30758187.2639798,38648410.00271004,56226276.91660253,45455975.87024696,26534862.83079815,38594641.46516831,22595576.61366654,53314922.42150714,55593585.89867567,47113189.82903276,23296803.12329077,19736706.174642,20119689.40436069,15930114.32349527,17608942.93136169,20038796.01116448,15209624.45988383,13643997.75362484,15908834.83271561,14286123.51698995,13203490.02778506,11507147.62194941,17076905.77137348,12292848.58219459]
["Com_1839_neg","15(R)-Lipoxin A4","--","C20 H32 O5",352.22414,6.478,351.21701,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Lipoxins",20392357.23766426,12894239.1275307,9839059.720491933,15649317.71234394,11099378.39163787,7744544.74852313,8636120.885744995,25964475.53417041,10368519.02467728,25411338.85728488,12350376.0880782,22401176.12954953,46101844.62456444,22527027.69913051,23560495.5572628,7673180.342042311,9295719.289670844,9739048.826907704,9121238.294823457,8698154.14854364,7453721.68154416,9022204.406852346,5741197.605734606,8313443.255240068,6311515.865328041,20618723.39661459,13036429.89909899,6173245.064307936,7089236.73509719,8588660.628685597,5159258.799440988,8389779.717391022,10887720.84242737,6616932.351064246,6117271.825362307,12122317.65281946,5687471.561046281,8080255.362278271,9604340.996353982,15075993.53235292,11072947.92963654,14076585.63937863,22993341.59987913,6992980.743655936,12754188.55630776,7495211.337623811,17478535.77229514,25129408.28297374,6058808.472640308,11522686.04842072,7122779.641926885,12906619.52454379,13326502.6433547,37152125.91003414,4109992.816392879,15552044.35760539,10667011.87774116,7217970.910598814,15073962.1486017,13654984.65546954,12599812.20879469,13464599.62439626,12291514.16377183,17672711.63685748,13927866.52631992,10199626.03086844,10533327.39742139,11119390.99065221,7974238.26749404,9756173.45053892,9192730.989578385]
["Com_1857_neg","Ethyl-β-D-glucuronide","--","C8 H14 O7",222.07342,2.769,221.06607,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glucuronides",2114371.575785027,6060811.061402408,3294818.905940981,2207040.350069606,8027698.865555126,2040559.093021771,15918683.20167134,6158279.526812914,4402086.716800584,1597155.255278779,4156197.06328075,5740103.751155989,1934918.04434996,1972562.097322866,4154551.060137523,2925361.632470706,5218619.385377521,7436041.024154087,7550364.908127733,53322236.03064843,31755843.58541633,8935179.64503039,49566887.68031041,5791391.56256571,4025913.915373829,2534737.833322777,29334154.81960236,21728428.2280181,21205235.96275904,8211043.34493365,65961578.01887421,35250552.40081756,11116170.94160943,6907449.815064581,13102719.79535877,6993588.611564668,7106932.790206349,19391583.0411979,3228175.951862377,15190963.46016194,2791401.637341338,3387310.027892874,1560685.341757979,3984852.291618487,15417133.77620636,2525348.544902191,4773511.376063514,906375.6109399112,6289711.679086535,3315342.416937667,4908146.965028766,3578813.924800131,12307696.36745099,1210506.268168283,1350579.530412094,12184930.2974499,1432723.771672988,1129649.048411565,3487601.05774682,3843988.036166535,4359967.031874516,4675155.396662461,4527101.825380758,4426821.200903154,4976501.504124513,4481529.709330495,4520801.26337598,4596782.949999714,4531763.692636725,4475800.536400311,4649522.205254819]
["Com_1883_neg","N-Methylthreonine","--","C5 H11 N O3",133.07337,1.334,132.06602,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",972602.377755914,2010950.18481117,1809463.270004874,636369.7718430123,664256.975399011,2149240.123067597,628501.2951794534,1391300.868647951,671107.8853425968,3015458.797349949,2676387.574087957,7388033.290971039,535581.4617444278,736789.46104962,719260.1229324164,1054147.871620642,699749.2334229958,759804.4591309165,794618.1343446577,1712731.036343015,3429527.745769381,59587330.50577227,840080.8859376225,11915683.32939164,3034941.439744891,3321146.38309762,867597.8420376448,26530051.9605906,5220737.820551012,4957605.219461257,2250575.476653662,1590594.701291601,689771.4077609938,693852.1921937657,4006082.523415353,643152.5870445442,11233558.52529512,690096.6180497883,882654.3462425019,16078978.45712998,4195517.459482044,580334.7137185038,561787.2579068278,2116844.153929029,776590.7112128398,716253.0590830654,600050.3130149768,553367.4508958112,739798.5308000279,982109.1064432017,616622.5616677519,452082.3021736354,546143.035453672,683389.6214609095,1086631.729839842,612042.5134776093,618440.3392110113,1350027.023414334,790518.196114614,843967.6409027877,477297.7931310316,790779.8097706166,769736.9749357238,549162.571898438,740055.0049690048,698644.8323341367,526959.0132990455,438958.7388147754,980925.5675473668,753606.870644724,803449.7133645108]
["Com_1892_neg","4-Hydroxyhippuric acid","--","C9 H9 N O4",195.05264,5.029,194.04536,"--","--","HMDB0013678","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","No results","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",843248.3529059724,206497.6270984965,954777.5032739906,720433.117954471,143256.8760311491,391918.564289911,361005.2780684431,438846.9059260142,396008.3997822988,164592.092289366,191537.5193219272,570687.5030124832,148549.1285383504,123879.5761440759,130183.769105709,625364.0710179971,1017738.322311838,142193.0435105017,141208.6316747654,43723629.2240556,77899165.59682062,14854944.54276344,31673392.61205238,31973237.58480342,14336047.73752779,184954.6742026934,11705860.32018191,32412526.50827927,21928948.90997088,28874541.76039996,12253127.73154952,12706495.33811104,3034227.565544132,4437510.865390771,34291262.86051085,5987348.603760837,29945494.38624003,13335202.57232386,14029888.62242628,62319812.21826026,1150240.686326503,147891.4240546141,131509.2312581786,1399397.409702574,592150.4866842171,305936.9065941642,164665.6011894819,567225.6128503818,304760.3775315988,124660.0033908855,415642.2155314254,853385.110368789,116526.4523919728,340973.8059893594,885971.3961609958,263132.7051554552,134076.7665168568,265500.7184468633,6520087.97305981,6549517.301116942,6767170.477080962,6845091.456300485,5776777.259610217,5295085.791564377,4851051.410631804,5679785.482937209,6556083.671537787,4860703.071687994,4910959.34130128,4876621.433788627,5389768.598388557]
["Com_1908_neg","13,14-dihydro-19(R)-hydroxy Prostaglandin E1","--","C20 H36 O6",354.23998,6.622,353.23273,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",30296126.17642206,13860553.7404532,10999160.76421946,10777725.77347373,8097948.346956212,4399757.814152617,11911430.94168379,7469171.21070927,19570869.45251692,13521861.88116765,14525244.91749057,13776409.66746642,49717458.03182975,18068812.29518596,28298924.19237116,10566695.35080077,7759709.166733046,26621426.47749354,8910538.73211828,9171183.803633392,12858440.27903655,6593304.972870188,42373279.75352342,7715784.558805495,14441532.7011493,20822467.27228519,30715449.84200498,2240074.389901903,6805959.621753018,10932000.93245613,3556135.37402808,10761033.76319885,16634281.70525557,17446514.61252352,6944134.585563037,67948566.80356377,4636606.281364691,17399247.81399369,34241115.6821422,3686526.446375384,15914716.21882273,10444602.42160259,26740157.86591582,4408059.123554574,14930988.26436834,22869155.91445308,30321876.05888628,31800794.52692845,13844711.38260649,14041334.99694166,16780999.52786076,15964892.83967749,22403516.86817721,40888746.94623251,11718007.01080889,28216742.31976296,23908973.14579471,8855798.483376892,9034115.72477182,11793262.07801165,12077789.78192657,9444422.7449272,15521693.91802928,14022997.50961801,10754788.89723921,8414827.041508757,6995638.300424364,7991893.646815078,5992677.798832908,10084628.33697438,10143196.20683739]
["Com_1932_neg","2-Deoxyuridine","Deoxyuridine; 2-Deoxyuridine; 2'-Deoxyuridine","C9 H12 N2 O5",228.07374,1.433,227.06694,"cpd:C00526","map00240  Pyrimidine metabolism","HMDB0000012","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Pyrimidine 2'-deoxyribonucleosides","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Pyrimidine 2'-deoxyribonucleosides","Pyrimidine 2'-deoxyribonucleosides",1542306.790665309,7452675.031419123,12442345.82788988,5560475.360943764,1569512.36251199,7596956.896893073,2446951.075734935,1005779.716728209,4101266.536456964,4457772.170040908,11645252.09273841,14180684.35254277,1151511.77332017,1840096.092077958,1330939.120295541,2292548.659587957,10476387.7192349,1313079.109720819,3366240.260705502,19104455.15583635,11894322.29626778,55513078.74132925,2319045.139779017,34182129.74615449,22468368.08246074,9029827.720747828,3279883.734222481,65901400.38824826,36481351.7896089,19291194.04554096,14612840.93877731,8415850.796631623,1035195.3902022,2029251.321861028,17469062.31647458,1093462.343375416,25416621.72022853,1619989.122651126,1454411.964586645,49581700.50821039,10080096.9358963,6325683.041281544,1418202.172951774,7790110.845671562,1840426.167098963,2265376.92408487,3057653.965124026,1151667.117916945,2206813.766434464,3066556.761519457,1164119.020886309,988001.3487923827,1707004.854213074,1154764.142268102,2833919.586860237,1671330.103886923,1369326.898288166,2243564.448304152,4070142.08154202,3820191.186735284,3113824.970134385,4755262.211336491,2844790.621869164,3824526.195311255,2888512.973371549,3582924.058502754,2709405.362735566,2522961.559098068,2632686.511801097,3485457.485598973,2538267.743624038]
["Com_1945_neg","Pantetheine","Pantetheine; (R)-Pantetheine","C11 H22 N2 O4 S",278.12928,5.356,277.12195,"cpd:C00831","map00770  Pantothenate and CoA biosynthesis","HMDB0003426","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Beta amino acids and derivatives",2652675.902465806,3888134.931862538,1643981.845758575,448996.2680750321,1764222.987936084,183535.9136988008,842285.517643123,6040887.95196837,308082.1715591062,713947.5683567871,194198.4820954642,277451.5298974448,444321.5564948259,947787.6152697155,932910.9745010624,1958138.79326451,237381.2108574896,1069060.952792918,958921.098593504,364436.564966139,598644.0557343824,772906.8286730471,449347.2542758478,577722.6767670852,242486.4674363495,181275.0188969113,210843.0088811333,892873.6164989969,618201.637024552,745068.902522092,721427.4445737081,392975.7800869796,2071619.823199928,1306823.587188076,614249.583616912,1096881.487978798,514088.9543789248,1084836.228284295,1302178.034431998,799656.2666179591,653809.7146904406,360713.3249739323,2593617.750671685,146539.7058400593,2003596.673258962,3840069.694484551,3288417.220176694,1694773.061169669,3618459.839786639,2205468.222229081,1967579.203085546,2589222.96977871,625360.2797273798,1697626.666199175,1864668.19096813,2771552.551448781,1992440.929661302,22156998.99701429,894427.650742094,1094116.187250024,867566.7333001486,740575.7788048758,987501.8531184735,877894.1665579563,532136.1461011047,414981.7040196972,561829.9646284373,701456.2244380737,453864.5957032317,697255.5804789927,502493.6878530776]
["Com_1946_neg","LPC 18:1","--","C26 H52 N O7 P",567.35225,9.779,566.34552,"--","--","HMDB0002815","LMGP01050138","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",67748433.43756795,3970830.784102596,11366843.3039341,210782.4755319339,30348614.44842561,38140.96484517064,26425368.57920692,72099662.4506966,11109687.57037035,11083482.9054186,1517730.196478448,665408.0121152876,21051602.83547776,22616802.72575215,26904750.09937509,14461194.78840262,131482.3294699067,6354617.818024142,10961563.80332327,9538211.598487489,178573.6451736822,1912001.050893845,1649069.128994256,16979003.99446161,3710111.779423423,807141.5257354688,3146126.078384083,131823.4001102476,272984.562546831,578248.9433885312,223154.969237721,4684988.678768788,9225066.57752134,11494347.58116836,420972.4689611378,6510454.553479898,37964.18113910009,8510076.2185436,59202129.57273576,150970.5555475986,736873.4310594014,1854641.719425617,47131096.49159313,6474902.84194937,36230483.24392033,5502756.428958669,56778660.98575492,49149524.05241414,37151162.72738525,35864059.76584564,17472232.0793949,10535045.36587664,7623042.632971588,12305644.00323627,34606190.92440316,46630899.18063973,16031715.37663975,81294388.5237911,12914960.1741048,11705964.81924487,12058609.66793072,11921568.84451288,4686603.951624656,10182204.86857379,9613673.684506644,8432595.367003115,7278298.857413904,7064952.797753252,5143942.853674931,7120037.7371184,6801122.427017357]
["Com_1954_neg","11-dehydro Thromboxane B2","--","C20 H32 O6",368.21907,5.87,367.21182,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Thromboxanes",4451971.999853665,9953640.680807712,40193517.60806274,40746765.15548974,7159105.945063067,33176234.99746479,15470333.7880171,3155641.492246353,21426101.3359194,23653015.29187834,38897245.70409079,32198679.56922199,15811690.15112732,4266729.427115419,4355927.742024902,9770805.295532456,42628224.372366,9054337.401521146,13530516.91977536,19165204.79412593,25189670.88646997,22955629.76654868,5676239.782728916,31510801.34361454,20856151.60161782,46328268.04109209,10391785.39347388,42166376.80820126,30277253.43329686,27367438.73058013,31649363.85897459,14364846.58819372,5677840.832251665,5636737.887932417,33355833.19587583,5089799.504617565,22931688.99053596,8944053.946766293,6006244.122766482,27145770.61129649,37428809.09463877,18489709.04435421,6891000.864853175,32582064.73412329,7860839.132451526,2805021.37487502,13145532.05845792,3375212.786088675,2492403.280706764,9606107.01892905,4471178.068834329,4340835.207645211,12236345.87169656,6305594.462247322,1977547.516896985,3926314.766976504,8245159.960368585,1262429.329854644,11778297.3380983,9912577.21853486,12812027.59658082,12113580.39531531,11957690.93077888,10300681.65375252,10348381.4331982,10460069.03867888,11650701.74056818,13556528.02506124,13534993.46512285,12074086.80673838,10453513.58930698]
["Com_1981_neg","cis-Aconitic acid","cis-Aconitate; cis-Aconitic acid","C6 H6 O6",174.01577,1.461,173.00836,"cpd:C00417","map00020  Citrate cycle (TCA cycle);map00630  Glyoxylate and dicarboxylate metabolism;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism","HMDB0000072","--","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","Tricarboxylic acids and derivatives",1624591.968219956,5151444.108362505,15329212.99008121,8273921.003800986,7419538.138854822,5158194.921416848,11444174.33694489,3365229.284859104,11297572.28165344,8282510.82549081,4806724.945863268,2626729.021081616,12631743.78613963,9050850.741359524,13364773.68178398,13746503.44147735,6658740.217436904,7051902.493478124,4408594.038355547,4036059.895272784,3962690.168185527,3707496.331619843,7642896.624926036,6549343.90361442,2631259.878185224,4812058.816589359,6424789.885264936,3106351.717940724,2522100.827910296,3079073.650324307,2931162.423813484,1922987.886897199,44658640.07921271,16662058.29635552,4490824.026628864,7562456.433197713,2765356.868347875,4852770.932793147,3324232.234049033,2175651.080608884,2735060.764637975,4911074.834608364,4426214.045075218,22838877.48284621,10166159.34296047,29980254.89631733,3254073.959175917,5053775.87601258,20727039.58882826,4649876.486178246,9491121.354794033,49562090.76654223,5905572.785726891,7134979.632121779,1824684.699873038,8718742.623125698,30451096.18823936,1080796.923228821,17719788.8060135,18374026.53521616,15067771.36508639,17849959.03625548,16681546.22323767,21134015.40616651,15513944.31837918,19047527.08321382,15064456.55686416,16060210.21398515,13275221.11874082,15126800.53083479,15623313.69447465]
["Com_1987_neg","2-Hydroxy-1-(4-methoxyphenyl)propyl hexopyranoside","--","C16 H24 O8",344.14633,5.669,343.1387,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},387743.3165023627,852978.2974729992,2058828.337901508,3841245.511365697,440779.5042088518,2128007.904293509,1135923.227213439,386601.7273280814,1158258.286731419,1301086.311730601,1906825.397550867,2662293.362086881,688130.9324585513,192810.4991088976,269394.1039410321,549991.2401796965,2302315.080518144,452604.4700076955,822968.4727126011,2307028.096849015,2595856.926777523,2483859.998823937,1761242.429684066,1989928.442732527,1860075.362710576,2766628.818794833,1963557.127980904,2540670.331951356,4212341.252159441,2200617.327898202,21314130.80657843,15401606.928678,5332025.269338963,4217434.299236568,2385121.089042396,1145875.809516635,2949208.92737482,20475978.88551069,65661742.90794397,4313540.899876224,2589817.250415442,1004652.237631403,918359.0889316268,2049921.92220152,413260.1055275733,186163.0828697177,498528.3868143127,495644.2073074943,334465.8532782026,738054.1877733085,377013.0631190831,599911.252435863,2607549.617852514,522639.6918285943,349656.7347379605,2275970.503711108,586357.9455191192,569263.9836029885,2156298.5561297,1245695.358568654,1583698.639082869,1998159.77216366,1803951.505499267,1542716.829009786,1167734.994656354,1535955.046055237,1416087.527000085,1135157.325202678,1213586.271231205,2346302.457197952,1739798.105156813]
["Com_2000_neg","Trehalose 6-phosphate","alpha,alpha'-Trehalose 6-phosphate; Trehalose 6-phosphate","C12 H23 O14 P",422.08179,1.485,421.07394,"cpd:C00689","map00500  Starch and sucrose metabolism;map01100  Metabolic pathways;map04723  Retrograde endocannabinoid signaling","HMDB0001124","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Saccharolipids","Not available","Saccharolipids",1629918.959491965,4988678.139219119,7645866.350304189,3777657.688003352,3911892.065606934,1077430.32044695,6563842.670485463,1298757.072577177,5319813.551205568,5962450.319881349,1210067.070827746,3868058.701955157,1250025.480230916,8706022.193896536,5360886.629511201,4585003.854533551,13156260.63576718,6034182.075141816,7373778.111901301,9354344.21554251,17221271.28909547,8387486.930318586,6282008.98406067,16075631.85061916,5578364.039579434,2350661.804782742,6922350.251698691,11398936.75741032,3333440.766570417,29453600.62278053,22560615.6751411,51164842.05761261,5445589.179969523,6174566.68937831,20236824.65490396,7038849.431600478,34245529.59557929,10990959.6584724,3940477.528686383,13117132.49617809,7599565.50987947,16072835.89588164,2451109.176331086,29401215.58719904,3249090.561428512,5864525.256680957,1224937.620956666,3791843.092866973,4630190.004169864,6981463.120804332,5075461.706451057,2876584.733827244,3982169.379558706,2264019.104833245,4855706.46534937,4143917.450206724,5314188.286010575,1271568.48520962,7902429.01738579,9204344.5426213,7701956.812543781,7932321.46944396,8938384.847491924,6288133.638997228,7691783.098545135,8335661.484553223,6812475.944362031,7386298.154842692,7230927.778525099,8158969.957308619,7575343.699566868]
["Com_2022_neg","8-iso-15-keto Prostaglandin E2","--","C20 H30 O5",332.19823,6.566,331.19116,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",1389581.677942067,4936867.32872116,1470580.803663814,18933140.89180693,1471075.897638404,3042476.043077209,1446532.346504401,445404.6989379082,1780705.313149099,1468084.107582632,3038295.525629013,2804188.707504602,3711546.294854128,430988.9220097502,391147.7389146718,735737.0521922361,497281.3748033684,965350.4779321536,856511.1245957979,3903942.502628549,1497009.124248424,961062.5566863042,294260.3064194897,2942214.110187277,610856.0831952487,2622996.057209083,532775.7539928338,1072121.193044141,2185077.193074381,1593712.780022254,4368830.596421332,2829376.348147587,1303122.640745592,1445912.123220221,9066884.899459643,1205394.363842793,10537719.04047887,7152894.272357591,8314312.740762299,65338018.72628397,2910474.376837722,1527811.239782808,1636905.486598729,1684220.758019042,1396787.66478956,515759.2643011709,1670465.872109118,3159867.321654745,257542.1699534155,796261.5193003356,644956.3360014028,448659.8664777961,1043417.260045341,792488.7647143884,237558.1660195133,484883.5035224555,788045.4321522212,341286.8131031251,3894874.18832672,3984976.091157448,4051182.407314721,3567172.103996397,3789217.017066919,5140359.253676224,2914637.794859503,3444387.874384702,3469606.269106919,3405848.238687834,3456516.797140806,2622494.665219202,3258354.408174312]
["Com_2031_neg","(±)9(10)-DiHOME","--","C18 H34 O4",314.24505,7.377,313.23767,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},15500851.82396024,23993510.31094049,6394572.279490935,1396786.660009871,10651018.59289285,3308142.336836417,14023790.32908743,26412315.83057696,17132042.26956389,5121088.670921172,2607374.990095586,7925348.600254582,32559041.63048731,30286881.17403913,55914587.15890297,14515373.33085483,10908627.18455651,24456605.05166237,11357016.3837169,9991370.299157854,6968127.982904127,2765780.13652331,19823128.62833064,7354251.146847763,18082093.38795828,5186134.047530944,26338749.1746494,2950432.295795517,2535356.199711932,3373732.186574396,2839406.548216603,3231103.969396634,9655341.420412514,24345393.22399299,783489.8683840577,30922288.99749936,494522.963971979,20481546.65834072,28744809.58090842,2139546.548810218,3860935.362839502,8261668.576166959,9369262.129952632,2840380.188915609,7072456.377849858,25426657.50060719,5847782.805744407,12288035.0683565,22197044.01238622,10707466.23663642,48404129.66579948,9665737.229484469,3451413.621891232,10604112.06278722,15645435.16616016,15292453.63659828,14929054.63061743,2895906.824948317,6785908.85164005,7445226.074181347,6265595.274523734,6015599.025638248,6800380.865909033,5912257.85418764,4021436.969973396,4799021.861859459,4345295.80166986,4591221.525840268,4054303.966639432,7640394.554830463,5488300.635452565]
["Com_2051_neg","Prostaglandin H1","--","C20 H34 O5",336.22951,7.577,335.22223,"--","--","HMDB0013041","LMFA03010044","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Invalid mass","No match","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",18220315.30889237,8069031.770283075,5052782.502531935,6055553.190113121,8317387.995137501,11839707.66272751,11918292.32257677,17005302.43538797,7055687.162932625,17355749.70597634,9331956.398251891,24472884.86779569,51544098.51553232,24788080.92300959,19100220.67596509,5403310.96695397,14900954.23278623,8206806.766642506,6683671.978382559,7981672.189307124,13287759.95101869,8273888.444609136,9064594.8782866,9986774.14792023,10185483.36900129,25235372.69514458,23192761.68230543,10111633.15360725,9436612.234465456,8517879.577203961,9452228.502488991,8963586.923184255,14187350.9791778,15587373.69522269,5495126.81486624,21905847.18247944,3285420.544675048,6394595.521442491,9231852.223688394,17181557.15764982,5570240.614644743,12796342.92932738,15942818.96735543,12848785.1950237,9305071.38803742,7573508.647910987,19728421.44069654,12136427.05262093,8158654.201840451,8665889.074237935,6437259.2403875,14538447.62698484,31929575.86843777,23131135.76943516,6216936.846728139,16356076.17605049,8181012.056629984,3549443.90003294,9545739.3425065,6785606.968934862,7719319.653679511,8030626.712190212,9173263.8733433,7150160.588399471,6515675.268604779,12225877.36317696,5791677.499013213,7252054.011626418,5196220.11884468,6125958.974025252,5815789.738495533]
["Com_2090_neg","alpha-Ketoglutaric acid","2-Oxoglutarate; Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid","C5 H6 O5",146.021,1.463,145.01376,"cpd:C00026","map00020  Citrate cycle (TCA cycle);map00040  Pentose and glucuronate interconversions;map00053  Ascorbate and aldarate metabolism;map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00340  Histidine metabolism;map00430  Taurine and hypotaurine metabolism;map00630  Glyoxylate and dicarboxylate metabolism;map00650  Butanoate metabolism","HMDB0000208","--","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",1595538.103307814,2361014.929384389,3745861.875656088,1795992.156277391,2535067.861696697,1266896.235230117,2584710.637903808,1180735.095753487,3273646.633552813,1733296.364177398,1800292.955919396,1271358.945963554,2292710.190976384,3321810.579123251,3215878.206083511,3257623.09698264,2271107.065319676,2608164.115727643,1523714.609028834,1365768.596808311,2030838.910494782,1406804.072645047,4033180.424733125,2030641.278470451,4082723.103046905,30982419.5173325,4575972.69322998,2211155.318338657,1862046.90209273,2292990.826138497,1637500.884016913,1546820.630307636,39689801.11011154,3051906.290607436,2413385.761095424,2139261.090998488,1963315.944670358,3026305.457234924,1711761.169263347,2042874.905143393,733085.4282226441,1846009.421783846,1811813.509638247,3977100.264464705,2750959.165971994,64815704.35889084,1719815.504443194,1991804.670479893,4024060.972778285,2029412.21090684,3267110.863973309,39322744.54410665,2294836.201545954,2218687.24345701,1234480.834100574,3082141.885353889,6495492.691039956,595580.1707107231,4889887.45626646,4514435.520082795,3392000.80723462,5114519.982064402,3924585.472817223,3883400.422374292,2912959.149824452,3455324.068120153,3607703.187928855,4437686.173986699,3349025.831703882,3577335.773564942,3356149.436154779]
["Com_2096_neg","FAHFA (22:4/22:3)","--","C44 H72 O4",664.54121,10.843,663.53394,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",25253447.75064309,7426950.762976388,6040430.493177115,1585640.49925327,12967499.34057344,256990.1110401547,2463835.212348341,6190644.876506908,7335764.216498526,778969.232168449,1307784.493483067,1645001.61435066,1297569.220508439,15518745.44841351,7753854.131148379,2492726.491700855,3256101.144851109,13030681.13113453,5356238.138019475,8377523.116655116,5230543.647934442,828580.7843813773,46312780.88017633,2527327.529429111,16141354.92590337,1711578.453116646,36796721.13858123,42940.16153352816,1920113.66450402,14055289.62684086,4239631.673026741,8639551.97948904,4796206.868072983,2923044.505995143,968886.7899038672,14254199.70558246,216068.5169239391,6120778.710309224,9840424.492174037,83832.37463058115,412125.6302409545,1881764.058698619,2042451.247516678,2166070.734020836,7705221.636416292,13995658.58138422,8934330.092292208,10003759.34690562,12780604.21508285,17898966.21702818,12517844.3459306,10961383.65209889,12235527.14424788,40429288.46770372,23442392.77832819,31116046.1370255,17735746.78073002,6761761.545054387,5959514.80324137,5062033.229570304,5238365.928227985,5335080.738051936,5905768.534706734,3943177.756742525,2627251.583703293,4361353.490274184,3096132.627007298,5380932.560315475,2748316.089141556,4335495.025897561,3411374.434743789]
["Com_2123_neg","19(R)-hydroxy Prostaglandin E2","--","C20 H32 O6",350.20852,6.242,349.20123,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},5448931.19245084,21623835.44025763,42970986.40131404,43656006.83229337,7509028.705635414,35810011.83685891,17374999.01867867,1913721.741339274,36086791.66373496,10070528.17906194,62955344.90991785,57183997.36797697,4951211.598820233,1555053.237843779,875151.8672866878,5853691.016110889,23643754.96166494,11728504.67134906,14369786.25255723,2223126.591982646,3242283.4964829,2649774.379012463,667452.9303192929,3426940.473801665,1254674.716786493,27616606.27225317,1398310.9074619,2352502.526872078,2965618.835483745,2474665.166550748,3226180.914829966,3060898.356219092,1151305.227362623,2155845.056959451,5332023.091903954,1593517.104378976,4978941.262869311,1585017.467356453,1932230.260400406,10106456.35023336,52485514.53740595,27320632.58767292,4554803.931961968,43928319.13604293,15528743.78649189,3411510.573388919,16138925.45625863,1483533.771365061,3831545.872666873,22676483.12974701,3625935.893982482,2032392.52590456,3927590.611957429,2790718.84405523,3272421.806107016,2141612.541447812,10525012.16213753,725729.7450196742,7565068.08560656,8719921.619043643,9183596.70802006,8618799.288512575,8090701.27108647,10167088.68716012,6276315.354472448,8813746.844450725,8339295.649010152,6923910.210037151,9355115.743659217,9135008.70248004,9037321.064109536]
["Com_2130_neg","2-Furoic acid","2-Furoate; 2-Furoic acid; 2-Furancarboxylic acid; Pyromucic acid","C5 H4 O3",112.0157,2.271,111.00843,"cpd:C01546","--","HMDB0000617","--","Organoheterocyclic compounds","Furans","Furoic acid and derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Furans","Furoic acid and derivatives","Furoic acids",6568397.830995462,10203755.33309174,8975466.91566706,6444917.494363124,27836541.8118901,1971033.312375016,10933130.16471234,62662493.2681603,13123137.30968864,2686023.009443152,2693528.124379064,1966715.993525367,5333453.597405087,9201487.716512673,7197107.879201073,24354035.78437364,2498799.903761148,5255261.566150979,22543479.22358968,5054256.325112334,2987506.426200366,2498087.623771752,11755582.58886948,2316044.440890992,53743530.11022522,1702538.315173646,6190097.895629818,2962637.105497313,2177559.94963182,7239094.654562404,5144798.679926639,3633489.640677909,16226806.93818066,2347844.847595131,2812432.668384744,8317877.231866319,2287992.675907446,4177724.217684607,3918761.614440622,2492632.878555745,1412716.359705193,3914494.239637221,2996228.825084154,4437518.590286037,18173270.58726917,40472046.04247987,15167922.79844989,18424501.15786567,5548585.373975663,6642393.632331345,7798697.128590317,25334941.82304613,7127576.042376902,4863957.940703891,2302059.544367947,5912450.981762552,17250559.45091022,8290482.989032863,3751634.74374408,4088670.048098164,4473695.125908156,5734641.202130186,5813539.723203989,4951200.03528923,4420288.868118433,4930107.060588575,4786304.68319387,4973684.803149216,5443951.215345422,4936269.435081595,4489215.40510687]
["Com_2223_neg","Deoxyguanosine","Deoxyguanosine; 2'-Deoxyguanosine","C10 H13 N5 O4",267.0964,3.996,266.08911,"cpd:C00330","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000085","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","Purine 2'-deoxyribonucleosides","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine deoxyribonucleotides","Purine 2'-deoxyribonucleoside monophosphates",426776.9555033155,779757.0696398459,6537627.026305851,2970650.667307667,508151.7533470846,7206533.372395784,564068.5238921212,262122.6658049581,1103869.199251391,1594359.476681605,15019467.60463817,9639661.021393964,121957.040242343,127476.7596232264,154613.9722762799,653473.3037227204,2423120.085987929,358876.4970563775,1070001.230928671,3918801.522697795,4189883.785553983,14309972.7632856,15337312.07200863,3351447.663838655,52559738.33675687,12251268.03748221,31085651.56657964,6708057.14254645,6126063.830495583,3721434.974461041,3155061.611787649,2086110.546768131,794159.8652464321,403687.1009011618,15355000.3929887,490515.3321865866,8510521.684785586,1063925.39527813,493444.9150527585,12732260.94759361,4072501.036733847,1292151.456187619,606999.8009923398,876089.7221288386,487971.2694943008,334928.4239727789,1032940.246623512,387773.0722961072,206256.6580370689,1057493.773909611,196053.7265915574,320083.3666061128,311645.1962084849,178693.3806339689,198899.460062616,690232.3729338387,190619.9368795909,333374.6982750851,2814933.2922549,2863644.655620025,3004216.982355384,3023583.379495621,2762068.983188196,2406392.983981267,2434563.276894532,2961071.623184884,2513169.012435836,3191136.434026493,2834616.828890791,2567661.874330678,3081043.911347912]
["Com_2244_neg","Phenylpyruvic acid","Phenylpyruvate; Phenylpyruvic acid; alpha-Ketohydrocinnamic acid; keto-Phenylpyruvate; 3-Phenyl-2-oxopropanoate; 2-Oxo-3-phenylpropanoate","C9 H8 O3",164.04683,5.853,163.03955,"cpd:C00166","map00360  Phenylalanine metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0000205","--","Benzenoids","Benzene and substituted derivatives","Phenylpyruvic acid derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Phenylpyruvic acid derivatives","Phenylpyruvic acid derivatives",269316.9393962615,620334.65654758,5317370.450475841,2116805.26022512,630905.5808139332,8100398.019597463,2130433.36460503,310859.115963902,2092803.472714769,3123890.979211334,12256381.67730382,18850233.67088025,506621.4177244892,340014.7539842629,519453.0357798433,770413.0553492676,8311279.021753572,1693292.545912489,7844159.394117941,5254386.221456317,6470481.963509869,6178503.627029762,802402.2390305666,4754127.312777851,5327302.328032528,37257679.34474714,484671.0258516185,7939390.656021063,11242448.30762536,15568316.61681534,2972405.371996725,820682.170118285,374013.5704334602,497204.233582115,1791205.111805743,491586.3358529024,7079921.704085724,678209.8525025338,409311.8762066192,2545110.355778428,8629907.704543525,2489173.77746774,581830.8510822726,3015670.446561025,961548.17439621,357415.6389477112,619444.4982464565,319891.5740594738,527710.0000900973,1314414.451093104,577477.6376164585,391724.9246928257,691480.5100113571,241586.9588233493,506461.1717457456,491906.2301865189,1325164.85659179,894233.2789130467,596978.671487537,839770.1306113759,653934.1779680516,668757.3188457878,562514.9138488579,662657.5945189194,617737.6763847211,576986.4628366138,751017.545914755,579044.1607180507,823643.298636781,771038.0931280657,892194.1779368718]
["Com_2246_neg","(±)18-HEPE","--","C20 H30 O3",318.21894,7.689,317.21182,"--","--","--","--","--","--","--","--","--","--","Full match","Invalid mass","No results",{"$nulls":4},1577423.63747561,907674.0970187216,392627.5844405387,679270.4720493691,1192290.622625552,766305.3364788003,1415990.636319941,1724793.516507352,550174.7930585842,869407.2339409105,325156.1880941988,1531223.002650648,5305790.5074074,6288792.561833597,1518069.06570901,460260.2724224294,494036.9062960327,760684.6069045393,650102.844795776,1220870.599809078,1444221.327718656,843663.0202510064,1533232.685334953,720217.9070525751,678837.8819684115,546991.9514767234,4464381.278195762,1090719.774122204,791853.7964298794,1052983.093896444,1238635.67599175,2350248.324968335,2935874.147013696,1950518.38364579,10755825.90949646,12487687.86185502,1716391.57602946,1608584.11642864,2146822.811889596,55187557.06034336,1014297.426932926,779688.3641383122,1817910.213921466,1229733.011793769,759410.1479962299,952669.378458848,1820293.221247798,14932789.79538847,1182330.776508115,1344570.571968628,960340.9066484914,1935322.656136883,1959955.350559387,6548739.270684361,741385.1699536507,1814950.519129164,774874.1559624403,643035.9176081301,1522909.08302827,1877578.372976652,1097354.509708554,1120581.288064843,1134390.047653359,904603.9753641332,1200017.881474006,1083343.327897076,1179320.770433481,1418184.486058805,994668.5233169514,1472580.015937751,1813820.863073945]
["Com_2260_neg","4-[2-(2-oxo-1-imidazolidinyl)ethyl]-1lambda~6~,4-thiazinane-1,1-dione","--","C9 H17 N3 O3 S",248.10023,1.438,247.09309,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},16089658.02726557,22006240.21716366,17005589.14424333,27482358.03453716,5325164.864917828,8367958.484648739,13870341.02875717,10807710.21928716,16291204.26270704,42289816.3679797,17953500.32008795,17950868.49747776,33012828.99014772,6271238.505926854,7895227.159277723,12502172.50846232,11415895.62174708,12570884.95921084,13440414.65998608,16726372.68147784,23181691.06744351,15362754.60315092,14311396.16901786,15484891.31950606,23728090.53162269,15815456.44896355,6886169.481989954,7772372.687592294,12966415.82372378,11527278.53087571,23423289.82867374,12905475.58723018,8522272.743393354,7176882.920314861,14974623.2274875,14111817.83677597,25656219.83448521,5892503.023150052,9764278.149456227,7609980.307444902,14767887.01646592,15400250.98845349,13234871.89445793,12957004.5373349,11103283.64162308,8412184.71188083,10837093.61414577,9360413.804729728,12732575.76025061,20313283.61093444,10416151.5753454,5471357.181254279,15651266.11098971,6099367.058510478,9493874.918248229,9140666.005900929,5503546.362002582,13221795.822078,4302781.80366867,4046443.058255333,3840792.9013156,3162063.682158075,4084220.854546897,3657003.809841458,3098742.153616497,4646602.062640726,3051200.422705528,3849452.98438903,2699415.773104165,3258508.913800271,3432553.230250468]
["Com_2274_neg","(±)10(11)-EpDPA","--","C22 H32 O3",344.23431,8.204,343.22726,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},23854989.73263282,11307872.86505822,1926920.902149225,2894853.001181919,10141127.65825727,731711.8068374181,6636900.703370101,28231935.92239855,5215859.168108441,5945524.589861121,1622728.820090914,7142678.133085802,22026146.25213514,25806512.67874815,20437617.87423023,5235504.195276949,3124082.99356349,7017398.853780273,5323803.945324016,9019635.506272662,10513217.59013942,7743709.468644196,21561475.6985317,6113878.035807956,11775592.33300102,4675567.92085224,41839407.54989124,7821841.528907884,9169158.880636305,5930038.533759547,7850842.331634135,12352105.30899178,11861654.35205152,13820203.79455262,4470419.23353871,26982713.21421253,2355027.19688148,9398886.478050848,14314210.46173767,2780920.606975914,1455271.785786076,6064518.528781613,11434049.62482371,3598786.829644382,7800500.344843421,14481783.08204386,14984822.06927674,5884908.772954564,7723601.210898391,10484460.19211049,8915537.992074352,13011687.02979349,12104014.07197604,22233463.93619181,7194745.406856656,15896557.82013958,13243695.8766436,10241739.81236806,7973081.35838604,8335761.797668977,6979790.386439339,8334643.174972811,6503806.015055656,7001448.316190823,5962434.434055957,6958846.861627772,5406903.940374692,6033104.057005735,9558174.385035526,6222856.285112079,6909183.198630822]
["Com_2279_neg","3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid","--","C14 H16 F6 O2",330.1097,5.419,329.10242,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},85940.24911140924,3207096.159444482,56171447.95417028,42861011.260745,1186188.774286304,39513105.55665638,2084220.365679944,81927.06228362305,6499650.081889021,4130713.950391431,11087178.05764798,14942165.55106492,119788.9884418176,79573.9185283499,65393.33714907643,384421.4951173694,7276811.605205578,704076.5522424155,2280273.256049284,350536.3690262905,459128.625656461,711773.9044888315,165190.5960495952,591410.0517895236,266580.7759115331,4993993.967078043,113950.7214795427,701669.6289552309,624754.8432100342,555966.255212337,471436.984585034,323587.6482685576,144872.3879841903,85069.66655473663,560282.5567581257,102258.6195695843,517957.9836535162,173895.1649043168,129791.1096484496,892606.6143332663,15699470.04875859,4892063.452709314,111984.579573294,11462890.47531459,281307.9506450762,121470.294184889,97067.10597133072,89411.2535245299,100357.2036585918,1960140.614046373,156489.9609147633,76324.03175390049,1304763.167451044,117143.9501486693,86536.40908095881,300992.4236478949,272115.6452513729,105426.2409262757,1547534.21322376,2022828.752174518,1569543.435372108,1717474.208008086,1695044.692570531,1752465.678983241,1571613.576063605,1779135.715332082,1713642.049966646,1676639.820995275,1971777.557352414,1773595.054561384,1671283.224563969]
["Com_2286_neg","N1-(1,3-diphenyl-1H-pyrazol-5-yl)-2-chlorobenzamide","--","C22 H16 Cl N3 O",373.09345,4.744,372.08636,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},296721.2428563042,1922520.579306484,2708249.965470404,1282975.318878445,2152706.021002827,863002.6110226796,2076464.311432991,245427.6473749856,3135846.703366988,1022174.516414086,4769005.33113848,1300459.437524702,401964.3237924173,519284.8195376794,1011347.681502933,1228389.8789742,903166.909336183,869194.2636436644,2266036.651195549,1306907.178843522,437160.7695735321,501899.9043630378,1074470.470328564,736919.6290601594,591704.9760409743,447450.1844777068,871754.5227222667,471465.9574920622,421631.0870765444,956477.7067188967,1162898.153011821,995501.4644179466,978758.8274378644,1117876.867946194,325931.5106993802,684643.8635553353,362068.0674302398,1245123.110561955,933261.6221288028,319297.3197958474,920853.267318096,4220816.580762326,697103.2265544806,1650043.922888996,1038152.454638865,1822985.417162961,159219.7646169864,889964.6015945515,971845.399623326,1276304.581081867,1850802.974419844,1022427.00987942,1340955.585127625,1429160.910686203,447915.2251180792,1698214.06168257,1799579.708154868,131635.8244174435,1957080.80626663,2106846.537717033,3171754.554026853,3993209.627371586,5504112.335692368,5979485.947392309,6409268.831990655,5015499.419588345,5187838.710775387,4706912.782645644,4692322.602869988,3947383.558824471,4017201.824613113]
["Com_2301_neg","3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)hydrazono]pentane-2,4-dione","--","C11 H16 N4 O2",236.12545,5.244,235.11844,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1552698.581164885,7094931.752188709,50848728.62966486,25499434.0044478,2624295.772468722,32392587.00408291,6715159.062317678,1206423.727362229,15314469.28759917,13286341.09983473,51374588.02608977,36168837.69473774,775943.0761936889,688042.4697868436,640128.5812865346,6021231.166475249,25884110.61132749,4829785.860972595,13457385.83625293,11663572.4896381,22124859.11798015,24302947.74147506,2774648.737106435,15018311.86858696,7295639.089073735,25574776.15385268,4164545.914636721,33679200.63581733,15320925.67210084,13763413.30005786,17467715.29364517,10332099.01572132,3811795.882975063,3554846.636478622,40256168.91419271,4375611.97293816,39155552.35419306,8241330.183144287,6964526.032152739,53040186.84062166,47578550.72620271,13068988.4396334,2137754.161148302,24052443.85156431,4682691.383931359,1265523.402424682,4563594.539068773,1277104.556259116,1375082.086975629,4571369.538597062,1575813.842194997,876588.0586168872,9198615.182232212,623609.9873034254,793656.9872292002,2094032.303523661,4959591.472705067,1100164.586344224,9224942.82640264,9586799.60035112,8906035.582250495,10040350.27258956,8087511.823573432,8118032.307711229,7872748.578980854,8561426.407683812,8117002.441226768,9043041.11702376,7738114.415791532,8984769.341408288,7910811.096698246]
["Com_2324_neg","Indole-3-lactic acid","--","C11 H11 N O3",205.07332,5.647,204.06613,"--","--","HMDB0000671","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",1660115.780606557,2476334.921472761,2470836.419556527,2802417.734841372,2490362.650289393,3482917.459404221,2589301.23907234,1000674.925284668,3441374.18278602,8038089.956484637,5965188.898234164,4476576.205239305,1074045.902376368,1623507.372907672,1484911.33740957,1619193.766284855,2557603.601686568,4085716.391514413,6208378.976422493,21672039.80687816,23342279.8274075,13853943.60974711,2665306.533154995,42864964.08473555,7017288.90316305,10928707.95146691,6477431.690092078,14758082.35824888,29921579.23002478,30839122.29796591,28115981.72481625,19500435.58343662,3387911.656969306,4078640.618216337,15406997.03102262,8765452.020504495,12446659.96441484,8085600.361147786,7383435.049448905,52442958.3258381,2857970.991373877,3248285.728616066,1458212.321278673,3465576.354982926,2997602.937671144,1998933.793169395,3044345.607008894,2491758.369362965,2532874.067880401,3549927.967108669,7276089.356134845,1345827.83749961,2723806.254090773,2821871.386215301,1947791.087464971,2980819.029601466,2305662.416035972,1831615.560956029,3328559.28468851,3878656.739849072,2801774.35155744,3028263.43117772,4123271.447189333,2754352.210089977,2277961.135603437,3549300.956985793,2747360.746679121,3315500.886098069,3150104.76845254,3383247.479089969,3657749.409053256]
["Com_2347_neg","1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","--","C17 H18 O5",302.11481,5.559,301.10742,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},748958.827100354,2938254.337093028,21911880.23993792,9612074.18268394,1189493.251003216,16618096.28772086,7616745.815979654,146074.2619915056,9834596.322505876,7888639.483829127,28609695.03835404,48776391.85233697,119376.7118208582,128233.2689310381,152262.0229124754,3534813.594955329,13210178.00003447,4050518.802389657,8315386.586068086,5295701.579910237,7871239.025874379,33685342.82222238,914150.9413916236,8648936.032170547,3822040.949981677,18719335.6780496,1515051.599906273,15556790.31747392,10511426.59752381,5874351.847787218,8684482.002787752,2885969.676814239,720039.4210792312,203964.235044666,8963502.242909847,382983.7148073948,8078710.253040992,1296668.183978454,514639.6937734407,7983240.172939206,25377585.11143065,10826275.63601234,1076031.682393931,14993936.16071818,3246440.550671402,643729.6712182428,1816851.281069121,146667.6616536814,746922.6654143211,7623801.430877426,1812600.701622516,258309.7584531085,4635179.399991285,155325.8522081296,539488.8282240713,801924.4778595065,3142568.520465786,218635.488123829,3568037.49487291,3356220.869155893,3318468.148439512,3755697.966345775,3561104.630747543,2832591.695688859,3370795.910575581,3966038.004060681,3244748.784992294,3999111.431514485,3015020.239202107,3380134.469497544,3679866.473984996]
["Com_2355_neg","N-Acetyl-L-cysteine","Acetylcysteine; N-Acetyl-L-cysteine","C5 H9 N O3 S",163.02965,6.65,162.02242,"cpd:C06809","--","HMDB0255048","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",295420.7777846405,64556.5569292372,78211.00047624428,105791.3240573268,81261.37728842223,349848.6727533895,76397.4056235865,62724.62649905825,84874.79801762436,294165.7445883289,121289.7063152923,87329.53874976186,77509.3196016573,75198.4569093674,62515.82965367603,224923.5004298241,105698.5775311629,65932.67897897285,78724.79489814292,25421120.36558149,31842685.56007524,33493030.25633765,3306418.880749754,27198430.79133199,12248022.04524209,87888.90581798828,3625406.416517669,48324371.18816776,40713172.13098247,20119895.20804048,33837353.09923573,17750971.9125088,1467064.14888847,1748423.32441912,39093608.47169225,1968496.154501677,32693776.04743398,5522817.092858877,2305458.203271034,34895567.24634583,109927.6478848543,58383.63084051515,84322.66568398985,95946.94020005169,85502.97440320796,41252.08977295543,85170.04415786061,207195.4625328098,92510.51690327728,117790.6341958844,178259.6919842864,114974.2202989386,74596.13042118642,50801.68436850046,89318.03499643315,64055.76498016276,48886.33204785135,96971.88905144072,6128052.20814598,6063512.431482772,6341732.87489731,5886282.055476381,6740363.366880168,6027142.655846924,5485669.614212901,5914874.482658635,3879657.830987878,4984673.471512765,3917361.904650147,5226804.281961005,3388263.787993302]
["Com_2367_neg","Methyl 4-hydroxycinnamate","--","C10 H10 O3",178.06238,6.001,177.05507,"--","--","HMDB0302074","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",312529.7149625173,156643.2852286479,15698851.99018953,8795876.651225762,200086.0140557939,9012224.297381738,606174.7726956886,53985.22426923139,3780696.893548097,10303283.98721673,54014922.37550362,39041759.28497267,75563.36667822828,41849.19283915305,56342.63146110963,104048.0740323386,31188870.78533488,1177403.613933484,4126081.515837381,784637.6399291103,2212319.609513101,125850.6341007476,104261.4649541834,161925.0101023084,2283346.320658573,14688176.61765721,166996.601622609,259509.7383946081,629045.2439521714,976570.696731016,1488063.063460564,394151.5629483663,46597.90554721637,37777.52389038424,371220.5384151365,87789.69592130808,156161.2264732722,299195.0896738952,71548.19929548334,485033.1465363615,34809732.17944376,6957826.236852361,76309.3214841461,20099591.98981897,450561.4439760185,58633.72719885149,159394.3899499371,43763.21000857795,71438.18103376334,2224529.997924387,87960.23757824309,49845.88264224547,354569.4974918906,53203.90444061686,57246.68038008431,93480.43046450672,518917.6213499977,209250.2887812615,4129128.54828426,3962054.800899326,3891009.049585288,4137836.646190845,4725855.854117913,3828407.480620424,3183030.712993155,4230426.1595418,2812615.994557851,3856119.502420567,2367451.790468888,4869684.032038934,4231252.332387377]
["Com_2377_neg","tetranor-PGDM","--","C16 H24 O7",310.14101,5.935,309.13364,"--","--","--","LMFA03010221","--","--","--","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Invalid mass","No results","No results","Organic acids and derivatives","Keto acids and derivatives","Medium-chain keto acids and derivatives","Medium-chain keto acids and derivatives",1069511.754202172,3716717.218259465,20565125.39622019,26726279.69333602,1414737.479745448,27244349.54497462,3906301.85416881,219484.9222071582,11187133.20326979,8723576.439820178,31405115.00821358,21616227.86536833,582823.1951413401,144426.8112473285,309925.8901821838,4698126.325397307,26111647.81999731,3739671.317404089,6102372.379247802,4263880.990282853,3854857.267194747,6143846.912487333,755333.1488482174,6309072.029486252,1912843.143241704,19634205.05062978,835618.4730223843,5321853.584455398,5079890.156080122,3698251.849000225,3330733.652572337,2326674.91689251,513974.3955959028,486826.0008439797,6575705.199018659,719532.5483858486,4694197.208919645,2496059.219735412,960571.2573634348,3804448.930168966,45344132.34883671,8719071.75550325,1065105.116661382,29948381.88756987,3692699.47124013,469683.7977078153,3001802.129243453,259147.0405197428,529744.3223305636,3083285.471870345,1366033.343518469,622957.0127698329,4491572.891018125,213225.6637732538,623488.4139561885,1013273.7937741,2671776.906314826,310509.224183035,2705027.3604449,2308337.753825342,3007602.371050683,3091859.066837166,3181470.627139654,3038086.081567035,3536719.776482755,3478292.303807068,3069311.218366528,4147278.084148165,2340886.101955234,3280160.011780442,3186792.939472485]
["Com_2378_neg","(±)14(15)-DiHET","--","C20 H34 O4",338.24501,7.538,337.23773,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","No results",{"$nulls":4},6984980.290280342,2187733.718155364,837344.5430734497,1059486.929859723,3369279.880002469,417690.5228264087,2207351.238185581,3236892.199683452,1621549.150524238,1159917.520193523,642682.5836894009,1716998.075400428,5872649.449970552,6897572.193771849,3661007.609854604,1460588.078419831,1000397.455053595,2392341.77732029,1329878.771700351,1752465.518497081,4047620.754271466,785705.5110388264,10818868.77668672,1356409.094664715,2649234.185162549,2303890.262133505,11967515.06513746,1236043.394740851,637058.1653786281,1506648.014702762,771567.5845336285,1982042.910962996,3310689.338026276,3913857.647590943,678684.0507590871,6925543.226207672,435641.8986602881,3498603.322502284,3844893.412200696,334056.5427458027,818885.4719387576,1307092.689944038,4102116.686932695,862356.2546419076,2617824.34781008,3747868.380312571,4474562.801341246,5719493.168221539,2146753.052052268,2309001.773832028,3291935.16946702,8505219.344136082,5171606.738881688,10900512.60114559,2538093.416922689,4795831.065023255,3824842.555924088,1125917.322441608,8245587.59875638,8247690.292332652,8164031.727264835,7610995.291868699,8154372.710866745,5920758.558687842,4925691.342577165,6551288.203771596,5221373.738188222,5641239.284118384,3864520.574638982,5327860.726397621,6056189.195354562]
["Com_2429_neg","3-[4-(tert-butyl)anilino]-2-(3-thienylcarbonyl)acrylonitrile","--","C18 H18 N2 O S",310.11606,2.417,309.1087,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},2876426.741492703,2538763.674639054,1450912.21654941,3137496.865837553,3185724.294337101,528126.2746451296,2559788.346305665,1153583.734194207,3846434.077293847,4116842.811020321,2342149.276703757,1722087.520740456,13363610.0018778,14366192.79240862,13688585.77529623,2817177.947847415,1535741.56297571,4511672.868474968,3309250.025098118,5293962.58935264,2995115.388354719,1176491.213302718,36349561.31322633,2593028.796792112,14090522.71668051,1841037.419153809,30314172.82248227,724520.2139523833,2136532.951044711,4209213.011686019,7080081.504222424,4838977.738607655,5353008.550266268,6442639.392108749,1380807.721212384,5356658.694218268,1623961.047282877,6736805.702216812,3883734.56579949,919415.8056187116,889149.6910122386,3351773.443686495,3954898.717456477,1293228.629258021,2626185.742093674,3277841.142166796,1028145.689098909,2839753.138822161,2506722.718799368,3282941.62750532,5400196.632103833,4904497.592787793,8776398.565926772,5118625.908968942,997060.9295001968,5880556.049587873,3732692.734818821,473585.0818497483,1662437.41438821,1514157.178037914,1908278.507810208,2197555.075649269,2472796.116772497,2089760.065413803,2223224.510075704,2612798.594044455,1854366.249888098,1837247.24196755,2106451.025415359,2330666.806547165,2485311.30785898]
["Com_2430_neg","Kynurenine","Kynurenine; 3-Anthraniloylalanine","C10 H12 N2 O3",208.08424,4.777,207.07724,"cpd:C01718","--","HMDB0000684","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","No results","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",156361.4139995214,354039.9759191472,1954660.300051782,675179.3430317844,687024.4689826028,804256.5235165523,1450006.272602913,1107476.243565436,1219250.836105751,813005.234420118,612093.7734833773,671226.6461482451,356627.5799716437,2014393.303961086,1031297.25674053,779006.277393155,1000458.627831653,695465.7296980239,667752.8639296553,762230.2325689358,2062019.516095496,447330.6270398504,2957069.619890431,739805.3206198895,453859.8451969912,418116.587970245,524938.5692259222,454012.5004987105,357502.3627357125,815334.392438587,995359.3116342002,945123.2528969604,5099274.572510706,8542338.870481135,1194763.333832752,4815931.34663689,2106523.170841467,50582214.77340233,1277945.983553707,432701.7273259813,442743.1506208136,1930153.948956443,1365938.472198898,4090116.8139699,1084143.802857055,8398564.412968293,312149.4979745423,3341759.79060902,2085143.517271157,599438.896819321,770541.5561480436,1617564.383997174,822207.9592664372,2051515.860499712,205471.117256368,1017994.499871377,8762644.740475573,454417.8383775995,2269790.76473288,2135546.846964321,1963022.671674929,1991918.435199385,2035856.318322556,1935594.620918493,1944786.567309949,1855622.193923858,1896434.917778543,1980449.10563609,2399967.295018623,1851322.042338712,1949838.986044151]
["Com_2449_neg","Calycosin-7-O-β-D-glucoside","--","C22 H22 O10",492.12584,5.452,491.11856,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results",{"$nulls":4},54757.23597827491,63572.74140280578,136352.6290675325,107077.4485531278,67861.7528999891,140888.6855997945,56381.98039260492,50478.5167872522,81492.62828825544,84854.58845984215,140509.9005896176,135009.7614054917,80205.9326045711,47887.72097822547,41026.05911148644,69109.28865342986,138829.834531391,52097.27638500783,90480.57730532656,119999.2860068469,158199.7898814073,178129.149598393,91548.21057030204,153336.3459778657,115336.8897288796,155724.2534207976,68784.11977402275,385868.0077227175,280666.5824115476,171205.5078032215,190216.4527205096,116807.5605618274,48173.6138311132,50351.43259297739,175614.476675596,52142.81120572418,169378.3972582082,70933.69612386072,64773.9547452538,342595.5767194667,151483.1939973464,69961.78200771617,51885.65199625568,179295.7015940817,141304.5113104928,42477.72885588696,58987.13370485458,43388.46384214101,72694.63018953332,57599.00204902775,54440.75694284354,46112.05916295674,56000.73125166676,71507.69040621417,59114.66091354344,51598.29959890651,50047.94904849207,70589.20927939212,217729.913184002,246572.5654936708,264252.9939223427,333605.0115618464,231678.8201804421,138941.3666532393,206572.9473101215,201548.2734298018,81166.095429431,221147.673204114,251553.6494117017,235644.4294372382,229194.4428738521]
["Com_2450_neg","Astilbin","Astilbin","C21 H22 O11",450.11355,1.453,449.10602,"cpd:C17449","--","HMDB0033850","--","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","--","--","--","Invalid mass","No results","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",4693193.941308782,13564037.80694615,17297197.14941204,30535281.85773888,2383806.739190537,20869478.89834386,12865379.98767352,5112988.0370008,10956566.20939354,23925822.43235886,10509632.17382572,4646497.792376722,1001536.224331083,1729576.610772527,2001490.459103584,8389758.288457556,9270136.222938385,5557129.773617862,19312903.55520067,29559625.64597499,36042870.40624893,3268830.648207386,3947911.255190301,15363150.89914964,11231574.38437518,5712353.557336969,3642930.140308388,11287623.90538288,42703794.08926695,18729669.14461272,23601030.60284575,12750913.1900021,4330385.238358208,3514146.197522532,41924720.90176764,7960240.93609877,42407407.49326589,5716715.980609198,7977791.448675622,17752578.53131509,9100556.626255997,22491036.62106868,3253095.280971379,6660011.304961092,5652541.721969714,5399240.450064986,3533046.208121725,5524693.108785307,4587136.405513859,12231794.53056226,2498195.805170816,2158025.319056331,6317618.042872364,2285385.155558454,7550212.443697354,2786051.764079341,6492827.824201353,7509433.777565196,4122440.17548725,5280754.798811167,3609049.50960083,4240941.665802225,2761337.166387116,2721269.33545975,3140316.72024119,3785506.957853378,4614576.108284353,3254151.45715352,4051600.812644813,4015743.443735885,3974487.833158111]
["Com_2462_neg","LPC 18:0","--","C26 H54 N O7 P",569.3681,10.409,568.36121,"--","--","--","LMGP01050076","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",35332015.94911063,12700240.97540564,19855380.58732913,354541.8234814892,32226140.22494503,93812.28839776262,33939483.28732474,44787644.80548736,25815757.46353124,20628143.70966095,3545803.028204937,3530016.60899999,31049786.76509862,22327694.86247855,39648832.25775828,22604566.50446918,993414.7654107652,14542366.93410047,16651842.43442278,21832688.59766858,1509100.864787947,4153410.152154001,9906698.0636289,33803594.39025308,25954928.71950089,239418.9026742049,12608864.33948399,502942.8306345149,1023680.579032532,6872910.829441537,3650232.567882849,12017492.15162075,12352863.13901092,16041758.47518149,6465926.184777344,8928591.193421261,228707.1779263265,13658723.73877305,30503580.17398393,668258.9926916012,637892.2537453279,5601674.133023906,26755777.30872692,6299773.02220902,50682019.4123009,25671329.64504164,50338447.28337603,25837266.98746837,34234192.01570315,18370878.53292458,30315805.19635399,12742165.67020547,19857379.49024989,17025979.00944585,26904109.70119377,48847611.23868628,30748094.91798272,25351631.6081356,17745486.5038661,16266366.47242549,17998773.06446218,17033404.60633925,14863802.29036932,13115752.65829537,11699871.26065359,10856888.79767569,10367622.76736903,11505917.17139297,9486878.144555869,10825540.62380773,11221429.27017061]
["Com_2518_neg","4-Toluic acid","--","C8 H8 O2",136.05192,5.849,135.04465,"--","--","HMDB0029635","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Benzoic acids",691359.6714449648,1715172.924962574,2969559.676914663,2551372.324326859,2086056.919417105,13824289.3157248,1253332.478203384,255500.6186873867,1491121.934953667,6387343.926585085,7094620.392378956,6081906.017439834,170038.0945678942,249185.2103770036,190419.2767777919,1052364.747877454,4689146.268420751,6007599.587505011,6569565.805699937,959100.7783441172,1739841.157166676,1561913.424074608,205270.1257999225,1310891.154033909,409099.7751006504,31066223.64660076,194104.9048670794,1706532.719487339,1786822.400550899,1337371.437474532,699075.462266266,384154.2498225902,317011.8604730161,167036.2951313101,2036859.945565633,681427.6979921467,10295329.92172794,880509.8557451676,656867.9205545657,1187453.907822122,8429933.669464277,1780461.067520171,2060259.365614954,2641602.450242819,1074137.699024107,639210.6366977744,2643276.693358538,299460.8343822959,1018234.219143528,805345.6987632418,1035384.924449337,296978.4973577248,740109.3581839176,239588.4930030612,356975.0264536544,971162.8019653556,5092829.711417478,235152.7705492361,775364.603571718,1013014.781116224,915367.160062725,960041.6959410376,957672.2756242948,695487.7069262,721527.5945626975,1038493.132048709,991485.5310254368,822157.9248511023,864937.6953689811,918063.5197117734,1623737.799108856]
["Com_2537_neg","L-Homocysteic acid","L-Homocysteic acid; (2S)-2-Amino-4-sulfobutanoic acid","C4 H9 N O5 S",183.01958,1.523,182.01242,"cpd:C16511","--","HMDB0002205","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",12059289.0678624,11412934.04968518,18147968.9375097,6790090.657291544,8213208.237093843,7843148.405870964,5621340.365921348,9361882.961692307,10738414.77859539,14744601.74401609,21231140.14501314,26230293.57315704,3487400.707774953,7579949.964244992,6090267.635756526,9763796.82800383,11558572.81238323,7797731.757341208,7695964.255143763,9451925.259785565,10838019.76071389,35551243.95960678,8555024.202987023,17190712.79807543,21321101.45598375,11459690.84127005,10848968.37003431,42770530.96424042,19289686.42984186,17924960.20578131,8684355.077329691,11028730.68709198,5746978.112682219,7178314.013475531,10155680.93792791,7239528.903614129,9267939.26687752,10225982.63790284,11292489.00290038,8086279.895853496,14278796.48710366,12068877.2724127,7069763.523824278,6054865.219264938,9854821.507432606,3776340.317594795,7707770.907525062,7644305.690709909,7935500.476257429,16918655.77949846,7853728.623453039,3489357.551979062,5330806.092250626,6606294.207551504,13786769.68993435,6205864.001287091,6293104.417659461,21543356.40226433,5088941.57581723,5475848.465149389,6167285.156051689,6417016.046248031,6369459.006709945,5450800.330403176,5865441.670472382,5164967.825102763,6011025.840698465,5623665.367907984,5684029.404757744,5390254.842704912,6523169.804138584]
["Com_2552_neg","Ergothioneine","Ergothioneine","C9 H15 N3 O2 S",229.08768,1.452,228.08044,"cpd:C05570","map00340  Histidine metabolism","HMDB0003045","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",3932423.188615735,9730205.239793625,6133185.13048671,4152774.79319062,2884293.248156864,2960482.114540194,4377360.20659948,2239828.527246651,5218787.599383438,3991606.058393396,5115928.871605791,4081744.058986647,6461687.304280836,4482177.69461027,5179593.722139238,3511390.155678354,3742146.778290219,4320780.056776037,5087263.742827975,4533025.63479194,4690568.121236907,1921522.991984612,3636757.909709713,3416927.90385534,3953333.592808748,2734961.964671379,3436406.634489916,2331797.516949056,2888884.883955566,3181637.055459575,3350405.613186533,4664018.619802835,2539949.159333058,6431687.861547749,3308399.080447474,7027471.612609011,2481421.759170565,4019171.44680298,3213868.465151677,1862254.036143666,2787032.760046659,5512809.260886262,3879401.428676777,2513774.254390957,3740821.206448825,2594743.063443665,2445106.802872816,1939297.430836747,7733749.959659818,8803369.512249969,4741447.655704935,1733897.003556911,4414372.805494476,1506963.072433657,6804669.25314323,3984248.445902393,4802233.661656847,4060805.101549449,10801059.9413227,9628137.640617872,9742839.710406922,9377316.453188349,9418146.406723768,6773387.785548221,6330336.632499679,7119459.615150498,6686191.968095482,7107592.034887081,5604746.474560623,6753380.627333469,7098977.724042519]
["Com_2567_neg","N-{6-[(7-chloro-4-quinazolinyl)oxy]-3-pyridinyl}-4-methoxybenzamide","--","C21 H15 Cl N4 O3",406.08615,5.328,405.07889,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},92191.875483793,117225.2654213713,263389.4054693854,183948.4988497398,85297.51159776757,264776.750150547,123388.4101139244,80511.54096910813,137847.6385177893,190434.1318119685,262944.6280324574,400263.4303556632,124401.6611978358,73773.1532235498,68063.89395250767,122298.5265598569,342456.2762184825,112776.019488797,150755.9217987911,13141637.02828419,10879350.57516362,18466369.55567164,2178966.476705082,16330896.52480986,7456543.444999211,261515.0867190572,2854273.313658375,42073070.60815898,29606572.62741301,23031879.03718258,14270695.64265529,9727079.078793144,1190098.853262494,638745.1221029203,9347002.500664676,577237.276421612,16952475.51598908,3081305.505765338,606334.5279661497,13968072.60496809,293820.6497281216,166209.4774340974,113741.798313103,211404.4401360222,138586.4725183031,68981.36198837314,99591.14725765683,95459.39822366522,110682.1600893726,111717.199855513,103881.9011400594,69036.74608760598,117187.4014412446,69245.73300426829,78256.57822086936,102177.4960176578,105118.2272519182,90522.92368700446,2211228.40426361,2473059.253739404,2958591.979349544,2676189.890967445,2534378.261886706,1984786.13821833,2005483.21676345,2095719.731308574,2394906.198282178,2373351.577788129,2080232.932601761,2104129.601660545,2449626.294096358]
["Com_2595_neg","Myristic Acid","Tetradecanoic acid; Tetradecanoate; Myristic acid","C14 H28 O2",228.20837,9.715,227.20096,"cpd:C06424","map00061  Fatty acid biosynthesis;map01100  Metabolic pathways","HMDB0000806","LMFA01010014","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Straight chain fatty acids [FA0101]","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",11347588.71964686,16752001.83865721,13275850.18127751,3352605.749766246,9623711.604691906,3241307.36089425,22307571.0484841,18451492.84596952,11576565.10620753,10255407.69128665,5538334.479886097,6647743.519149584,16657204.39867223,4582855.801957697,15971600.51878678,13826690.06111972,6950091.866132606,9511712.566433605,24265451.94163987,8590415.703972584,3366864.662255535,1524511.990340104,6166155.742257245,7581019.043371677,14896648.23977696,6316087.63920616,13949183.02092903,1510491.965292567,6101797.82411672,6853747.869359989,6585585.970074669,12535148.33746135,12565831.73406621,35853051.51185644,7530829.329587303,13127083.4534527,1843707.700695452,6688873.994980799,13214246.37394245,487999.7349351432,6760180.783898802,6273959.546098262,19854698.81799463,13108523.62014135,31392741.30811998,16060970.64289975,15266739.43385959,17437878.60019633,15547089.88030544,14826864.96689414,15026467.32720036,10400704.35894977,17892176.38546258,9146251.334335469,9320394.733744685,11740212.15187905,12746712.63638418,6342827.335957257,7184375.69568159,5579401.051157684,7269351.189650708,7836829.508685632,5554373.352148714,6259166.423588303,5531641.673344031,5458526.959199041,6290944.700552822,5731838.38226222,5560351.662323543,4931135.20367234,5936291.554516928]
["Com_2639_neg","Glycochenodeoxycholic Acid (sodium salt)","--","C26 H43 N O5",449.31323,6.585,448.30591,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},1481336.477781456,505103.8461406654,534241.8052288776,1014844.411300986,1772935.806028168,674015.666144884,1446452.911791298,305819.6087393998,1342745.982584528,686271.686657856,3121617.082201149,1318092.069908608,275754.7618335172,279760.0575813074,68594.40544473578,1684628.812633717,1163457.769402436,486685.6410329521,1326751.296790707,769903.3552271683,143976.4358586824,89500.70195989974,590221.0148175918,90933.48893430045,1897556.733629267,4651903.831541707,67853.73935535719,89886.94998934018,313497.0331005637,146785.5398489478,235277.0530680063,750880.9460886976,1408384.711217545,2374147.506642894,197687.7594438971,436855.0986950786,1221901.743133237,909635.421263055,88545.08440691355,150696.493917433,638944.8672647187,1657011.689208431,1000124.637554058,697379.8514132088,1432021.334667519,369239.0978812446,566204.4655763353,5417384.714821527,121027.5227713584,1376315.198319226,627142.3679123509,3194428.504097482,2091262.761727236,230137.260592459,132436.9946812034,3061486.463672319,56727.87306436359,185822.9623548617,1650652.9066079,1577927.126324383,2154960.931235957,1845170.902915884,1423355.98920162,1436767.92274284,1721108.27424727,1300718.267844292,1193687.115432602,1563354.817256258,1570368.580599348,1339085.577785002,1208809.241905673]
["Com_2718_neg","N-Tigloylglycine","--","C7 H11 N O3",157.07322,5.295,156.06595,"--","--","HMDB0000959","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",7928497.592319061,6117587.311141696,7716133.926182167,17223238.06114825,4459743.893493029,16553343.50872603,12697534.4191352,8614557.715815239,4367947.000411388,6833211.305955544,7155566.679926384,12436541.12412579,8545035.755937174,4581453.514889377,2412340.967815128,3361700.100916596,12203895.80344023,5183773.839873367,7720019.378007209,11639743.81196724,15024342.9327308,11848833.63735049,5211736.987474388,12618323.14671739,6819871.650439504,11329236.75175476,6972411.524948556,12328128.57479373,15326700.74660614,8168013.394465516,10117835.11203801,10910122.1418569,7542773.430898145,10686068.74400992,18751301.8212962,7015502.049582225,22368868.55032909,9537277.07375428,9593850.281374266,20138773.98261114,13040523.77000051,12963452.97972044,15313711.76407862,16608559.2132757,9389209.882251356,8554054.19177535,28727577.93690747,7173622.042615667,5668026.88073125,7230168.088239926,3744882.213783668,9676472.455962935,15400088.5268207,4165738.029768392,5389051.27723357,6937452.989728407,4597605.283426194,4567378.855304109,11296630.4513723,12040412.95193713,11824554.13195413,12501884.70875716,12276014.22500283,12138316.03249955,11243190.20394399,11486024.30065673,12292241.00364297,13399844.5619245,12536839.35548032,12423257.09609353,14899147.677656]
["Com_2732_neg","Vitamin B2","Riboflavin; Lactoflavin; 7,8-Dimethyl-10-ribitylisoalloxazine; Vitamin B2","C17 H20 N4 O6",376.13652,5.651,375.12912,"cpd:C00255","map00740  Riboflavin metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0000244","--","Organoheterocyclic compounds","Pteridines and derivatives","Alloxazines and isoalloxazines","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Alloxazines and isoalloxazines","Flavins",994106.3983478292,442864.5613438286,445566.0113366249,416624.7352473149,643296.1658449324,437328.6328966707,276562.7417598939,917520.3461798108,481108.143029528,275129.8048191651,410884.4825703258,458750.0706267689,344929.4109017381,801066.9347271047,736729.9429527693,439153.1044819303,545771.0587019905,335950.3731607065,255535.5357042289,6809424.767188503,3186536.447844139,2831141.265781972,13601481.85258026,3220900.358136159,10523117.87268371,435457.9167965866,3444690.657806119,4475903.78384928,11230177.29894276,6683682.416298199,6396601.132130607,4022547.253137853,4920969.198561455,3360249.169644555,8325236.527536555,1264814.23172823,7974236.205683371,1940257.310469042,1657894.508537235,40501675.66467283,499055.0778114873,267544.0469411979,900331.1991226375,352668.2529436497,602969.9107911935,799061.7887952387,585269.6844881754,1446568.385645603,1027611.338558137,547380.9649198665,1184230.381575265,1678161.00677116,388758.8108650749,1913646.14671816,1330551.239231007,1259523.607588268,737239.1081443332,1300489.213136943,3133468.77882036,2120986.290147289,2355044.457658699,2063355.369508213,2505207.087601209,2262274.304223191,2014626.51125286,2072914.916484965,2080486.248100669,1904800.513225114,1860552.417208607,2822576.302386254,2065283.438697518]
["Com_2786_neg","N,N-dimethyl-9H-purin-6-amine","--","C7 H9 N5",163.08381,1.381,162.07649,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3089330.755324637,5746505.778552848,3349415.80469301,4290365.38287031,2825376.098391685,1865354.760897713,4851945.95750904,4447863.603532113,4220539.270670223,3508702.284962866,6461518.144972243,10431977.10093245,2838470.848133239,2305777.069592686,2188221.06098185,3235307.389792942,4529210.217443947,5089689.826848274,1852909.459856332,4611686.245502192,7641091.489698526,18353023.5984195,3246262.192477647,10078318.46515258,4226197.699103524,1836241.071531733,4087774.272645056,31825575.48917671,10606486.7948086,6320286.708309687,6562019.265646575,5403963.426535612,1464400.916254173,3703786.21535132,5726170.797630192,3176165.879755504,5439667.612547187,3004371.393803512,4509843.701336713,16789066.87702297,4575612.382178959,7943234.728143642,3587876.57076468,5770985.959198427,3886191.075192788,4174689.226127905,2612721.181298471,2939742.141531742,4150835.244438461,4356831.200192619,1762688.80095747,2060322.3120615,2510411.015077803,1938819.223802529,5442440.268426552,3222475.873875008,2341099.185331688,4483459.49962326,3485679.42395389,4376905.649997209,5452341.706057436,6208545.946306007,5677256.226719362,7631679.910125518,8782976.841696233,8503167.265427988,7311407.970825709,6280898.35677884,6831612.959458386,6898253.712370657,5607343.837432346]
["Com_2835_neg","Cyclic ADP-ribose","Cyclic ADP-ribose; cADPR","C15 H21 N5 O13 P2",541.05914,1.972,540.05194,"cpd:C13050","map04020  Calcium signaling pathway;map04921  Oxytocin signaling pathway;map04970  Salivary secretion;map04972  Pancreatic secretion","HMDB0249529","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Pentose phosphates",845585.0534057822,805978.8913974694,905203.3171475744,938031.2942999798,934073.2180236306,645465.5664111134,780267.8426353692,1362334.337731558,1037901.117713089,649164.5186379427,809947.8792789223,925883.9515507298,635459.8536740582,1116209.781758559,1610395.530592991,876271.9193470832,738835.3165223827,1000555.312198563,789836.07017413,742550.0696075921,1020417.118100739,686899.1215595406,1122467.011117594,657711.4333100504,738313.1290183052,673103.4755771732,1016258.994416195,666858.1640118248,684318.5405181067,804797.6511836259,720785.2842869065,865975.5610742193,850813.3452261648,738826.2853604996,834405.9270219114,898221.5012899409,620794.6764183815,1052676.506097857,966348.1929037322,675610.4453425022,763097.6214702377,1075625.559297528,725693.449808133,1043587.540956941,935735.6348493592,947840.9745362188,920491.3291226476,992730.2103889328,1020630.911338394,861782.9803534586,862626.1053493241,950466.0694005236,776390.0312816515,884033.2153159934,701343.7991894452,1109779.414810304,998593.579333232,668218.6995683083,6486560.74833985,5040949.178895766,5993413.277002836,6057109.782563389,4866384.318863115,4121055.882219566,4047489.709397377,4622607.215531033,4283402.278672387,4278626.492506429,4650381.255707053,4672732.251239154,4495031.46850045]
["Com_2839_neg","Dihydrocoumarin","Dihydrocoumarin; 3,4-Dihydrocoumarin","C9 H8 O2",148.05189,5.713,147.04457,"cpd:C02274","--","HMDB0036626","--","Phenylpropanoids and polyketides","3,4-dihydrocoumarins","-","--","--","--","No results","Full match","No results","Phenylpropanoids and polyketides","3,4-dihydrocoumarins","Not available","3,4-dihydrocoumarins",438949.3226131024,1006530.330454808,783284.1885410568,891138.4840434691,292125.8618326741,401773.2297067638,1267833.198438567,247090.4028276821,1103688.213098174,2589910.132569689,3809110.513136396,8463848.278799627,345963.1015380946,331342.1060655292,292026.6177998601,439653.20341952,2621088.913886416,3325732.829145472,3844289.32598108,4987496.267784504,2157506.941072746,7184226.670874235,442072.3957921437,8288876.698353398,2157007.953821066,25948826.55649804,585589.0721668507,5859611.374948814,8880666.949182168,6648529.060366148,27071860.95389867,4729207.449096093,886599.4354884007,918673.0276963036,1613456.829936547,1205552.648103286,2758856.300765321,1412162.023974367,1456539.215440441,14258554.68312727,3015752.277130665,2445183.27805563,256752.9596101133,2594445.282776241,1010615.747895926,679405.2190570551,326162.3442708218,310650.4974925903,331855.5445468792,4468359.549524611,1842241.195757801,382085.7233832701,3055954.921124197,621008.3890200532,326808.0684638187,955458.2487390304,1332358.196577107,321551.7685974592,1221974.53342317,1389544.592701497,1335916.065963257,1118855.587812621,1270459.261626684,1219313.397265843,1256125.084691165,1016440.357785772,1242891.064624102,1351522.933005873,986538.4450092504,1190573.169570116,1343560.923194807]
["Com_2849_neg","FAHFA (20:3/20:2)","--","C40 H68 O4",612.51155,10.536,611.50427,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty acids",10479620.73711,6755557.481225263,10251612.01794704,3197421.847428068,9998217.05004127,854629.8662567014,5299218.86122433,8355982.279760918,8578383.248501852,1618899.908505342,3105950.672374028,4727581.726348934,2364789.053274083,9690587.870439272,9958266.863612885,3238021.13238044,8282452.421955946,11581047.14414244,10361021.32740344,5990056.543478919,5328007.203991687,3160226.202374457,28579484.72548674,3294621.981219171,12247162.6319642,5123297.760030043,26026259.63672059,627816.1302322729,4542565.027723515,13347492.07022577,2396043.326014918,8089895.430741588,12519782.63593433,7849655.985123853,520477.1967938531,9258328.006593788,114818.7090326716,8410699.859649643,9675880.01660081,444228.9318640747,1524619.423423752,2518521.499262677,6274366.921654697,2501672.790787846,7926806.373087429,13066578.84923734,5107622.980454882,9398467.83914856,11634897.97895278,9235662.965839162,14962243.19102022,17389717.27824343,4898502.375890319,29019087.5247944,14399283.56464965,20281714.80192136,17307214.13104155,10204411.86589656,6719690.45266055,5811047.284695895,6165380.045393492,6361457.169308992,6060525.923899431,5341061.21399889,3660989.897429946,4098793.107868544,3847412.700183933,4459505.920486294,3291332.020724933,4488240.225682506,4398554.824722026]
["Com_2876_neg","Diethyloxalpropionate","Diethyl 2-methyl-3-oxosuccinate; Diethyl oxalpropionate; Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester","C9 H14 O5",202.08371,5.346,201.07632,"cpd:C04067","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",1164530.817201271,4685847.057901035,30618052.36173441,16415188.18712536,2672553.48580431,38830660.77192949,8085437.620824519,744696.5475195611,11440795.04962267,8139762.069571576,35076226.40871287,22716494.34950705,1310343.412105535,441851.5108059957,751815.911671562,4034297.69752396,22394182.04788181,4575288.005387206,8614533.380350031,7685997.397538587,10604013.06146026,13343933.45778151,2851338.923622334,8734839.83062061,5719242.105126217,24620502.94118515,3295180.764668128,16730516.57291792,11422312.28046153,9347546.85905884,9266100.356946724,8158727.176732786,2857839.613082163,2505748.277510923,26726833.61665932,2456839.383230536,15560893.0306606,4932714.190693588,2525618.464236141,24062986.4605965,33734425.64837292,15044539.024731,3721930.837520042,16239886.46358474,4214976.984290573,1131554.12708472,8124680.5171275,1071378.360976251,1737777.138746151,5036825.026057254,1917440.274516314,1030288.153063781,10539045.82819746,568422.9239894479,1169561.173990408,1770312.107178096,7645525.129049682,676423.2404188876,5884912.47621421,5888999.058840643,5437765.233301981,5997524.53588915,5561353.689976972,4997579.579627571,6288510.325623901,5435398.350060506,5669629.450640962,5923540.806706025,5161128.537169285,5699474.898931368,5705247.916091757]
["Com_2895_neg","N-(4-chlorophenyl)-N'-(2-phenoxyphenyl)urea","--","C19 H15 Cl N2 O2",338.07725,2.032,337.06998,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},902493.39712923,1153230.681652738,1612355.189927028,1320462.01836804,971967.067016262,2267186.070180652,782940.6332178526,852033.0240733706,1363425.235063864,3594420.66353113,2419344.915952129,998314.8827279456,679608.2402201782,1203529.703166074,1152331.11168733,2202432.126968871,3519829.372901204,1235032.993720544,1765692.458182879,12877217.14495481,12456037.08427539,25108501.65519784,2638459.480970705,13248074.12443498,10885243.94787562,1589361.377023439,4085116.661702351,35145924.22469552,21739386.20841458,12075554.05412858,13221411.00362422,8251246.500228098,1593441.342163973,1660102.300058038,21667241.60167057,2113154.516103702,26219118.3509836,2875209.055824094,1982836.533729533,22482302.56912014,4166704.456041735,1375866.391542444,1002531.348828178,2038988.945458713,2909861.8120652,1021989.580610008,1059230.419915686,1070390.45433829,1035262.35209288,929199.3597335448,1386584.933777025,873064.4794851752,1010385.013463226,1072016.713608098,640249.9152918649,1070819.3568693,1076712.508490124,720492.7481234197,2824128.09172327,2974230.179947495,2800574.122330321,2617380.490107738,2658540.013115529,2597500.260640203,2315697.15506477,3184359.228943005,2491105.748537809,2639155.245373623,2518481.313168583,2911975.613098476,3210172.937990867]
["Com_2917_neg","5-Dehydroquinic acid","3-Dehydroquinate; 3-Dehydroquinic acid; 5-Dehydroquinate; 5-Dehydroquinic acid","C7 H10 O6",190.0473,5.009,189.04008,"cpd:C00944","map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0012710","--","Organic acids and derivatives","Hydroxy acids and derivatives","Alpha hydroxy acids and derivatives","--","--","--","No results","Full match","No results","Organic acids and derivatives","Hydroxy acids and derivatives","Alpha hydroxy acids and derivatives","Alpha hydroxy acids and derivatives",407787.6094908064,979367.9252493448,2968548.892998473,2397101.515393544,419986.0993592861,2186213.115798776,987393.66755744,291399.3227975876,1479872.122907187,2337594.348140715,2563416.339271203,3779624.386464007,266608.9113115923,199993.982807942,190891.9475164729,627328.769020019,3090985.787760741,553655.68730607,1650253.196842449,17893912.47342983,11638741.36459658,2430858.510025483,668347.5939402734,10854997.24984912,1923398.672958614,2556276.908459435,811883.8120405328,2524032.968251021,6259939.839078511,9535711.498622188,9525660.19876068,2758238.455954858,1280032.81128718,558255.5509094812,39025821.09816554,2914037.435177692,23975511.09314276,2806053.512662152,3512317.581709613,4198806.525729028,2836978.966513501,1797592.811340737,542891.5333981856,1337792.519793848,1081615.601788404,204023.7354343323,495407.2012800269,1358740.640210026,263361.9959989971,422257.9476970385,434388.2286821288,289445.5810300353,2404382.166573157,234824.1314430592,160678.8253274037,263917.5078330241,639589.8123842977,243506.0384451313,1417071.00636369,1454975.51762112,1449895.310323119,1536207.742053944,1428409.333161699,1414829.94526523,1420998.325238264,1444186.984285166,1339063.691799235,1626342.7077058,1570712.615653587,1477625.618644406,1595698.418784718]
["Com_2919_neg","4-Hydroxy-2-Oxoglutaric Acid","--","C5 H6 O6",162.01591,1.525,161.00864,"--","--","HMDB0002070","--","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","--","--","--","No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",20227423.76390592,16052464.68028911,8557833.151497956,4556143.306193202,17582161.47268041,919343.0862751596,12942495.2684381,8146800.494932295,6802196.473121467,1813220.063445005,1487882.576175016,2112356.330285418,4125681.91788958,19771530.06687661,8419258.49299224,18694425.414331,3991952.913472455,9729820.216158202,7916557.072264273,7475194.353971655,5033035.232165541,2709942.99530257,7729098.281952382,4915568.266069136,12670796.11751703,2818962.698224174,10170606.94631179,2764892.624029246,3785909.538812357,10240343.71743588,6989330.412209541,25991556.24157277,5994437.760076906,9355150.670495749,5130964.593443802,12800712.31089683,2774803.31185492,12977939.21250557,29157740.57970272,2289381.699900998,1552079.922264583,14684933.25345055,14810775.52236666,3109636.944503495,12117059.02217758,5489375.323030618,10649342.6353294,31094897.59534957,14019999.65031549,22614233.1282318,10499606.46535419,5931856.25703944,6880512.644520953,30227114.73675896,38000642.88523823,15326885.05295528,8647184.764042249,5734509.014263637,4456192.11804759,3603948.335774976,3918416.843962984,4168575.643262365,4390668.633933689,3905097.918277985,3803109.54158784,3952322.730660335,4233677.900465874,4352254.65546121,4538705.73402789,5057350.676684903,4670761.287152491]
["Com_2937_neg","Thromboxane B1","--","C20 H36 O6",354.24014,6.775,353.23273,"--","--","--","LMFA03030008","--","--","--","Fatty Acyls [FA]","Eicosanoids [FA03]","Thromboxanes [FA0303]","Invalid mass","No results","No match",{"$nulls":4},27154473.87318633,5792438.023886696,3390509.144227111,2861848.107283392,8491973.627622006,1212728.322293806,5102108.451624994,14599560.22699718,4298063.796181364,7534913.854882969,1769280.80774477,10382825.05169837,25480972.34274004,31852180.36551166,20921593.86146532,4287275.576019755,2714144.311686884,4928494.841541322,2416167.797163753,5221146.157797554,5655536.64005746,2630645.30718944,16681318.12115315,2517892.628082989,6440294.897555239,5627144.019021943,16883528.4260872,1613955.900569917,3214863.195262046,4083839.2321659,1559112.856760674,4176788.126834041,10374114.76435971,6295542.999205813,2145394.698046685,24458817.46014394,1985185.029021802,6999314.572947383,15563379.44981822,957160.7794882768,1756978.143292812,2199534.513253649,14631393.51596192,2987232.461716158,7740548.758982792,12029463.43988468,11872581.19185586,30717456.82623828,6207136.729241684,5537577.168524717,9234233.73059784,11354992.93776321,7264032.578051957,29953151.82664917,5878555.931803595,9327116.423502326,6374726.081579899,4048613.776510714,4644889.87164135,3299745.689298816,4738849.226611649,4567083.498759736,3781181.844800978,3194478.549779509,3655961.338869935,5795840.224875526,2853803.657087123,4569662.262052417,2795625.235311456,2987734.270915668,2990942.380241888]
["Com_2948_neg","(S)-Leucic acid","--","C6 H12 O3",132.07816,5.563,131.07103,"--","--","HMDB0000746","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",12289807.6751374,16179274.87463038,9608808.331375891,12164993.75961332,23696707.26822063,6475358.347459766,29658770.63323938,9006625.44506194,25752317.59807741,6630042.271635729,8359336.04869463,11851711.47842823,10553418.80253004,13364449.22305736,10503902.86968102,18984319.92259761,15440251.46734763,30911785.30181424,26062690.43263683,4007008.905720294,8984491.517543802,1679830.922657856,7754941.47524218,4158970.137497524,5163716.880182421,10017596.35116956,7313251.951520773,2564735.466781561,4396610.123502617,5387475.106801213,6275311.325498636,4601278.382667484,17479083.92381243,8492315.50976591,4912189.232341987,9007525.36430586,6149975.914106498,6746617.936570857,15875365.61619221,3310100.847840498,7761735.828568989,20400128.01880189,11831581.52576645,37663787.27023937,33243604.82691255,26201539.91839186,34746755.73089505,13738554.51210126,21347932.15105787,11410783.94573414,27039906.79258083,11440690.90391341,9896798.590431595,15835245.94123148,7018957.112563108,12366445.63602607,36894751.99203072,8103568.725999479,3980605.49520003,4480342.000861074,3700499.689817288,4086969.384215464,3984737.558961995,3438318.096537672,4079490.658887437,6431064.453930464,5806969.247304909,4126493.456511875,3584197.592211761,3643269.470344909,5184036.821242741]
["Com_2957_neg","Prostaglandin D2","Prostaglandin D2; (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate; PGD2","C20 H32 O5",352.2243,5.92,351.21695,"cpd:C00696","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04080  Neuroactive ligand-receptor interaction;map04664  Fc epsilon RI signaling pathway;map04726  Serotonergic synapse;map05143  African trypanosomiasis;map05310  Asthma","HMDB0001403","LMFA03010004","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",1841516.256848476,6677640.333673125,6279026.18262078,45440351.11803342,2294984.619065913,10138826.47785149,2735142.572211154,128494.7850237504,4348282.004092043,5881884.886674176,6512958.011402473,5241900.504571974,325611.4114781122,117535.7798552383,158796.9272240664,2621945.486912004,7605602.394638112,2386195.527564466,2564207.175665882,4376963.60767185,4587928.366998391,5787984.672568496,403756.6082991462,7693330.482150004,3541072.909905852,2412769.32598671,1508645.525384985,4687926.199423247,3900706.333621193,2811155.098594591,4875257.545617251,3009198.98685803,706173.4566575198,355526.803260099,7807921.78448268,768901.1936403997,6256117.03498149,4238197.301563874,1980677.723491037,10289773.24079672,7590703.466337628,4003438.986564374,1544713.419488168,9078177.515145898,2496103.269007256,251836.91752543,3009785.007225792,328797.4718117538,274491.5577513413,1514648.037458056,840366.3404841429,258682.9851149236,1849781.806606987,140719.7263879416,302662.3019454624,338718.4249686539,1450336.395453183,457963.7367926759,2745540.98913642,2593441.07587543,2654245.450381225,2636034.973495943,2252936.096224994,2905168.347871973,2520218.897265955,2542684.504910615,2640238.388323495,3097702.208831038,1788211.66304081,2380602.226885402,2091068.526492348]
["Com_2960_neg","N-Isovalerylglycine","--","C7 H13 N O3",159.08889,5.467,158.08162,"--","--","HMDB0245644","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",1579544.151028004,2175377.500090829,1546038.381205526,1548841.57991621,2327000.538285705,2671430.553183183,1933278.635212441,2940668.642543303,2357265.388444534,2344303.928357702,4373267.784523034,5347489.489839813,1563172.698554677,1638196.220128126,1601805.597193809,1595944.07414014,3019603.604211295,4269226.215001654,6448137.352989082,4752478.144294401,5538875.979054722,4182988.64661618,2451522.921979334,6512527.393150875,1698572.121824693,21520032.80833206,1269873.647993859,5193297.44858095,4873343.969878161,4660123.970561123,9361125.67432851,3959619.894062458,2825809.942397412,2228169.96406013,7093996.963498645,3673346.718833991,11383674.52886305,4662270.443990855,3737109.00005701,10931046.45183713,7377152.439724443,2807447.3903717,2514405.63040757,2362213.879752547,2425622.137245589,1775783.673335101,1754644.654261079,1770788.751297345,2001319.73039082,3170214.038518517,1952768.917274482,2439930.360615959,2960072.306744544,2011717.225767972,2083942.86829229,3164102.865595834,3143960.880358736,2782684.940735946,5082838.80107354,5537276.193390877,4851660.973465089,6192156.433520715,4160794.036371714,5259113.438412656,5482111.566820882,4650463.029067499,5038278.411741353,5926568.962746209,5243026.335738359,5846159.977264794,5403075.815994267]
["Com_2975_neg","Methyl hexadecanoate","--","C17 H34 O2",316.26067,7.87,315.25345,"--","--","HMDB0061859","LMFA07010470","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Short fatty esters [FA0710]","No results","Invalid mass","No results",{"$nulls":4},8450761.641477352,6116043.768731747,3748667.474798201,1926719.537038355,16695191.34525856,4453033.989557265,6217620.12643526,6744524.225073632,7025632.840644633,5874367.216485492,10893331.72256117,33655697.6941276,11614570.15056813,11275655.2724649,12532617.73139413,8731646.24221256,30007654.46348195,8722442.057276925,6709384.039663637,7477672.696362233,3133841.131558722,4435685.922482402,4207896.771461451,7357132.881917528,10296838.73922781,24171939.1157348,19069611.64590759,6826952.347852242,1714626.533057137,2654254.139065297,2350409.539802348,1599987.52326186,4644722.299939824,9529156.911407145,1310036.720173025,12267926.4921171,1160513.616825642,7875974.982233495,14737242.80726162,3844594.856842575,21227451.97837785,4905174.573103586,5012034.82867251,3027397.887994692,4236133.380697728,12367045.41031242,4631724.110340119,6840958.917418527,9966473.306324575,3663065.461982035,16938064.75074926,4944610.186514574,2628099.457182763,5200392.90161623,5260700.052037654,5836320.257588524,4764235.603983948,1633929.622788666,6660559.45658381,6311324.550329959,7458175.616814487,7084853.916753354,6987602.91657378,6255530.354757543,5443249.892146306,5823626.600672436,5373386.562734926,5491390.337437817,4378245.462151035,6974440.683762276,6109730.930762789]
["Com_3084_neg","(±)5(6)-DiHET","--","C20 H34 O4",338.24509,8.127,337.23792,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},6300152.42705908,1271193.642867079,452218.0853197222,886941.4589231416,1441097.819097442,281233.1292143019,1457003.568795336,1600321.383710336,1103883.509527087,1107756.582514049,317599.0146234343,1191835.122974266,6766510.269617755,6094077.420055883,3498846.445805883,500572.6943264448,772000.192938704,1498399.986025418,846939.3811255022,1794371.235479912,2976279.620170285,710027.3582984258,13141707.37367474,789114.843750926,1648657.169163531,1254083.229386835,26122224.16889123,453212.1939970385,337844.2924700651,1491498.074585683,1027959.728431484,2920254.990454632,2642819.258753497,4047134.906231748,560849.984900462,3706812.704004021,322926.2039271143,2480797.447847658,3184107.283733398,181011.2671048316,456492.7542384199,973368.3109488528,3827675.115715198,695153.2591576435,1293305.532215225,2076998.864343616,2116979.2039829,4670602.272627106,1038592.180258746,1658364.33834708,1532695.035253369,3047547.291627334,4539471.494947998,6950938.794262278,2271302.63552587,3870466.893679131,2056504.299427769,997481.5783831648,1315791.96442147,1701591.046566466,1605145.096050001,2170671.268477276,2832453.448178365,1542451.161386997,1380183.240579778,1631066.155274536,1573824.085302159,1495928.565548426,1721252.24590494,2220271.29572236,1531223.198140631]
["Com_3240_neg","12-epi Leukotriene B4","--","C20 H32 O4",318.21882,8.688,317.21164,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},6010324.176580175,2264331.046138871,752714.1222591059,2577788.63131806,2399508.131762002,471546.355208817,4612795.758861606,4583983.426305477,1740018.312072158,5402331.482118777,776681.051143971,2827344.692215906,25032595.70165004,7495423.820525177,5556899.734175323,1211189.117606019,1099736.288024828,1963622.136989063,1273440.473706592,2277912.888681931,3178456.151420692,1648862.564816366,10793294.0266993,1794975.764596143,2649205.409404797,3033074.389830086,11304181.80907273,932123.0184925154,2165686.685179608,4564191.984991487,1766307.183871215,2820825.337390455,4894443.12627284,6421536.320993952,1211432.774954763,6273305.325353752,660990.633538204,1168023.882069676,2176488.198962586,999111.6499452352,616635.6337162969,1244574.091509798,6627405.349290685,1403004.334783429,1329858.341020294,2134353.68094865,8481802.852772083,4678622.51109614,1459141.387001448,3190400.982173192,1721248.300455798,4417755.481841255,12737261.11386948,8633956.066918517,1737519.108431025,4436805.251373513,4474841.114603039,818338.9624703716,1338588.34136453,1237502.530976738,1420910.374692968,1358696.82084591,1343079.95224991,1685310.495365647,1385318.025688109,1262501.731571549,1287829.12399189,1226091.438993753,1046050.233227263,1491216.699153888,1222985.191348334]
["Com_3291_neg","2-hydroxyiminoindane-1,3-dione","--","C9 H5 N O3",175.02975,5.378,174.02248,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},546085.0252957644,621473.9578627151,13904634.32058001,2834141.845247354,823782.0020027308,10682826.242509,4425980.491673946,405225.4611531299,4500963.47311825,6374397.164043115,24256216.10601145,26605774.57030458,1008647.377997493,553177.0146696795,625412.9280214052,671545.7159772221,15647261.84602982,1868659.851244646,3577483.869464518,6466224.617403623,6921137.261138394,4332758.689292086,1729459.367103936,12229087.5635145,5162865.728847935,17654035.72922418,2042571.528929385,10434357.12061356,19808719.76073343,17213132.98321457,5721256.848180477,1788426.213802235,800476.9309769153,2367900.380905156,2610965.368201028,898182.8950740814,5060845.254318072,2714081.61320019,1128125.094730287,30092133.61647405,5064539.863861235,3833057.343552128,1141914.973710297,6414027.196998833,555346.1483780202,287265.4296978443,1752416.3918287,357475.7364538796,377991.5507717268,1387727.351841457,950490.7123879351,443370.9744271731,2729230.299396069,632415.6570761,370459.4908240829,905462.75505233,2819036.286577235,180057.3523500528,1249180.97380454,1537522.691701162,1522182.657563627,1858665.904150733,1598363.820719521,1022890.608177024,919618.017827053,1220398.930139024,1320109.756415105,1744528.190756832,1907318.201952363,1789832.426277653,1765758.458249249]
["Com_3347_neg","4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid","--","C16 H18 O3",258.1212,2.428,257.11392,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},527019.567225191,455795.9161106309,1841438.056355922,1294281.553690818,445185.5233967396,1915022.296582136,580910.7323168026,420103.7375094854,919192.9186956548,877397.6381627938,2196630.15230856,3317277.926823782,533467.8654187071,474705.6110273311,523786.824559124,456279.2030387023,2502341.15558715,503485.5332169163,666448.4431468006,9470618.66531581,10968695.87800628,23991584.94984797,866770.9031424924,12373302.0009731,8554045.62310502,2183074.676141089,3353449.039423747,2815778.231740981,2128025.255654186,1618965.708344955,12436539.52218361,5524812.155212848,1512984.886155815,348078.5618779562,1873655.504702108,657354.4251683662,8692128.152169168,1959654.437851521,740165.1330783587,16717306.95806773,2504802.673776107,914629.9635406032,620436.8188222479,1935067.142566477,490395.9625292189,468973.0675258978,569963.9366323791,628711.2883078514,462325.2099469529,539008.970026227,482229.6385901854,552048.1314308095,562860.4654472021,557847.7432863546,441059.6677830307,567480.9327579947,514918.5267580006,271651.528735644,1712774.11944968,1178018.59726077,1061485.56152,1433328.069746302,1377017.161560606,1258426.447023064,1286622.086765567,1502816.137621405,1102539.683282843,1315065.919688651,986305.1106366488,1241594.790189704,1155197.253277847]
["Com_3355_neg","Gentisic acid","2,5-Dihydroxybenzoate; 2,5-Dihydroxybenzoic acid; Gentisic acid; Hydroquinonecarboxylic acid; Gentisate","C7 H6 O4",154.02619,5.056,153.01894,"cpd:C00628","map00350  Tyrosine metabolism;map01100  Metabolic pathways","HMDB0000152","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",328423.3127662962,1780083.701080495,2017307.006875216,1958512.839319197,619610.8320327,1664379.397594377,587422.6351063942,174787.5957573248,1087316.710033871,4834450.492693244,1469066.140091689,1044307.428916896,231732.1466609762,258400.4423461407,297318.3081146356,996901.494856428,1518767.28562187,480500.275450316,863713.3588796494,2788262.663095947,3239055.419557554,2849007.539983398,675109.0049137739,3516364.713505114,1917614.215009637,873000.5251301477,636193.9305852645,5319002.50011348,4182690.822044574,4254929.355219937,1792642.281937646,1451219.844615049,323092.8038890637,307794.646281253,13067864.78203392,547410.6624101779,7058464.281614743,1174654.670249763,783870.1543870656,29148694.67500213,1721973.797270289,1328200.657966333,208808.1412298952,1429056.133207648,683212.8222567809,248083.092333736,264891.990788705,205234.0922563105,275595.3633647222,727613.5833555522,886706.3581753781,231646.8132662733,208904.1660924911,233308.7280441844,340432.4271150824,319001.9895024868,447272.6055838453,409994.4628319664,1346325.27690883,1316000.948912025,1405751.038980871,1096649.403558865,1032494.994929159,922514.3786523507,825426.4503625449,895358.9395346815,797140.7751834397,977454.0071730036,923379.4876809932,856582.7237654985,1038033.198577945]
["Com_3366_neg","(±)8(9)-DiHET","--","C20 H34 O4",338.24502,7.819,337.23782,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},6210491.77875071,1244005.746406302,1911667.965295716,1016345.517518707,2026972.958559856,1823751.864213272,2959986.180463356,2985748.701333513,1518958.728334368,1298127.28175455,806994.1764194049,3453512.3614559,16499988.66764969,5265744.844088064,4002095.838159608,1105730.207157032,1799833.165884746,2065376.659386597,681196.9387183021,1829755.3488561,2504623.42130993,1144971.727545901,9131101.45540138,1464125.548636808,2489443.656355589,1946278.09654394,13430059.8511537,844534.6492932986,1323302.647693791,1681783.874633707,783840.2144722389,3236481.926769967,3326699.805965626,4489027.920315379,659171.037973594,5932901.822751872,368072.1958856872,2971107.551554432,4273230.81812882,811998.5000441638,518258.9314320063,1666475.945074935,4944104.575639921,1066089.590946357,1403879.497844398,3147786.937958426,3767743.299887179,5524074.675603379,2162651.749143586,2925891.653416395,2006776.098390874,4506364.638127459,10903439.88693111,6494135.630074404,2538891.228470552,3942597.320131369,3345166.573460465,1481188.093987661,3127199.92619575,4826889.92520627,4125336.390936055,3386844.395421801,4644613.106972336,4022775.932979396,2675062.835864006,2909062.096367201,3454543.508107872,2781265.969441298,1905760.913092178,5198268.322955753,4345755.629694239]
["Com_3368_neg","Nicotinate ribonucleoside","--","C11 H13 N O6",255.07401,5.173,254.06657,"--","--","HMDB0006809","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Glycosylamines",398975.1194080869,1444502.197989463,15687810.03018073,8136179.11526527,1654577.698643554,15025969.25087103,3710452.723895014,365203.9180000526,5761957.566425621,5696407.560949492,15015621.58742634,25231621.03116212,231832.6204834181,204874.924919263,221724.4420813476,2832214.43303171,13873327.64990021,2784743.688202604,8454920.767528893,6246969.275941374,7817921.003828934,14338281.1503907,1537768.175403259,7836530.840768161,5408616.149498187,16975736.29832292,2229522.827039586,14545502.69530391,9980803.233516734,7785144.502311125,7454122.005207493,4459809.354332129,2084005.211980358,674879.7302292958,7707475.542229356,510356.1262977389,6235825.562727935,1674154.979287839,1250489.978021725,11125457.60251492,26017130.81904791,8529814.742414024,548009.7762820679,10556372.08762431,2013362.689321959,302704.9534071545,1898611.952843574,278324.4192395898,1369251.065127621,3910981.311906748,2618854.236456264,296843.8775097252,3481746.858811661,148542.6625031134,1171205.429415798,927834.9570449302,4030885.012399215,157192.6710060426,2750503.3955741,4004812.462250052,3536111.16620316,3080398.316786946,3472451.86682722,3424429.005246062,3631700.928943461,3174559.041652603,3107674.645388908,3235217.644099466,2751630.883992254,3017590.018149989,2850861.205585294]
["Com_3381_neg","Aldosterone","Aldosterone; 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al","C21 H28 O5",406.19545,6.206,405.18814,"cpd:C01780","map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04925  Aldosterone synthesis and secretion;map04960  Aldosterone-regulated sodium reabsorption","HMDB0000037","LMST02030026","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Invalid mass","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","21-hydroxysteroids",324658.9219329409,112099.7685688416,110808.6915419267,126766.2668034987,42170.48084165705,122714.5505755025,266338.1566923993,137064.7867577652,70249.72805758036,867627.3374268623,108565.3045574881,125326.2544463021,100126.9719118145,77902.84201258376,63576.08905338039,607063.5928958833,96886.22244404888,110834.0829322443,114319.7594084929,6437059.784696474,16055002.54078405,5856903.729644993,3175526.28924995,7282537.278074802,5802654.242539721,198084.3682662023,2804569.75437858,8182671.28465723,7837701.587632113,6461204.395939579,15160682.90041901,5960400.673422842,764169.8429577432,1150082.080712305,9222051.76803568,579650.7062253463,25403854.85479621,2008816.725965251,930726.3517009796,5707073.817109523,1152335.242068383,124224.849286041,186736.8067845318,114787.826076556,517929.6325984875,124165.9092205928,495223.0913099948,260270.8222569606,66500.99501511846,220386.098272643,338300.2170906126,155670.4890701424,131612.8119948598,200335.5833018214,57877.21225617384,116580.6545969497,66251.69488968104,184389.946657377,1600434.35561717,1420860.733839911,2392473.334249432,1219606.411466273,1917671.797831514,1305563.453878159,1400690.213663616,1490156.859251418,1043460.251778471,1892538.770902163,1111697.068824274,1468832.865033124,1859273.704752472]
["Com_3466_neg","LPE 20:5","--","C25 H42 N O7 P",499.26958,8.644,498.26199,"--","--","--","LMGP02050053","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",1421317.536337558,110692.9132539837,441802.165974342,660011.8483931705,1134998.808272834,563261.9175374184,1150612.32219708,3496477.881175128,70161.4116881024,7212723.821456718,951720.3569459898,465208.6312173199,1368308.617455558,123517.9718637804,946480.3187691072,523345.405606464,48943.09254997737,27221.15822789416,201280.3714448768,730354.9018596074,443700.5555119157,231171.0024903736,32100.07475776755,715442.1285470052,84604.97254853178,85229.39889750221,24077.32805309372,30439.18941371821,360772.3296572643,543151.943797332,1153037.498912197,1056182.688353828,940464.8300556624,3781403.171241688,445394.7033146874,48035.03663932113,84087.73387681469,565609.9428497576,3511412.376504587,186385.6327610248,41651.02338058349,68656.98761770439,2873193.076584897,106767.4838005942,759814.4572182227,470429.6961723176,2071085.75687078,3410767.592129641,900259.6401424228,2584092.321540758,1242708.404423026,805688.1517982455,313040.1353597721,579599.5602999547,644272.5182790805,1671088.691714637,536835.4226297126,5280891.600419479,2532544.54920689,1410929.954414585,2792639.785031612,2171489.300942005,2010956.359125728,2331317.598412977,1945905.672497056,2068539.449188172,1659869.65053298,1986113.91466765,1287621.976868771,1673307.161775972,2343378.616424338]
["Com_3470_neg","Paracetamol","Acetaminophen; Paracetamol","C8 H9 N O2",151.06286,4.754,150.0556,"cpd:C06804","map04976  Bile secretion","HMDB0001859","--","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","--","--","--","No results","Full match","Full match","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-2-unsubstituted benzenoids",495715.2783070169,606862.2861473868,2668998.07141012,1783437.197602276,293891.8272490195,1960006.299338523,555073.8221213134,349568.197120586,1250417.693677556,1243079.144221327,2365601.469113037,2228261.287972494,260149.6071657541,338798.0347187192,332441.9942314184,827802.7699209828,1535175.061751648,491489.9802215448,685988.6708238652,16243418.01796854,12128003.25965277,22595016.83874026,2556357.850545971,9920758.718623862,11804582.794556,1332876.235403158,4099686.629294799,23630100.54411304,18429176.13921063,11252101.52013265,7756748.86856978,3589526.90564949,802188.437000114,543209.6198510575,11020749.61850646,857012.8113265198,6783276.81701666,1668484.205225177,982451.6723150576,10237973.53169373,1535725.536606609,740054.9517778094,359828.7474553653,1166806.965986779,428072.7972939428,319515.3776423667,427697.8576975947,370100.4071895559,416324.2253999593,411007.0297190648,406872.0197728223,235934.9721285461,357091.6541119747,268091.8759658631,424195.1105609565,305992.7476718473,400346.5104633299,478551.2655063649,1652571.6676895,1939958.506376401,1826504.69218747,1831364.305941903,1701685.251868631,2148116.348654995,2194947.117571829,2061421.312757124,2029575.43311735,1930555.165458444,1896338.913428132,1733282.2225404,1762747.582633742]
["Com_3514_neg","(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid","--","C10 H9 N O3",191.0578,4.78,190.05074,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",252888.2384220502,464325.1991827617,1054591.344247672,486016.3081445486,690049.9318503932,498060.4517982468,1205927.356274075,1174814.45623824,1034543.466880265,582919.1014633724,565949.8820812381,499586.5088615186,415061.4639372412,1538838.142942578,995596.4545747164,620606.1500601837,849923.3180526306,655321.3012719731,673782.4024082479,648516.7950397271,1889180.00356034,454779.7562194712,2829435.717664874,595998.146234331,750378.6869777938,405035.737436802,475357.796248299,431852.5777404463,756611.9346152883,1358510.398608366,1173072.724382372,971485.101981192,4629658.745230148,6010781.393575161,1492720.582913004,4536363.519860807,1563853.837961031,28125023.11007128,1070965.674003377,662215.6264673657,498170.5707683847,1229228.445995639,1078551.936947688,3671444.081104661,1071812.152525112,5549520.403249145,343076.4854761758,2630000.070695742,1761946.491939442,585297.8588459197,638007.8435803507,1276952.385116007,631867.3108600434,1608665.607407347,427150.6641925002,925503.6992614171,6723900.920278766,642303.151573222,1776696.46040065,1666735.25105258,1607496.61356908,1552875.828060792,1773856.844114664,1436165.006752164,1365905.634683386,1497505.790730524,1750397.442971085,1365759.390870011,1759140.923448024,1384340.745259776,1639626.806735899]
["Com_3670_neg","10-Hydroxydecanoic acid","10-Hydroxydecanoic acid; 10-Hydroxydecanoate","C10 H20 O3",188.1406,6.098,187.13335,"cpd:C02774","--","HMDB0244272","--","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives",2182388.578072466,11218809.35615009,1799019.969190748,6139017.772629207,3454362.29621496,8394505.777395006,3972208.266419986,2230077.424782985,3429711.319912383,1337814.273387176,2120802.461570863,1119278.186401394,1344927.406160085,3734603.352071828,2053521.837002482,1703161.008902903,669109.1471629184,4839970.247387697,9440738.23998543,1936325.769219053,739457.3202151678,503664.4061306614,960440.0091646622,1086593.218590577,1194736.985954876,5305590.25842648,991826.390216862,775034.2715627148,2327273.64611819,1933037.732314198,1176867.507015667,1594280.810144643,2112631.131108224,2896425.675125828,1432576.660357274,1263677.909980514,992623.6443730446,1297660.014441556,2087909.900293055,562773.3372416307,1348687.880846686,711135.0599029923,2540916.928221646,801438.8056134365,2142087.593785408,1264086.81613668,2391702.308582866,848114.8660567711,2320856.646107174,1821740.433309441,1972672.04093097,1128972.40748619,772686.4197983558,1341736.626141268,773898.3591102449,2798675.738457912,3235988.972267882,1220455.374975098,2680945.98139885,2653325.990825823,1946359.781352203,3357528.190598542,2779858.117224329,2344772.493264406,2688199.87505177,3285735.334821267,1763087.169457667,2593631.064096192,2291834.973563923,2538715.786887337,2559311.291821995]
["Com_3800_neg","1-(4-chlorophenyl)-4-hydroxy-6-isopropyl-3-phenylpyridin-2(1H)-one","--","C20 H18 Cl N O2",339.09819,4.933,338.09082,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},182820.1020163712,424359.5464692495,3394903.789463601,2581000.56336111,456254.1790329161,2048558.857293116,760338.6226986941,291709.6679175709,2390007.406151204,6010952.533722,3687741.541304717,5783210.749631688,284746.552879069,246555.2960009136,199669.2289805157,870011.4723159826,6601959.102038581,722206.2074731834,1068488.336121057,2719637.18342231,3401891.812431515,6933384.792999175,7460256.416398961,3985084.458068928,3474979.657327253,3426084.502552575,1920723.493853038,6699051.702839344,4422666.068716859,3652420.454544513,12454096.78558385,10375004.50928343,1131333.00859293,1538396.034438746,4045315.175579533,1528076.024917592,3906619.509749536,5454516.534297528,711790.0101691326,23319781.30679948,6779551.998806289,2576103.902419963,341957.5457237288,3959718.57271537,1713999.346865636,211213.4617872953,510886.909348974,168068.3689055659,599846.8245154526,1011605.575113999,583511.4882306631,526786.4826165483,782389.8903028249,176601.8981156248,278631.4549842561,245004.8813943623,518164.7460174054,122472.2187963724,2590087.42172688,3254197.617465564,2423863.290763652,2797615.126848964,2626803.672299858,3100361.422656941,2758478.166752549,2551490.067440346,2219061.863263976,3063768.541433304,2907919.776834752,2482279.761736295,2752651.266878979]
["Com_3822_neg","N-[3-(cyclopentyloxy)-4-methoxyphenyl]-4-fluorobenzenesulfonamide","--","C18 H20 F N O4 S",365.114,5.263,364.10672,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},254758.6942507768,739605.7289691879,6011911.071682448,3035799.423017694,621316.4969495696,9995949.243467744,3102468.170256534,228544.7751556016,3606068.647047132,8307894.526545218,9654894.413886571,7353921.209032497,332874.0703719694,338159.6955336246,284716.5127749571,1908652.21340633,10832249.71043368,1446436.63404087,3696537.120582585,3178778.865401766,5115478.006788886,7652329.445792504,7791200.385805799,3471004.071432532,4764046.224695913,15532350.53288778,2833456.302265514,9383606.633372882,5314979.891263681,4282707.755694265,5558277.115916556,2783949.556558297,1620734.035866824,891963.360802691,8880078.867000515,505539.6278583395,6453497.590373853,1422711.115420148,713601.6989941926,6628644.75715864,10655161.19278814,4816141.558252323,746468.3576450347,7589275.469962243,2061430.905145609,267291.0760941824,1088042.675123156,225563.745261698,466596.7866070766,983431.9107361129,776017.1821442632,329142.6589466429,2421469.20038671,248695.1166953385,475484.9636082309,356836.1962900194,1379708.87226136,468162.3623827461,3984607.80095974,3865667.027185013,3888194.962557363,3960813.21998272,3155296.43404841,3049495.386431667,2596201.313032953,2674513.946660577,3465725.761398902,3117426.468520378,3534963.871050113,3267961.096964913,3538801.262094049]
["Com_3977_neg","Kynurenic acid O-hexside","--","C16 H17 N O8",351.09515,4.915,350.08774,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",229724.7494896816,206294.9553952725,1165202.755093623,478697.6327752468,197356.3500418549,253433.5139297196,349855.5368396022,174134.2136794965,416954.9829370163,1091257.735647898,1808706.935691127,2178717.65614596,357801.6301639347,309811.9571341901,250896.7181532344,246724.2288947244,1565854.377832829,236726.5611351209,245585.9060345337,4621657.163213197,8024384.912957916,17331570.83656324,1504956.03805185,8315474.309584544,3659739.954730372,2556136.443393283,1654713.592962662,15991165.80646652,9862870.466801789,8608310.032937549,5968850.45586958,3955584.083023819,1064918.199066823,502747.2996485317,6803619.199469,662593.314712908,7224560.763071573,1265487.720977364,476787.1943195829,13730766.54194517,1996227.804913529,581902.4282538432,256934.2412227048,1067050.316699925,216906.6607396592,176691.9572367098,194805.8531151102,211188.2857417574,243398.9354146245,206028.8306559935,242132.8082220127,186369.291075328,505087.0175846096,221911.1922406727,165046.9769689066,245710.0092773593,274462.602120559,153893.9070273723,1104482.76414634,1577063.381164457,1424504.094646872,1979605.455894326,1479025.720969711,1469760.496113236,1523816.98023995,1595565.946667848,1671698.256310943,1465496.866442545,1382836.036027019,1258542.278062809,1275670.52015523]
["Com_4129_neg","2-(4-chlorophenoxy)-N-(2-oxo-3-azepanyl)nicotinamide","--","C18 H18 Cl N3 O3",359.10323,5.586,358.09604,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},142105.1466552813,738922.0840956961,5575821.267115434,3823420.731291961,670332.4385511512,12657549.13926124,3761141.778115789,286475.3312434537,3010716.061656035,3322552.238095538,18410594.02692415,13504884.5686419,113376.0980620917,179155.3249257411,192562.7533751976,1518754.535934833,12975516.90280846,120599.3010183925,274306.3835167724,3508561.991387449,4218197.657738867,6470285.273011502,2009351.948598612,5869217.541307604,4028260.389476051,13260289.71091261,1433133.345764961,10537310.66210102,6729353.70101733,5560978.574673382,7385407.946977548,2596833.383778692,680541.492094559,847054.8305741176,15838370.10781734,434909.668792104,14457667.905969,1002564.67926021,708975.806298031,7230933.181890711,17722335.96239161,2518120.781164036,311390.4137718794,9014896.624825286,1939784.103120379,480262.4487514146,2604233.645544202,605991.4966068394,525844.4565989552,2272397.492322106,526978.0891350674,457381.0545064248,3323707.663874411,132256.8948016953,450883.9637863751,462541.2416558368,124197.73226005,476489.3618526774,1713695.10746177,1992400.973716366,1921867.68036274,2056350.415390929,2377859.239110989,2014617.692225086,1202698.307715342,2521249.856793023,1485523.511068742,2593536.655789362,1980808.241040069,1475569.409612108,2314022.941343649]
["Com_4264_neg","2-Hydroxymyristic acid","--","C14 H28 O3",244.20317,8.873,243.19594,"--","--","HMDB0002261","LMFA01050484","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",696007.9386950855,649745.0057911774,1509706.413558245,4163219.675470716,1029617.786047069,2304643.845602013,3002836.051712857,163663.6016002631,2560426.098602728,1576654.819042478,939847.354106897,1071300.178128423,246278.8200797285,191054.1378473481,301349.2292617879,511718.4137108695,3095260.563319552,1086549.024495667,3171639.298294229,1164702.052591919,1300703.709909173,461618.4937254901,237593.5223796842,1363719.958823819,1521102.502281035,993284.5266965145,312017.8908755502,392958.167022733,904327.6776640932,1232587.69822452,1687820.408632406,1979877.400502388,370549.7811984952,623701.4210994277,9649293.950301446,359934.65847967,16266131.83650282,378577.7887554077,294259.9487905592,995237.5725807748,2039799.534131309,3743820.185783908,265167.4278234949,10052569.36856798,3322023.890318294,274451.8459384362,1652575.923317015,192205.6892028859,185873.5799262068,940853.1019841988,238992.0516099848,185583.8354722245,4848590.478102613,213039.6657053872,269995.6982695798,498999.0029648749,602686.0864162971,187382.7015320428,773761.888168332,918776.297229038,1192037.33401165,1184732.684734876,921600.4366619738,706603.9965151041,565255.7698614692,950253.3326118634,699111.1146854598,868274.9152964826,706132.330015874,764269.5568341902,841550.6700930146]
["Com_4276_neg","Resolvin E1","Resolvin E1; 5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid","C20 H30 O5",350.20873,7.215,349.20145,"cpd:C18171","--","HMDB0010410","LMFA03140003","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Resolvin Es [FA0314]","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Hydroxyeicosapentaenoic acids",1913025.397496578,204859.5826274632,346385.8827926703,846007.9663471365,168717.3217233403,417350.0282276896,782955.7624986351,547965.3415674254,255607.7903068005,1178322.388116329,554623.0168827982,720546.818045088,14843581.67778579,636145.8228707863,935007.9096952408,142506.3478857591,352130.285265334,309384.4334431192,382062.7554735947,311147.4861619271,728668.6243741034,371951.4590679256,417745.7492615141,308555.655619571,231695.0801934694,464896.9061829357,2388053.144967956,289420.9079588636,285206.8437798287,365217.8764000793,489845.4875480972,408253.5018816587,997372.1475233882,1820074.486592895,385608.0295206519,691090.1694235211,439634.600027159,237473.3234213134,239031.5699220732,9635102.93873056,480412.6376320755,407235.9369394149,3453996.349135179,309486.4591264096,333731.6765324082,52124.00694208457,3699727.090061633,54894.89552994796,515983.8515679946,570186.7997464709,221895.9967235273,318414.0453987951,6082965.782332448,1156157.643614177,535564.3641553661,2006132.810557687,59200.75754861757,239625.5745291898,289080.771841828,334373.0500462237,290528.5368583992,441735.4006654717,477064.9723704702,403185.9990563797,229294.1033109642,430332.8316697803,361639.1928019583,267352.5143723507,232534.5181493357,414508.4065195783,348620.3313210772]
["Com_4423_neg","4-Hydroxybenzoic acid","4-Hydroxybenzoate; Hydroxybenzoic acid; 4-Hydroxybenzoic acid; Hydroxybenzenecarboxylic acid","C7 H6 O3",138.03114,6.082,137.02393,"cpd:C00156","map00130  Ubiquinone and other terpenoid-quinone biosynthesis;map00360  Phenylalanine metabolism;map00790  Folate biosynthesis;map01100  Metabolic pathways","HMDB0000500","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",1605434.32459499,1751188.176417665,1585682.652820889,1563208.547759332,2673179.851659567,1883294.315503992,1458607.261526265,3204983.752287038,2003181.731878023,1885293.246632409,2915722.741590086,2178133.482248507,1471288.780858697,2397572.642780743,3179499.309286057,1523962.152624896,1640873.535661809,2800548.624754909,1654692.127907558,1970203.325735746,2880541.046471287,1026032.241805045,1684320.373866703,1933797.037000496,1793771.630273484,2515713.745477154,3425227.092348016,2395136.487412332,2445618.720663656,3666499.07021697,3398139.450119154,2455852.111200978,3060501.701713017,3928529.296769487,2072051.582696061,3382699.062920504,2706502.438259688,7380934.892737822,6720506.283927096,17074431.55061027,2580883.114868898,1629205.940550148,2251640.706265978,1370533.7643599,2276957.471668572,1897970.848204732,3258253.604168186,2420721.901910129,2775136.746620894,2369125.776153762,3592477.665642502,4348204.538090433,2389129.217228643,2507955.129983993,1433272.629902547,2106833.906057849,3168910.01410163,1407110.975452974,2279622.74610897,2180443.182009763,2457703.141237334,2307467.121167812,1715187.727441449,2223472.717060218,1916635.530550433,2023091.878140714,1743586.863955492,1899479.314681938,1840105.813195326,2964538.151684973,2782781.822611815]
["Com_4550_neg","Carnosol","Carnosol","C20 H26 O4",330.18287,7.146,329.1756,"cpd:C09069","--","HMDB0002121","--","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","Diterpene lactones",78986.56738207114,1677036.901989297,277980.4059923871,6731885.048655692,119646.2347174644,339947.3711464978,337630.1933460598,61833.24271988277,194450.2048583049,213753.5734256726,599663.4935500767,628414.1781793499,115233.4240695583,33122.26546259243,47838.78728828851,172665.5920184914,336522.6776012829,100740.3040012143,254457.3828843188,79044.56472309922,49293.9411561107,80006.36881452193,37850.80736379455,107992.2740671036,58217.0063013212,333791.8265593634,68381.24657190318,145291.9121704599,207094.0822337308,77480.58735670899,345023.2711359787,71850.34454726434,62753.9673222437,75584.57250365324,840243.6128881967,54606.37876859016,678918.6359300613,651316.123279827,216469.9413401357,16185031.12495575,1695077.46363402,322230.7014290785,95394.28970310636,265072.9652628892,168223.7026115342,39835.8977859996,175864.9390338193,89298.17613952587,61751.84813780057,61530.02168117072,49613.89837844809,74400.72624831152,70783.81269916985,49608.35286258913,53778.58013124884,55038.81284671637,295011.6215334511,110136.7981058848,505192.426107248,538488.1851897185,609930.3435219198,559291.4654073407,519201.3172552442,364366.9603977036,580065.7210120991,368075.8193767725,452828.3234156425,512273.4999153943,443292.6571338893,363727.4841883747,488760.6456254703]
["Com_4632_neg","Docosatrienoic Acid","--","C22 H38 O2",334.2868,11.309,333.27939,"--","--","HMDB0002823","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",4334627.638121447,1897957.409261102,4324013.589359571,1662560.210583558,3219954.356037088,2542402.567403921,2761853.048854337,1452178.782316326,2613155.078929232,1201923.219470636,2164591.861335787,2937822.617630733,897430.2600425059,2805110.703477333,2538211.923939833,1057414.077662769,3297608.442491545,3804165.363163089,2774600.874229542,2651044.77618724,6035126.951981866,3130074.625348672,11673432.18412732,1629410.86561895,5748279.078967992,1313378.206373503,11378885.61027954,842917.8933272188,3779248.435323839,6015514.97569388,5031340.877757444,2096186.171209353,3248112.299645738,1719638.670750864,3190699.111664509,2348549.084284985,3375060.173326655,2867517.697927525,2320362.140133591,385943.3623484934,5166617.871443968,1966146.375716828,1549731.302298293,1964839.770580229,2533806.494176048,3721772.095128061,2049220.739540005,3442086.387993336,3697186.880439579,5686887.583093331,4468985.98497431,5496599.946776672,2597525.509051078,8015385.77461894,5050654.292166186,7397677.78586839,7139307.68686671,2476866.436108717,2083428.46980487,2135345.380470493,2241683.806659735,1888824.654489629,1680010.093622439,1786827.597882348,1728996.946390874,1676370.995127496,1614679.052644571,1705681.873044905,1490244.300385037,1694403.616622473,1936578.169460172]
["Com_4707_neg","Syringic acid","Syringic acid; Syringate; 4-Hydroxy-3,5-dimethoxybenzoate; Gallic acid 3,5-dimethyl ether","C9 H10 O5",198.05223,5.483,197.04495,"cpd:C10833","--","HMDB0002085","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Gallic acid and derivatives",168465.0828526244,462753.8434304866,4982963.575407194,2257454.089868935,527988.7197081283,9233756.590904623,2003055.424556569,146615.2032767382,2381598.579028003,6079968.99731819,11858549.8696318,9062145.02648129,144109.6188099853,96327.36511991828,82003.8643867556,387927.5744507929,5922475.836762038,2018104.049504306,5220467.844773929,4428900.124774661,5529222.839461302,3083358.392135976,466486.8346246724,5645889.480834205,755472.6995944672,8999511.562594555,469592.0198416465,4953738.551621394,6349693.263128337,4718195.795352363,7367170.865983783,1509482.58087983,345946.4158527421,314091.2759767826,3560674.027582535,575457.367014011,2965536.701114451,930013.501242782,637192.3297214226,9342324.729572184,13584532.72281712,3120151.195603637,1162571.515403345,3766313.514553131,701301.5425130411,73668.08328630168,392430.220286317,116868.7164965258,235120.6422020926,1043210.704391439,932260.3261881812,149344.0302714468,729356.2994726875,121135.9599229976,193339.1263063623,143554.6158923244,3823471.1513829,166512.8020769167,1451213.0389716,1501165.332820834,1498306.604494177,1481932.973393463,1547749.409207705,1641471.038708461,1409918.43958008,1338789.546756628,1278316.426572873,1478515.947841907,1450325.991004769,1567098.098576134,1740641.246566241]
["Com_5164_neg","2-(Formylamino)Benzoic Acid","--","C8 H7 N O3",165.04196,5.76,164.03462,"--","--","HMDB0004089","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},284072.2855316896,433165.7386409862,1322608.227256285,905002.1243317372,273688.9208523501,3813421.108792052,580120.2880411061,170837.1411914605,259464.9265968929,9292341.034698524,1097491.661258329,4734198.383084551,446631.9901284623,140083.4414027811,169082.0496811057,267903.8760271071,7062228.464636683,610981.7631236808,737203.3883441865,1369836.818916392,2040735.303432339,2982059.578519158,331650.3881192228,1418756.946009628,1277803.545077349,6276286.568848964,206285.1470273804,2123309.802646638,1739788.382927797,1018364.078085134,3597991.656111977,802242.9043271567,579221.250313552,1714905.440113509,1380666.444591878,479663.2977383007,6510124.689389803,463536.3851670453,559278.7645676719,1695320.810176904,3507449.385747555,891385.1635907879,968115.7210014244,2419787.815729694,985614.6803107156,135828.4385396977,993346.325662082,253084.8022706014,779633.6626690748,285029.8801196697,228987.9499986456,353627.4175459988,779068.0473267618,223850.2399996504,141745.8505392628,442963.7854314194,695036.8411267204,144047.6264927401,85267.2730679913,97866.67667815066,114643.6563188511,87379.10401002338,84542.02603261001,88282.3168738728,82208.97632315096,117329.7100254413,93194.62330344024,158741.4680280056,161735.8734492653,123095.1843445893,143418.4185023063]
["Com_5418_neg","2-Phenylpropionic acid","--","C9 H10 O2",150.06747,6.106,149.06021,"--","--","HMDB0011743","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",164461.2475611492,180934.4664009633,3366532.409275223,1324506.285618649,555316.3713860302,3095958.170175057,122728.3333119765,57388.68417746343,451661.3612669086,3913639.835898064,4413226.93354632,9814850.74894985,132101.5028771958,47117.88196513194,55306.92658026736,257131.2974862359,1044320.939438665,285551.4585087824,376646.1059828017,139931.1685205879,253068.1696596518,975146.1205278732,146401.2539440299,472002.4252603176,89820.46123615094,6067738.620714825,88414.67773616311,1404242.85363293,388779.2149573174,456745.4705549052,163584.8902600202,183628.3331551132,92042.36642558251,65758.68622736391,157192.4670734001,55972.59246982275,318280.647768525,195418.7938282276,87743.90966349776,826087.388017598,9061093.99899519,562123.1524145856,512360.6739703176,321152.3001196151,179075.5738921405,39014.10661264053,177992.5859464788,36802.67051848829,391776.0977145089,220829.8332391289,1429970.554716351,103889.858612019,212233.1026542052,75580.7846058338,85060.03933655872,145362.8924190688,2242817.960817349,148144.6438812421,387961.496563225,495402.3088113197,253252.4489628508,458424.12516994,405290.2684005824,310624.380877457,391523.9531211457,544129.1473974284,258358.1429963014,391560.2595236544,530118.4921290284,307479.3766000294,443358.5455046144]
["Com_5523_neg","4-Aminohippuric acid","--","C9 H10 N2 O3",194.06839,5.049,193.06111,"--","--","HMDB0001867","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","No results","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",175889.8036690967,174485.9213927019,389623.5326412537,214222.2213996077,264308.503126548,523346.7502346016,204811.4313832622,162229.4568608567,181267.5736496848,241495.8175434137,497492.7742192192,580095.4947934235,153408.1346132247,126565.3459572263,129260.2630096866,150257.1677334672,313086.3676579859,150452.6693005197,184420.5257415045,1676418.373640763,3110847.020347761,847947.5459539546,547473.3186055368,1193030.477879366,848458.6096425623,483851.253836342,528185.9917046824,818180.7122392319,917315.0320831724,985278.3926097716,1795940.624613437,1021972.397040828,642128.5095307293,688731.6918335852,5976209.564750447,1188662.054936228,5770996.551054813,1659295.946505565,1542031.638797092,9748922.301155817,631592.527953984,242774.267759808,133204.2513572423,401785.8986179883,366540.659448024,164232.5632087536,175360.159418581,135866.2563901458,209030.851035987,150042.6863791964,162881.9704109872,140320.0105795565,134774.8192639782,154451.8413779059,105534.3642727647,158058.596574564,196567.4254298797,123046.9499278904,782635.664648276,1013695.991185614,763838.4754400658,821302.4535050829,724308.2122505496,917800.3514333268,767942.215133323,915556.3087869652,700720.6489246287,896729.4343176088,868315.7060360264,1055518.97141254,856120.0525574231]
["Com_5665_neg","17α-Hydroxypregnenolone","17alpha-Hydroxypregnenolone","C21 H32 O3",332.2346,9.661,331.22733,"cpd:C05138","map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04913  Ovarian steroidogenesis;map04927  Cortisol synthesis and secretion;map04934  Cushing's syndrome","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Gluco/mineralocorticoids, progestogins and derivatives",27579.15983862757,56874.35403038633,2712756.429900964,368559.517285964,34409.99297918316,665226.166878325,164115.1476531861,37400.38497890931,97565.82941105762,180251.3969476162,908406.4401395044,3513370.251303423,39238.53068077889,32094.70703993841,36518.69404759553,39735.38791838352,1379212.780004022,64737.24491761755,201930.8191237562,37512.19664965788,34782.95035101297,35522.19267519476,41762.95700646677,50711.41700368555,138344.114661673,5955402.67882587,33501.29802126489,37308.42366968683,30343.03897908255,44237.97577246278,28860.47231036158,52597.93257018468,47305.85486254795,68868.41793392046,29397.31278511832,51476.04482938295,35985.55806208454,55059.53696622005,48381.11749231599,23976.16057806036,3179762.718543324,738777.8504308781,28991.29201226308,1101651.498096898,53543.17265060142,47038.95702715914,49722.77983188853,37108.55933201082,45548.41913651737,260769.3682644628,42582.54587390518,46399.73772003473,122206.2823348118,31975.25591543353,42221.42928026547,40141.71810232545,42429.61017053624,41301.17463551886,154217.502186773,129968.0067107403,169623.2669657797,226138.8606472572,132386.3706117762,250209.1426490018,260538.5301127496,134658.091269983,202833.4671985232,183190.598873122,176344.2357550757,150698.0442971314,145796.3026288764]
["Com_5856_neg","(6R,S)-5, 10-Methylene-5,6,7,8-tetrahydrofolic acid","--","C20 H21 N7 O6",455.15431,4.861,454.14703,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results",{"$nulls":4},81987.77526759409,85614.34459947557,103736.8157910984,129786.6722579822,68252.04745920109,111960.3009110786,71629.31492418582,63746.96391855245,97892.07489156292,103455.3378066567,128672.7128152586,139662.6075483542,128087.1134582758,92426.89378675557,81036.15568873708,73494.78329214553,114441.9532957666,75643.419634944,89233.64198635638,110503.7585612859,124139.6142496441,158008.5658998679,148261.4023661182,132002.9845639733,192807.3985443904,112886.6261066845,149828.8578358354,143135.3765902795,128535.804408582,123833.3625817475,123699.4704343436,117742.1198860364,70176.37702739767,79715.13614022254,124268.2310091399,88113.83256335731,127947.217592714,96142.7740208693,92147.648747504,150622.8589800818,105521.8530948536,101264.0506465356,91426.48001773462,104335.6454114839,73194.47608012895,69973.90043504848,77711.7009026305,75494.15629432611,76550.43588817152,78128.45101618099,75176.97419301621,79839.20056819885,90213.37866443176,73394.81310811527,60824.31253409478,139913.1066504429,79557.73232790975,60226.63955481266,66780.2289292406,57884.96278500735,63430.50855387601,67030.11684641556,63177.35977497137,77216.51018618024,60088.67945961452,66504.6316328977,64806.91633358543,60229.28082943043,64867.61522468214,63784.58611504381,62855.55986317592]
["Com_6139_neg","Valproic acid","Valproic acid","C8 H16 O2",144.11441,5.934,143.10716,"cpd:C07185","map00982  Drug metabolism - cytochrome P450;map04976  Bile secretion","HMDB0001877","LMFA01020291","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Branched fatty acids [FA0102]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",308952.6562598137,78911.57838994991,132472.4539648157,173963.2647073668,63839.97570730814,246615.2175463253,333274.4627681509,560519.3629834284,119303.8400357371,147136.9216716752,166989.7816671471,167208.1663008719,1664148.05888989,96092.60493368356,186920.0840100425,78102.53100744115,157489.887624843,81209.79099776983,115287.014058318,119889.0204263067,75011.84264930357,106816.7777739565,142511.4744208583,141806.0384261908,94418.98483916512,152387.3947739965,406158.5965862641,98361.96323066256,85181.2032026736,121566.6270381306,94599.72600227052,65388.28373603403,398307.3279850511,602488.5020144848,84686.45179234528,188688.2971070841,91329.79485195065,56056.51468356041,132872.4462699305,75970.0880053571,199048.4021343124,119002.7133424708,942252.525320072,150518.972165464,135721.3511928632,142322.04262121,727832.1093961658,307104.3767346062,195985.2588012681,147720.3498462841,137985.2179376888,491612.1942912344,705934.116954744,135422.5457195309,54704.02411198698,231821.3766797583,350728.3240385089,144756.5541534165,298553.304172495,361417.8142711152,345530.0338769084,415777.4909033378,450683.0291886363,423203.1729240353,502161.3496929871,374150.2258179242,301274.4113255682,341971.2460041327,280161.1270777363,349017.6057170492,318779.5875463363]
["Com_957_neg","N-Acetylvaline","--","C7 H13 N O3",159.08905,4.99,158.08182,"--","--","HMDB0011757","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",3721460.63821177,4918839.610893681,6108673.756559791,7500907.635892045,3325008.365226271,13002177.82793721,5348313.836221715,4051923.305243093,5604727.807501748,13733629.93683165,10650863.41821004,6547737.861195209,2050106.809001706,2872070.170142687,3746082.600927541,4637113.720738796,6340119.120998316,6339141.502868197,7205798.719897877,84385334.08568597,141256475.6034135,88903384.92608607,17008144.99159344,127429906.6185147,30129390.1874046,5402790.571502904,32091566.80668462,149689990.36907,118596961.7503495,82519612.8996453,115747634.7649485,102348334.6231508,61658795.26780123,4305868.077888773,122242553.609701,49562770.48232138,180624367.1678842,89097086.61622605,120144071.2978424,45677655.59722973,6735776.395265558,4726521.04332044,3052355.263490374,6003629.835208326,6058539.447883029,3566865.324050479,6790728.614038588,25595351.77671106,4846638.27999749,4148534.290780569,4011466.398315603,2482667.586040214,4022176.644445205,3265052.499136005,5954373.198200802,4015467.791347681,4281000.180423716,4728204.380216355,22019214.419209,21864978.6416552,22964283.91774559,23622294.39268626,23361401.79633003,21092563.65916111,20245094.5216661,22936012.47881917,21397201.38063328,23537457.12262723,20143152.24768302,22832560.79560945,24099802.91171392]
["Com_1275_neg","Asp-Glu","--","C9 H14 N2 O7",262.07949,1.437,261.07227,"--","--","HMDB0028752","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",45697002.9735679,89784614.22406457,41470813.32234596,87612035.97743383,52096737.28453291,45903557.85423132,64721218.93608112,60872971.09607611,62033373.0832739,52543282.59309758,79011009.46539018,106181112.9405659,90061764.6155616,36539531.01574808,42039208.26286358,69912286.62924142,53081490.56368741,52641005.70369366,76363523.74764867,52251345.8651028,39122900.91941222,105317018.4151154,95834326.87323707,91715179.14996308,67753832.70288882,83931255.21604308,83454792.08710496,30099705.72758764,64759548.48536372,23279177.18676324,64982937.61302784,56989400.18310797,39244501.34912491,38799856.2047129,97046310.54143554,44332593.12013175,75429167.04564989,46033256.03641693,40015514.08688778,47872178.29354207,91013422.2030014,62739943.06128822,58529761.59497034,46176208.432594,48911293.43407062,58610524.20194269,57171584.97736702,60303870.84049737,53659891.09680135,73589322.3399236,34524727.75534068,54447345.85765938,50810515.18249413,42187624.37796351,39107987.26281323,57449470.38541051,45440815.31928735,56444894.91265585,39633179.273838,33858000.48541589,28354671.96637792,34257951.82204615,34680804.9275336,33521385.43204553,28635537.82240251,38202284.44454292,35123863.36348096,35809946.93695946,30359332.71530866,30266628.02773608,29638078.92287201]
["Com_360_neg","N-Acetyl-aspartic acid","--","C6 H9 N O5",175.04751,1.493,174.04024,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",14746835.97150107,10623719.172729,20195105.32313793,46976160.71818339,46075087.62572937,43814170.5576602,16834938.84240495,15491183.21778931,81569466.50205217,18122106.40771396,15555071.96081386,18348918.29878921,11116046.88005566,22906700.76140107,29390192.63278708,19568509.351286,58325248.81228685,46295699.48670294,21644493.6526784,281295644.8225871,271821197.1448885,590351690.0328163,63575260.01171066,367982507.7733142,183214149.8796765,58591830.10200394,99816439.44301248,29909112.81242154,20471424.3503411,25296254.49415993,254606557.211575,109097514.2243324,48640261.25697314,26042951.94732353,276230624.7353544,26595227.00160835,264155944.788275,57402862.0407306,28278642.6141266,493475962.1578261,32187077.37857028,11688818.58331309,9379995.835480971,35035255.80240616,40292871.42269915,21505537.59855561,58539823.68111581,21096042.11529446,10437293.35871677,11844020.30048899,29853101.75465008,29820802.39353048,55142011.44482517,32399527.49995954,8472555.904472718,60626643.68159212,59990178.21409161,10136987.86611858,19491950.515261,47808928.69310449,35818202.60473625,31036769.21496845,33723849.81806944,28937052.35764411,20742662.43523212,25126283.22600967,26122256.00618241,28903425.63498765,26891701.84840216,25902274.82584842,33891272.34479412]
["Com_2277_neg","4-Hydroxyisoleucine","--","C6 H13 N O3",147.08896,5.071,146.08165,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",8935603.02651809,9351846.1961691,8559493.39935112,10537319.12374956,15275186.50231421,4043807.613417561,8534585.497555807,8544373.580362998,12003647.15422977,6242205.943133468,8213901.641965611,10700901.6766244,4970376.543840719,11151866.11970598,12308728.80329715,9247451.270674488,8257425.453137753,11518626.6339935,9040261.943641672,7554082.39192024,10221281.05207806,6658355.763845976,4537497.770256264,6554940.966302187,2289485.919277869,10223969.22740124,2957766.190873228,5860722.612638936,5868199.604452611,8913927.998050904,5195075.929838164,7921621.863135208,10725797.42278629,11987540.06139676,7591277.387317665,12173063.9904108,7881021.794225011,14716150.03139358,18084287.03934066,3901421.190633234,12440603.52293566,9811165.941577245,10071674.40311848,7998620.404941212,9626507.896310192,16883370.89074843,12692397.85849005,10550844.72806568,16059650.69988534,9089955.261217596,13980426.98992712,12790141.96421324,9903172.61874224,15367065.99771498,7122824.871495424,13272686.76299901,15205279.98876158,4067570.002429386,13505349.8494225,12923109.45528238,14257608.14091371,14273677.33508107,14951446.48010415,13418161.795435,14276383.71829085,14930153.49471568,13329214.93877621,14235744.23352887,13838020.00933822,14088977.6624809,13817494.91501072]
["Com_3474_neg","5-(tert-butyl)-2-methyl-N-(5-methyl-3-isoxazolyl)-3-furamide","--","C14 H18 N2 O3",262.13129,5.207,261.12405,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},4931402.974471903,3298595.150509017,5244274.753687485,4953788.137202553,4900228.768582511,1689030.585971257,5044071.295941735,5219114.309230737,5104629.323741683,21367665.56715892,2046279.438765382,3023868.119494548,10397956.6885271,4226325.735391988,6849153.23745133,4598750.354897684,2464267.618607241,3568793.223188499,2758292.154284256,3126285.032076647,6385320.430461467,2097524.466599889,6237652.461568336,4125412.479812175,4351204.492016252,2393408.17112933,3432435.859909816,1769505.210815037,2738861.931494188,1166779.759054628,3902800.302807311,2057330.870277674,3051618.684336717,4966139.630057899,4386790.372976033,5240671.105441459,2443191.484498224,2737791.577844183,5527744.224375868,1037882.407279033,1586437.438185456,2590840.749478972,4640611.059090931,3652749.40918019,7925518.206897952,5425094.496278831,5230280.449183886,5465027.4380877,8663083.821658108,5939423.724796608,13447531.53743958,12064954.93131921,12082306.67729638,8594658.162298376,4008503.474923496,5153249.63515815,6802387.476952522,3553119.398349733,1215874.39074693,1144525.933647129,1164879.10345848,1288647.577775103,1106363.01578867,1100635.324562297,1274107.990887922,1127632.601048571,918227.8931733716,1250232.12563808,1024453.270328638,1095429.904869525,1500454.684386773]
["Com_2291_neg","L-Cysteinesulfinic acid","3-Sulfino-L-alanine; L-Cysteinesulfinic acid; 3-Sulphino-L-alanine; 3-Sulfinoalanine","C3 H7 N O4 S",153.00909,1.487,152.00182,"cpd:C00606","map00270  Cysteine and methionine metabolism;map00430  Taurine and hypotaurine metabolism;map01100  Metabolic pathways","HMDB0000996","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",56078039.81768136,2437422.845349796,8366840.507261254,5087130.827375109,11788785.83306157,5067900.706159245,5864747.995875453,15587025.31852252,5450699.199914867,22841486.19580432,9320179.113385014,5460458.426049688,6339179.458625227,9461709.774881206,6664060.762349195,7589309.485574042,5860970.392613845,17083025.18137757,5424992.481966903,3443415.461631037,4185363.061838373,5682927.59786095,10488003.49588085,5941801.28358636,9235767.726227876,11054944.65839187,7641939.339113289,9333599.55605695,5284150.057769789,5677523.937970535,4434653.342879269,11471630.2863461,12295977.42364136,7192275.738482467,4848613.611694765,5960610.300508921,4361790.544699144,6988306.931854273,24753302.61307414,4033246.857757245,6775993.23641507,4083878.891862046,10044998.4023838,5100132.057417259,16697333.01839168,12197707.07684491,42096705.10969049,12490160.17069643,7761641.565998169,5748473.639262303,9454821.425601654,6028773.118840897,8174838.940024588,7902059.675929489,3933336.134809786,14932144.65433671,8322417.75972418,4204021.450612096,9985078.48084126,8996634.158752322,8271186.821786591,8302354.507309763,7098953.117433626,7083279.85449323,7689516.653388449,7906279.04120313,8037426.304017863,7385437.669217807,8632855.204061823,8482800.999938246,9869780.894444942]
["Com_478_neg","S-Sulfo-L-cysteine","S-Sulfo-L-cysteine","C3 H7 N O5 S2",200.97611,1.583,199.96889,"cpd:C05824","map00270  Cysteine and methionine metabolism;map01230  Biosynthesis of amino acids","HMDB0000731","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","S-sulfo-L-cysteines",4877914.589006193,77688402.99975681,28796456.33443899,39525444.1440035,18270958.32296183,8442889.323746873,37365114.57366633,2600853.265037863,69186309.24412112,18621662.4295195,21031443.57776327,14526123.546376,4361852.934486768,5687774.143230984,5044258.221067444,20448802.14972854,12572485.16071212,42193545.39382326,22671340.25024328,114335702.7750799,103861120.4202347,17706779.03476324,31014080.3334538,51356361.25363384,478313563.712905,5647974.386075494,19404407.85144052,24389276.99547468,64554273.32832368,52875505.34843643,51147873.63080061,63789667.69387052,11423498.66741402,10368385.38043697,13659807.10550651,33337912.57637692,36490558.2861605,46777592.49390893,7507259.859677631,35860514.50537648,5789170.005383768,41841484.47585324,9130722.744486174,64957950.57542029,11373273.85495041,5487445.184466147,5540177.444206074,4649577.473213209,9931254.69256692,11999721.63723111,11408686.67642123,8614679.364243014,12670391.65515108,2755015.865784984,5815630.710908004,9699670.551033707,29486914.30670753,10155460.89481179,5502546.1216155,5455503.076491771,6616541.115656247,7043237.063799125,5689144.698563358,5832752.017551825,5394291.277201551,6172490.012289557,5921969.427344216,6027886.379897502,5937260.37652385,6330702.65852302,7518393.312341882]
["Com_1124_neg","4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile","--","C8 H7 N5",173.06827,1.557,172.06099,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match",{"$nulls":4},7518898.957279718,9369859.825334713,27477147.34339254,17136311.24673266,3193564.143034674,19989229.490419,5226063.897013361,5163648.968698454,11336296.34718032,12629017.09714492,33935343.54529279,36511963.12992097,2989760.849332769,3322340.769379548,3459942.518991583,6737795.732061951,22845195.61672294,5144531.421050615,9999701.003584811,42926690.26117498,14315787.66184916,83787996.65457612,8748737.673208402,57153830.91973004,53014602.33778869,22129995.24254803,14135722.96160736,148780762.4364944,78791714.26745321,10179014.83836872,46800126.04112701,20037563.49573285,5716891.020797641,4166284.757902166,57327561.24491249,3523192.789339053,64949379.43601596,11435448.29575576,7338256.242723369,94230356.90269026,19921484.33129813,12792766.35233663,5161231.314481042,12099619.61864515,4887449.528848908,3959098.664082311,7393615.635465895,4826355.887971285,4535211.624291566,5573393.337014929,4382265.220150969,2704467.207979456,4591543.800267525,3613439.215035478,4579380.472701876,4236961.456488864,3319155.673066095,5228589.538614016,10649337.4776163,11398621.76842946,8450258.778466102,10104185.59756239,8406090.334463513,11612226.6448089,7097981.398903998,9538918.91967203,8305515.830725396,10285358.8808245,7987595.255698356,7534126.679920187,8115209.987512184]
["Com_968_neg","Tetrahydroaldosterone","--","C21 H32 O5",364.22439,7.239,363.2171,"--","--","HMDB0258895","LMST02030275","Organoheterocyclic compounds","Oxepanes","-","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","No results","No results","Full match","Organoheterocyclic compounds","Oxepanes","Not available","Oxepanes",729061.82725783,1942134.91622358,3165678.25732189,1902210.160866385,6177077.662924593,10713641.08904901,6387695.095002877,135326.7675161202,2065583.132046674,19585831.06480961,6314883.119161718,9569391.92016015,114171.1003179238,57441.41378373139,189665.8560437905,1095938.124396327,10606475.77032427,7089175.047660621,8594217.260929026,46219463.90731108,77444504.49435416,165139822.6502284,337574.7867724244,66929931.43150082,4816789.46282618,10563604.36322222,1724373.09410507,110060278.6723982,59898442.87740576,56882979.41423037,53828064.55976526,25129641.81825719,980085.2077881236,1528182.44743549,41650541.92091257,2620398.470133543,31207841.9495527,6437713.939391947,6916996.739349287,15691699.90638327,8892727.777506636,3626695.666095947,1068376.936854702,3200746.55227535,6073053.136215836,112813.1160985718,1466135.599742182,113438.0515008242,508626.5025556044,4343462.927481087,1156448.656250454,193895.642664398,925705.4755938352,118268.8403591529,943204.3256236007,30399.26231850041,1021600.296378298,101909.5122756302,15935219.7358021,12698965.01956626,18107650.76969562,17117256.9199421,5177362.511653678,15093315.27431142,11814730.0943754,15351371.50273924,12846923.68755254,14551042.70156048,11045215.7751142,16500125.87198201,13549416.76879008]
["Com_35_neg","4-Methyl-2-Oxopentanoic Acid","--","C6 H10 O3",130.06255,5.884,129.05531,"--","--","HMDB0000695","--","Organic acids and derivatives","Keto acids and derivatives","Short-chain keto acids and derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},36740480.44682552,335301597.7843134,650735709.1425178,695429886.0785062,99911845.37541568,957190608.2031868,199305582.09464,24796026.63638671,531921591.0116352,242968330.0202046,2042302780.887236,2688458427.980431,30194150.05378777,21200553.63742173,15901222.65599968,76980258.5205485,518569526.1556245,304606153.6321814,1174863281.474261,711694360.3157525,1263056333.527778,897317569.6825666,74158980.55171159,670397254.4027116,536264557.7701407,3248277768.773852,56208274.26392446,544461154.6528046,1037854739.453502,1356023165.683662,347662017.1002725,414796323.9677319,47727552.77331379,52024940.40148087,404226240.6578132,29292872.03147233,1312068545.441616,73086170.36804263,48719479.74363983,133971513.7492839,789618919.038267,544609363.1243098,27254584.6605172,351424047.5822166,72931810.02744277,50081969.69050176,48786886.33040159,37641845.11195376,28251431.61570701,136330842.1532963,30811376.0119095,17576060.42267183,70971758.29480325,24034340.73650423,27291418.13858589,65177806.34055798,147742733.9102139,38130987.7476374,181608158.956584,165834144.0466235,168180465.4311261,174580763.9868104,195196313.9740276,166696549.7897246,121752118.3124228,183128518.5762981,179734868.3948471,206022431.4626225,179625695.9755872,200143891.9493535,192209490.6310605]
["Com_919_neg","LPE 16:0","--","C21 H44 N O7 P",453.28463,9.534,452.27753,"--","--","--","LMGP02050036","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",66307629.32521583,11282573.29414705,115124327.4100124,154512.7337527713,26224338.82730429,77027.95209628427,48970323.32591208,57482779.71396575,10772727.17166768,127519120.5805538,2411320.406920654,1996839.372509798,175565180.2567539,18129764.31095093,45923844.82519062,10384109.22697566,129308.7687334392,9231715.545622377,11219039.73468794,65097766.27465725,72994.01753703189,1874998.445150631,9548116.9681912,51024947.27433739,120609336.06021,86729.32885963564,12480788.73503378,82506.75214775046,87464.96719949959,2023975.747632821,359420.7949067774,5324222.257891557,21364782.91983181,22928064.9598784,214648.9997467375,8158449.597324671,99518.86520332136,5555936.270840717,21247408.1483463,101022.2367934081,139604.7793035733,1077658.393488379,52517244.34324171,2552557.371177457,117120253.6797414,25988716.86639553,49715823.79182092,40593549.73850137,6664617.813264522,24618736.66067633,30644355.30095188,24568902.91975728,68139652.47263886,14454370.93766193,19744402.00375176,53854695.26531066,28181803.60078933,17172303.90608266,17201457.5615952,17672045.55976755,16463475.69407218,10601210.45945828,12645392.69783233,13096581.06670304,12496536.8138052,11449270.82032449,9524698.45472351,8811702.89677472,7160872.73565314,8403961.682378452,9027732.521851212]
["Com_26_pos","Creatinine","Creatinine; 1-Methylglycocyamidine","C4 H7 N3 O",113.05886,1.377,114.06614,"cpd:C00791","map00330  Arginine and proline metabolism;map01100  Metabolic pathways","HMDB0000562","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",390665697.7058179,3685636821.028443,2298512356.423392,3502710830.534449,3345962528.692832,1069711534.410396,3038059366.401235,501772601.9005161,3252758228.661685,1859026518.0716,2620088515.931598,2541235313.375349,208774873.8154754,274513944.4425777,231748082.4377744,3515438062.761245,2019837348.818965,3912218634.787558,4232033960.53145,4724519955.716646,4148340094.605686,1571263092.970972,5779558628.007956,4378576847.777617,4966766828.809884,4482623308.577445,342551250.5896895,2338427677.456993,5731976672.181674,6769729010.423971,2831592932.982452,4362168337.972126,4904920256.193777,4919904800.231093,7774277161.201256,5006742931.63953,5115980024.568603,4972009949.150868,4658194093.131499,9993425607.790655,2300104404.092376,4321459660.0198,3808277105.163182,2539291833.889618,2918957476.05788,193532561.6050454,433356945.261377,382183892.2462034,417037946.6864392,3513619333.013837,4082881848.868017,324640118.8217307,5026941409.932409,370708898.5044898,527421448.0217211,4180726340.058886,4224936409.103975,596642958.1470416,3078992042.45671,3333902740.113188,3438676368.622941,3566068647.383684,3453697531.720504,3766026057.295053,3424996537.973431,3351758780.650432,3575202865.878097,3547574882.904033,3829175390.13697,3224084952.037264,3533720327.990615]
["Com_68_pos","DL-Carnitine","--","C7 H15 N O3",161.105,1.31,162.11224,"--","--","HMDB0000062","--","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","--","--","--","Full match","Full match","Full match","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Carnitines",4240708625.529461,3209526781.140894,2302683176.040616,2585094790.88224,4492752338.173643,1273373230.809699,4064591584.702605,5714178731.808701,4500516044.620247,1441847362.520179,1564468894.385561,991818358.0176256,1871664606.73526,3289965434.879534,3457592346.966566,3718971612.632644,1787751211.257625,2909388898.733092,2731925579.83173,1347945669.533866,1731884076.428673,789556148.1545339,1811826049.616441,1747644507.403843,1153557811.234365,1306071127.769678,1941061531.219634,848498504.7208223,1019679594.371235,1618503851.643058,1480742184.358639,2738664523.703471,2355526236.415431,3304602160.216504,1775156516.531617,3229654265.648408,822628724.1015551,3063158262.471564,3724212107.277379,620366071.26183,702081708.3879284,2992953460.100068,3035326568.303944,3345760872.751856,4069250478.034915,4460279626.808435,4363900705.829486,4128323385.560864,3524501517.119911,4541453661.64254,3064205584.911054,2916431952.849379,367668378.2378693,3866624214.690321,4248584034.186306,3504029990.872653,4281973193.33866,6363540854.389487,2939048776.86094,2864123061.850637,2836935560.296367,3201883339.539222,3218331563.324428,3105279923.404,2988473662.088785,2911958697.394127,3075332014.855368,2983755413.802643,3182660660.259629,2960021809.176969,2733657801.087531]
["Com_98_pos","L-(+)-Citrulline","--","C6 H13 N3 O3",175.09563,1.329,176.10281,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",275702772.9593716,843271686.9416559,1552267209.53399,1031437817.479632,696283992.5009196,723631946.1227038,1322750471.957406,356314484.1426522,1472104713.327526,907584229.1724,2461700614.853322,3543649275.436449,403748585.7178378,621638814.5338968,605930757.4219911,892110356.4070933,1585013610.796424,1135780593.33204,2816170065.85965,1254099734.462232,1025366734.415726,990493715.1884928,261296211.2849343,850316016.1399573,581343550.7314608,1990910312.95982,428971299.9204583,592008771.5703671,1045327378.547502,1050057480.060102,593251379.9556754,538576035.794592,342345699.9458266,428237384.62569,504193872.473608,626478052.1966517,836969584.0267935,621714182.7814949,385818559.4798357,299110221.2277033,1688480642.437214,2274849675.919084,327847242.34658,1250307752.846634,367561155.7271569,621090679.5050765,294532710.7746516,295019948.186716,357561196.9816348,877157615.511629,538662925.3876005,330556491.1315241,1146042177.004964,307858218.9350033,434734605.7193064,543789017.5726036,709099614.9347957,572387270.1202475,386619799.845752,378235007.9794299,363309631.1948433,393539133.264697,396631456.8606604,417176016.6934497,409036860.8280441,419576375.4544201,399031837.5260097,395691216.3283675,431276144.3761657,383515775.628389,399697322.0869792]
["Com_168_pos","Spermidine","Spermidine; N-(3-Aminopropyl)-1,4-butane-diamine","C7 H19 N3",145.15792,1.099,146.16519,"cpd:C00315","map00330  Arginine and proline metabolism;map00410  beta-Alanine metabolism;map00480  Glutathione metabolism;map01100  Metabolic pathways;map02010  ABC transporters;map04976  Bile secretion","HMDB0001257","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","Full match","Full match","Organic nitrogen compounds","Organonitrogen compounds","Amines","Dialkylamines",1804064224.627059,884887432.6799545,699992130.2461325,665486446.0255828,1441740416.431425,816958481.4689896,431389978.5696297,1619559046.812132,357121982.0821265,646087893.5274948,1861689436.372144,775178503.4726617,585423594.8050789,620795772.4328226,581738408.9418466,1399687545.681044,126656389.8189411,348772471.1128949,622537829.9590615,409124571.4961811,642927005.9376029,855780837.8216486,496833148.6211456,495646290.248532,748469392.2085613,640500914.5058562,808246140.4430212,664478427.3659934,944490639.0340992,597386152.9809257,613933527.0500454,900235787.3710642,774901278.1137877,388807827.6949927,1897104161.757817,337795817.4429011,506508177.0939447,465692677.8255776,1155520225.399296,588566546.730198,556528676.73133,295089094.3169382,1323813195.220638,80787037.00043099,863628229.9175404,869951104.3814243,2156676275.416487,1302914158.261827,943906859.1721424,705999841.0949392,625823908.5292329,551168915.9660672,596218016.2405912,930472457.3810928,483101662.6279937,764249945.8547122,696235971.8762769,793804853.1427535,476870303.822293,692442982.8339916,581866264.2994852,508804015.1896156,652132930.5802752,688114341.9270294,658641553.4267521,755195158.0627515,585253466.8088455,699117275.1877615,681523191.3171955,594208855.8549596,411083084.6768462]
["Com_224_pos","Triethanolamine","Triethanolamine; Trolamine","C6 H15 N O3",149.10518,1.291,150.11258,"cpd:C06771","map00564  Glycerophospholipid metabolism","HMDB0032538","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","1,2-aminoalcohols",47363988.05303729,701046581.0165762,121946247.1568859,254204236.9799518,1831906552.699632,96880245.35669334,754395901.4832582,496160395.715659,222751571.5564873,53943730.53714663,103672681.9002968,75037243.70602703,92414441.78086664,174805610.3240902,153417030.3977918,65767427.92361072,90899916.82107794,2058160226.301308,135826837.1466949,73563805.856569,70164417.03463295,18776043.33380064,55743970.80166224,88862203.05338387,82439372.37980543,74735106.22758886,61495350.25866207,60896583.52704637,75812211.26250418,90688579.13747726,133856781.882363,937713191.893376,262956720.6580209,343007575.5668076,18497785.71462015,154645785.5127522,17556448.04628132,359868714.8830385,453791283.7568329,85364553.32077995,143042765.6403435,529749838.0064717,620651315.3103118,180775419.3404785,57963804.18559065,88300017.58706157,43103840.3260588,47175254.57170992,124436646.2646239,437415765.2939744,436432354.5485174,603183595.4117254,182665812.6044106,126623532.7720579,141994812.3984214,76000580.09148999,75341065.3534521,175939537.5960622,232269296.858609,229639292.5827592,230152740.8338805,234204806.3929378,236906916.305745,228046098.8799603,229086415.3782322,245565054.5900544,237826876.40217,239412640.9894698,243685448.9524474,228841227.9605207,247970304.7222184]
["Com_311_pos","Urocanic acid","Urocanate; Urocanic acid","C6 H6 N2 O2",138.04288,1.399,139.05014,"cpd:C00785","map00340  Histidine metabolism;map01100  Metabolic pathways","HMDB0000301","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",85723826.52583474,303155814.0203172,408267376.9759991,361137062.6848359,271293239.8707138,145646033.4219258,329906696.0023059,96893958.17873518,344207579.5613221,153047267.8640884,570211246.9685895,544329564.1034751,347425848.4334871,448881253.0768115,550962604.2502905,304978297.6190537,714195844.4274268,445828813.5806653,612013179.0649326,275738538.0932916,188971765.7042796,257925750.735344,498387859.1277491,544433028.5815202,745130217.0819169,499687056.313734,360129184.166464,146717114.9944846,213284012.4231213,291724546.8245733,252385557.004552,231262323.7321662,357059831.8211828,574283008.1666815,102495028.5073194,400314879.2786027,220200610.9401564,395533295.7756578,121267029.9262342,17175675.50515484,412396547.8541107,370442151.7819009,199682099.1508281,292302503.5809954,129905496.402667,127513571.8564509,61639105.00131363,199511345.4702979,327330628.0772852,258762843.1231864,131896769.4942863,191960660.6606239,406444010.5334077,364138249.4237377,384753478.8501651,527702842.1699794,502154163.8526871,41696430.36723955,418429904.017177,621622095.2753785,518868760.3967992,523311492.6367973,521549222.0819064,654245426.2942926,412760783.9407553,380487840.419549,575343506.7547388,594448971.1709033,438403430.16762,106487844.2546622,630158208.2925141]
["Com_323_pos","Ornithine","Ornithine; 2,5-Diaminovaleric acid; 2,5-Diaminopentanoic acid; 2,5-Diaminopentanoate","C5 H12 N2 O2",132.08977,1.134,133.09708,"cpd:C01602","--","HMDB0000214","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",67368767.15506588,73055076.75772443,29946888.74217132,43559942.16537197,80146546.53742935,36450195.47074084,70127149.87510283,95827037.4294082,44752839.96383386,92084043.3260066,26000762.17610994,35274991.1548616,104602850.4947732,77576349.9585073,71670954.34504084,77349175.09585589,88656483.04759878,161324328.3175358,93455121.85653707,33179010.12535764,68339304.89608525,65289147.57193608,105323671.5328446,36390110.3185744,59644140.36423173,78081205.82118575,106269362.7065809,24821530.03584276,23208958.69277878,45817393.59282269,24188394.08549183,50274725.60885092,120534946.431497,150361916.5555913,19603383.72568982,102700510.6046259,44800054.95656062,89395930.08387542,131549762.0749328,14570816.05240996,58186105.78525493,79890999.53173754,80146864.58832645,58759233.91920686,77899432.75456916,114298099.1925325,62422173.94181512,70694060.43305355,98093210.64059092,118635430.6229995,140369601.994088,89301285.72336197,92507387.42019293,100704985.8362169,109090790.9745511,130080504.2320707,138751850.8651464,61782726.34711019,307240789.752978,261917521.5918414,238028455.1548398,254568686.9578392,240909885.564657,240680572.7117849,357527571.5392805,245647471.6840877,230111777.081469,236863845.8802277,330322568.5059268,338675953.7847168,214541240.5207184]
["Com_468_pos","Cytosine","Cytosine","C4 H5 N3 O",111.04316,1.401,112.05046,"cpd:C00380","map00240  Pyrimidine metabolism;map01100  Metabolic pathways","HMDB0000630","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",277918291.8503979,110062873.090116,148257320.3570498,72802465.71668863,52006316.0660281,90196675.69004668,45660701.96062504,130033225.9167128,39592568.20821024,90465644.71765548,106396502.695807,58552500.26286736,226644065.0657414,62129876.1148633,39649410.52339374,144679036.2660364,50594449.12475573,38238177.52600046,50350046.07075393,98511689.25453706,45100101.10115646,46232443.39316985,28023538.702867,136517608.0504039,84528299.02193956,29203846.20597632,19991417.42316576,43086210.77197036,105673002.7394804,94026348.44363302,107805846.2795165,48261588.94602794,141173594.0061745,90226481.6250687,77412150.70909534,32183076.57334394,35404075.91336972,59167280.54957166,93650356.27224962,42170301.23273961,26436267.88391529,52568219.15515606,120910600.6828678,37768793.92130098,85570341.76086538,124930026.4948437,140541023.8509831,63235534.17977649,85639338.78964931,162137503.3072254,31305744.11480869,113499689.7778752,63932149.42512614,85451583.63777916,160418463.9732798,69558887.61403742,64184213.98388734,335511770.8786229,265086927.830887,283475907.1140368,291244272.7534972,257660400.0800996,264065088.9125745,295074817.6738008,281974823.0327588,266625177.7147217,268655903.2367462,282601237.9007409,271056173.4750202,259660177.9656979,290771879.6952723]
["Com_553_pos","Acetylcholine","Acetylcholine; O-Acetylcholine","C7 H15 N O2",145.11023,1.451,146.11751,"cpd:C01996","map00564  Glycerophospholipid metabolism;map04024  cAMP signaling pathway;map04080  Neuroactive ligand-receptor interaction;map04721  Synaptic vesicle cycle;map04725  Cholinergic synapse;map04742  Taste transduction;map04810  Regulation of actin cytoskeleton;map04911  Insulin secretion;map04970  Salivary secretion;map04971  Gastric acid secretion;map04972  Pancreatic secretion;map04976  Bile secretion;map05033  Nicotine addiction","HMDB0000895","--","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Acyl cholines",57159520.13678966,58924039.14014343,51390881.84397877,62688527.30594708,75038596.78251255,289839581.1772174,149124839.703632,32926313.21210321,70157238.28460112,215200231.6683612,73362003.2395131,73180670.70469081,41261687.36889687,33971986.51486538,26024509.18062931,94458774.35615388,408742700.613726,315904348.6105936,174650078.8866814,166499536.6090752,296267321.7666773,209801380.1375817,22636446.38914428,155661678.0220104,107378914.5635667,84383956.3007147,42880645.75476052,167158339.6303771,165671557.5600933,112173994.6225279,193132848.7594008,124701629.1831134,84098346.72513683,92152899.7975024,297392889.9094502,244145725.1742831,503959031.4083818,74302647.86251837,87936302.98377655,236416317.5535468,141619234.2949265,124095979.7080623,33916149.14113121,138199136.0371045,130584043.1655775,71036641.46418507,278122844.5394672,48984644.04642894,53250074.35586693,104282201.6439952,45376507.45292047,36144670.21241997,115157758.174291,70179079.31702979,51946047.43179023,63309442.23828827,80865483.52301921,81768781.20891751,115789983.193368,71578644.9189906,79401535.39796643,95502221.32105394,85709647.63284609,121811150.7814648,86092240.82755588,108476220.2827832,149816040.5671004,95720649.67554818,122060833.5252377,92221540.3768411,121399148.8589682]
["Com_605_pos","2-Oxindole","--","C8 H7 N O",133.0527,5.625,134.06001,"--","--","HMDB0244886","--","Organoheterocyclic compounds","Indoles and derivatives","Hydroxyindoles","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolines","Indolines",14394486.0361456,8188822.648326218,180781433.4475938,86398420.82115284,36581479.98891298,666257106.7437618,40484537.27831916,8270598.485754087,64053596.90661278,34234498.61396135,97365764.9675397,130343435.5061723,4378269.0864505,5038522.963880085,3648006.59597272,3443414.539102787,81484328.99095577,91656886.82569836,70951264.03054346,8487691.663242962,6711182.808757743,2263111.030922995,591694.2775377431,4986975.616796527,3415295.96675855,359387424.1175697,129987.5120748202,2667155.057728003,6459784.360497613,2884207.146607595,4867402.861574189,2085573.712390654,3953245.108161047,10537141.426891,8829254.044854121,3454145.412694358,4825862.1366464,2834584.137191671,7990604.308725336,2702949.61103518,113128208.2959408,54933193.45184879,66278208.36521885,107172878.6663078,32270930.7172254,8714831.191188324,35040205.35562696,1378314.320018225,31748929.72960501,13251740.10325631,24568523.69599484,13138996.34403328,31034266.7876848,4406334.677163716,12855630.43838691,25041000.07009193,124001406.1785021,2134564.657014615,19387943.0973874,17287501.61161494,17375476.39680842,18744696.97829875,16449986.54063069,16174551.22752964,16083769.39481966,17100457.62957915,20003313.58495376,19086112.48040322,21382725.69630033,20195323.53361726,19478372.90832866]
["Com_724_pos","Methionine sulfoxide","--","C5 H11 N O3 S",165.04591,1.343,166.05318,"--","--","HMDB0002005","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",80401375.09541097,75488976.40304738,46561058.36527423,73019330.4634976,80094536.51117551,32252095.88795442,128434396.6497943,43329079.84489042,71461899.78728327,98751223.13826014,57783026.32261272,165535062.0688722,300701048.3760666,156410907.1092847,89887813.83958863,80417493.15133998,108217463.4923672,73212782.35412188,61289631.1078848,133734284.992599,94217934.438846,73961943.27254488,124250118.1048785,90853497.656072,171412968.0015152,59927213.61842056,144451604.8448398,53478144.04786205,102915372.1730144,156853563.9390572,119110680.6395042,176195005.8739797,65163208.63838393,150899045.2472593,70384833.54466583,86732574.88930555,45624105.86796538,98932744.55294022,115489752.668269,19617311.15420654,105541777.0409827,108227372.2988962,104721088.2650574,93538879.67973532,73852595.74910653,47975664.96974193,82920688.02304782,128799844.6650066,84143866.71982768,166352128.5616601,103356627.4268107,96303768.25619732,190225621.5619764,104444814.5783583,180055161.53237,89115642.04003376,103362582.9485855,52797750.02258737,37147805.08028,39573068.39041048,42927584.81213857,44620458.92924014,54384723.74385982,50858540.55191482,46841667.66343346,63447583.90994927,63988735.8975719,63077925.59323066,70636069.6547566,70308657.86185682,65222297.38332964]
["Com_908_pos","L-Alanyl-L-proline","--","C8 H14 N2 O3",186.10042,1.405,187.10777,"--","--","HMDB0028695","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",38750304.50570821,53865858.75199218,50287655.99228271,34555416.42180859,39877249.67631191,46853548.57326883,43786914.05308274,28054903.09319945,36430530.04136121,220756696.5824395,64820084.57068943,119290614.3177846,141267118.506852,59871168.4222555,72267613.67629738,79257505.64633921,84574856.36646426,31723881.39513108,31724320.57587816,114872921.5664212,136618009.7150325,234464715.8831628,171079214.0277632,121752512.386536,137864695.5671905,128363447.3435754,143406826.3161888,255727548.7319572,139673679.809306,103391645.9283572,120420354.864827,92967885.95746432,56354377.09053236,67672022.19223292,319486809.7576705,70078554.48338218,264947237.5207267,48520352.22770115,57095792.12172461,270325937.5389755,143936899.2850687,30574820.504731,41516516.35729465,43344362.84161781,38781855.38741112,39763971.85362546,18830116.69217411,38237202.23722081,75389246.39260611,52944574.4863911,99095832.41402753,40428390.58097858,67834804.880986,49160259.65381067,52828748.61414418,47725658.40228623,64347925.64725183,55610013.07801476,51836416.7664466,54081425.4177063,50514538.19780982,50774014.90075977,54569740.49839743,58159974.92335364,59003939.25766392,55049585.67441496,48300324.15068433,55535203.74826338,54046402.81933301,53725032.9721982,50230514.11538264]
["Com_962_pos","N-Acetylsphingosine","--","C20 H39 N O3",341.29251,9.316,342.29977,"--","--","HMDB0247781","LMSP02010014","Lipids and lipid-like molecules","Sphingolipids","Ceramides","Sphingolipids [SP]","Ceramides [SP02]","N-acylsphingosines (ceramides) [SP0201]","Full match","Full match","No results","Lipids and lipid-like molecules","Sphingolipids","Ceramides","Ceramides",5692601.327657288,7791667.274724145,17824630.49392866,7843916.579761138,29612565.41484523,11366465.40016913,32450523.88339271,7676014.613405098,29283364.58045897,12241313.54576445,23144075.08208974,15112617.84304367,9644709.490115808,16766150.46466633,40910908.17536548,16585888.54175689,21828170.67457198,20709017.81458469,32317367.44163728,43945288.30232633,16149209.79999644,48796114.5089348,68295264.45293252,15595513.86190815,25954663.42970242,33615272.74976064,59818657.46004804,39923295.99228604,29895674.60952821,49758604.82125472,44610226.12235565,38539276.84881663,28406279.91362952,73163026.26321258,166594632.729247,23401073.13114616,258761329.3146825,35548586.78057806,10630189.20817066,18067112.00922892,53869762.48432125,13557515.82100682,4968755.420392182,29076448.27178978,10653472.23601622,48401362.16984148,5442820.765923011,7876043.199753129,27081032.8388399,16058137.97803567,74956992.0323275,27978845.85855663,21285227.15503569,10212945.91215748,8691011.463247232,21504183.28825569,71696773.572241,5327379.599123812,27034614.4336342,25780239.92641795,27359459.68953497,24355004.10554202,23605037.77195879,23302632.84240119,22459562.36428663,19693548.9811006,25445159.01715831,23061517.24300984,23890233.95463153,24098267.46286269,22184996.19391077]
["Com_1074_pos","N-Acetylornithine","N-Acetylornithine; N2-Acetyl-L-ornithine","C7 H14 N2 O3",174.1004,1.398,175.1077,"cpd:C00437","map00220  Arginine biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids","HMDB0240589","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",24830556.74911431,35865732.70549967,50345346.57147874,22618942.42574486,21204781.54427676,52075519.02003743,28342405.66883085,28221946.70417115,24877183.36954724,72108071.1206411,57531644.47597136,64850441.43572252,23175272.88812322,17643406.09084559,16457413.50772748,26509425.50059849,75258385.38406375,24812054.60581996,38878283.8682645,40590328.74370386,51336126.41216419,116153044.0468566,15955576.18957756,106160792.5972043,24769166.05368736,76379657.7808288,15315709.78484221,227241071.4849525,130750625.3309271,54792844.59146421,55027256.10568091,35795089.77949443,25783689.92391023,22971978.79198391,62574108.03513131,27671414.10965453,118207802.2654205,27887409.83302504,32980292.40542101,136919038.9251241,82473399.75774282,29732352.23903055,19476955.12020075,30615271.86752051,24499225.69545264,25013720.31415255,18135368.93786256,21129773.10053277,33721201.16960686,31747907.67032984,23842005.12052509,17736758.89003075,22523979.39435493,15611339.23564138,27430857.66431061,17649305.4619651,22035182.27448386,36826939.77033992,27324521.5117763,29633991.36162108,28410809.90869579,32324972.51977887,32643511.68642601,32134166.72436869,30499180.02802176,29879101.95506125,29334600.53584904,32681507.6156678,33293520.90754611,29286855.90169358,31668727.7485371]
["Com_1311_pos","Indole","Indole; 2,3-Benzopyrrole","C8 H7 N",117.05776,6.037,118.06507,"cpd:C00463","map00380  Tryptophan metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map01100  Metabolic pathways;map04974  Protein digestion and absorption","HMDB0000738","--","Organoheterocyclic compounds","Indoles and derivatives","Indoles","--","--","--","Full match","Full match","No results","Organoheterocyclic compounds","Indoles and derivatives","Indoles","Indoles",1763263.055413284,16129349.04748858,102519670.773776,41614282.77614319,5768829.909438795,249386739.4006176,10455377.49440689,426616.1611736213,6765676.389944708,49598842.93259396,62758064.58170506,50575525.08264463,961925.684798092,1376100.193392691,2453052.532654302,20033613.03782795,131140466.5361004,49967796.96942355,43700015.46145738,48647862.8462484,32005653.47560965,52392314.54412662,2176576.226636351,56469531.62539261,30808951.23702242,145358886.4514745,1394878.913733946,38695186.06910594,37634354.31717719,30707263.33401271,9571997.960389225,10875072.31617898,6745645.562357031,10158294.55806861,19867599.674538,8881748.145974185,85693745.80466351,26145499.10038986,15590718.23691447,21914997.53336166,48984133.82521188,21086229.90569065,4205342.144743113,33259116.42275412,13530401.68337035,1982477.374731696,2427819.067799734,778280.4695967386,9121368.285951275,3883419.534150436,6081782.730465663,681064.3232463773,5248725.758283491,364220.2903047456,4678429.364574014,2616187.971924251,23767987.32742063,513954.3111780122,10861132.4396238,9381881.70541616,9119715.65957595,10485406.1187747,10221001.94194072,11235032.46414087,8058001.496340215,7865214.12329614,12166034.35843067,11676376.3242176,13041945.88863634,11638246.91404807,11565022.23330021]
["Com_1350_pos","L-Saccharopine","N6-(L-1,3-Dicarboxypropyl)-L-lysine; Saccharopine; L-Saccharopine; N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid","C11 H20 N2 O6",276.13192,1.32,277.13922,"cpd:C00449","map00310  Lysine degradation;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0000279","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",3439600.759048688,3393107.709927096,13357913.03127053,5702651.062730995,3856520.849486284,6979445.476160392,3466519.745650437,4152285.179638619,5837538.812524931,5856987.239075282,12444069.02858238,12183782.98344025,2173996.323560522,3475425.643951298,3171332.526300215,3190465.130681358,9886137.866688894,3757313.156671959,3515729.255544822,30367193.47614985,29067057.7416126,134032375.9257758,3908066.469721007,88768015.5077853,16747617.74314293,21710307.15774371,6050329.392182522,180201973.922437,68824988.68933529,43014932.20469623,50738995.10528804,18969151.50686004,4277767.741089799,3418660.459496756,54130855.55277088,5092860.09698996,55289029.06530097,5253533.709863189,5658057.920514328,90547920.3978513,10135132.90354209,5370306.02718809,3373617.648254839,14066925.49887539,3659915.414016699,4811210.079389105,6011568.984052263,3718099.486613702,3757911.645612129,5548124.907290143,3399064.362035478,3770641.103611275,3070415.320104051,3709225.048204735,3467484.977968629,3825661.286698688,3848408.101563121,4061412.535145303,10800018.4589432,13901798.37938877,13534537.19362587,13953039.57684376,12700137.50506634,11399689.12225181,12531056.90106798,13511811.06600191,11455808.29179912,10152051.94997642,11085762.72892183,11167143.55689808,11496259.7855138]
["Com_1675_pos","D-Cysteine","D-Cysteine; D-Amino-3-mercaptopropionic acid","C3 H7 N O2 S",121.0196,1.356,122.02684,"cpd:C00793","map00270  Cysteine and methionine metabolism","HMDB0003417","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Cysteine and derivatives",2543439.999755841,2870661.136079496,2094397.606841701,1348636.606165894,2405340.634692382,1132477.503322132,3085553.041688411,3014682.285078037,2068136.829964328,3055832.307681211,1265794.016028977,1248713.961052985,1387443.006345131,2034614.367792841,1806884.906201454,2105408.246408998,1748231.227085851,2058869.315490719,1858757.991728244,1386640.849175351,1639894.185434502,1360083.212778066,1981322.017942773,1694094.857417672,1206479.155526343,1471784.843952404,1578838.040535621,1249991.058526028,1406607.697596176,1296788.162070902,1427228.688693648,2331251.951161234,2452365.114694028,2112226.215581567,1513011.503907076,2103763.22405239,1806384.278567054,2483850.947769228,2337903.727193058,1517337.218867587,1154969.294568011,2201532.958947465,2130251.389674874,2021610.123753718,2161433.838268349,3217992.709711107,2233759.760988678,2814653.631556315,2674832.879430257,2217030.289324346,2531326.670249486,2511360.748769625,1894947.06054306,2651527.657476586,2564470.029413532,2480020.637973936,2321137.037417991,3273309.159841049,1377050.59645515,2117403.401484667,1371646.419890021,1430300.266782224,1637539.450902652,1556241.27004574,1655075.543603023,1414729.492468534,1445286.730206373,1314889.258482724,1657304.85133778,1335838.431560603,1438118.12532159]
["Com_1893_pos","α-Aspartylphenylalanine","--","C13 H16 N2 O5",280.10614,5.178,281.11334,"--","--","HMDB0000706","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",55982549.85373965,17003447.39898615,18007477.43628472,28969585.52907035,12895497.40492347,22584080.33592354,24400078.304885,96854721.22140624,20321528.68160204,66008465.43069306,15420630.70566998,19632014.48848402,108946171.1705797,30208127.23801628,22012636.07724262,25743174.66295993,29323201.86531908,28030386.23828183,21447602.62386728,12804855.76781273,19822018.47435017,15485993.1959355,30911736.98998593,12401144.08195942,17897954.62249852,28556077.13455335,29436814.1035997,15659419.94968814,12475917.19259225,12476739.9567429,17760742.21770194,20116697.10403525,32489355.95428743,18317063.96646099,14783025.70032129,38803526.00827973,18669432.37141564,17163591.81514064,40491832.69669499,12837927.72427153,13304114.9530573,19831006.80774508,61829194.72992171,29662131.26195149,34237924.9314054,19033066.64179428,42827897.98271225,66165624.7441488,78734819.00448567,51687648.61135539,42738839.97615939,75412503.91286384,26505479.99043841,56913810.69138233,33516460.63734851,40317591.33649032,44498499.56360296,47839427.91683658,5819849.24459824,6548691.952799236,6292149.033673246,5708402.213535111,6619022.17836584,6012476.169688162,5737374.447342232,5580063.08628667,6350213.174572716,5262627.184984417,5693530.038513592,6385781.652174473,6116545.932737791]
["Com_1944_pos","Pyridoxamine","Pyridoxamine; PM","C8 H12 N2 O2",168.0901,1.293,169.09758,"cpd:C00534","map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0001431","--","Organoheterocyclic compounds","Pyridines and derivatives","Pyridoxamines","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Pyridoxamines","Pyridoxamine 5'-phosphates",8202377.852094202,9764211.233035052,49458539.34394334,10124939.0689866,8150208.881893468,49031967.30313393,9166982.003847737,8378463.116051624,8415736.21015036,16843023.55964122,44574871.43755195,93457342.051531,5856659.729652368,7706898.870163316,7260291.114657315,8365569.116144083,56091113.29803688,16932607.59854498,25488092.6725248,18626519.79248239,25473913.62907297,108615232.9369552,7514030.872906013,36124887.61760988,12116504.44682848,95329353.2404972,11123455.62557218,77901448.47495005,50154991.39044882,34534369.14453334,32144778.54442849,6648083.506226207,10314657.14836846,12255460.92279941,23313785.65160542,12490614.85821032,24973279.09282187,11765049.88225174,13420872.53790795,76267045.1781719,82224100.39605492,17929545.64859535,8677098.290936232,46951280.11581559,9726932.852941765,13200340.33993592,13179755.6471923,8488035.052759618,13521932.43660297,17315188.88002972,11818864.77845389,9184609.04940844,7470053.905217306,11190142.76913527,13393280.18202953,10628601.56123899,9367343.040090866,9127544.12295664,10387502.6747186,16354067.16658869,19122238.58658635,10752935.26867943,10997148.56821052,10619718.62171953,10631439.80703817,12214673.41819332,13263314.66511609,14061147.46141859,17781919.67931332,16241351.71308074,16201032.72464634]
["Com_2399_pos","Sebacic acid","Sebacic acid; Decanedioic acid","C10 H18 O4",202.12036,6.006,203.12773,"cpd:C08277","--","HMDB0000792","LMFA01170006","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",3922888.228697858,65351400.92350865,41570346.01779269,37226935.14902199,11120036.937183,92184891.688007,32926272.9465858,2417777.509719256,29706773.73206688,22661733.12078406,32194181.51027575,66152643.53546982,4640880.466441487,1445097.100236885,1258138.987079112,9932389.21758612,32860581.11382487,36421967.70262755,68835057.14053564,12798486.54973304,10156519.3367147,5054301.881856074,2265398.527340262,21289334.69344036,3873979.625631055,82965452.45633744,3683498.951627801,6695422.390772482,27852722.57734616,22584271.55847923,14077975.60102206,12283138.36551351,5002098.314009937,3955358.734449667,26257461.85806336,4659626.420362472,15158514.17570968,3406734.162218581,5057822.694546962,9225102.137723671,66305761.25807065,14302868.88703091,11090821.10679592,30861383.00792849,29504669.7041881,2682356.742846487,28541413.12604872,3005003.002034796,10456303.71480578,19349108.08488737,14033041.15185327,3294716.195829267,18454613.60902438,2187867.118544769,5846028.776817126,2688041.815658423,40936412.1405187,3181663.523920986,13921178.4516182,13780307.27298934,11684854.36362234,12369951.54340786,16223240.31739868,12085958.17194892,13362195.4676525,13052499.77676419,14105571.15667428,12305849.3421407,14799955.37560554,13047688.80742614,12097240.04139568]
["Com_2633_pos","1-Palmitoylglycerol","--","C19 H38 O4",330.27625,9.981,331.2836,"--","--","HMDB0245964","--","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","1-monoacylglycerols",11989791.71842674,8184930.225249925,116352423.8762474,669965.6091877957,6177620.94790561,959954.5364204076,23904518.60027538,13397652.74901976,6884244.36790594,20334955.63774644,12428514.34099425,11595191.79186901,23115027.55182669,3366351.996484516,8482689.986507334,1028494.696304652,862102.7677049899,869052.5873370526,5538122.460003008,4996346.148850522,938656.842736286,1165507.125021865,602199.5959418715,4277190.321987587,29589520.72348838,455698.0475314033,3594250.571077605,473437.26985948,978732.6192424442,764916.4559486702,709130.026860901,1482806.510969024,5276560.291617549,48180047.84173485,640747.6038956225,7370248.652249965,710348.4933685985,1178694.012545384,2035635.547588746,391027.3215068334,747452.4205320133,1159968.121775929,7892694.862131435,1006761.712019715,41672463.22892869,1917508.807091392,11383782.44664347,5216339.379720015,5506852.994889674,7863419.404465984,4399763.525227385,9995795.019360485,22837737.47540971,4906504.65750925,4580624.970843801,5071637.983171435,11828259.83718124,5161285.477663973,5085177.5654106,4842424.211405338,3932561.364626102,6280657.546657338,5042059.042964854,4481069.997733292,3569800.275365963,4977558.710424867,3450267.972269356,4790804.383709276,3108297.511032258,4469527.855807003,3053237.032836208]
["Com_3249_pos","α-Methylhistamine","--","C6 H11 N3",125.09529,1.205,126.10258,"--","--","HMDB0243669","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","Aralkylamines",1234377.843177426,1218496.534753251,7793141.031326605,1232649.807867518,1137230.938284731,2815633.229492546,1301724.596771017,1327658.583216859,1028842.733413644,2693096.765568294,4449751.017640805,4963925.610806121,557624.1268535892,475478.348403709,420339.5161364875,1118918.035929183,3885591.410222181,1040618.98400931,1314951.300040468,6888611.926272037,9813570.838396585,17459854.02056374,3207411.109734688,12862081.02564454,11254028.03445536,2575681.62446879,2419428.638258792,39620035.10822161,9566291.028931107,9582497.316174692,6931056.295111629,3697935.872958458,1079837.867624316,1262995.474202875,24260705.48614212,1900803.101685972,35138718.93053505,2024071.716214198,2571020.511218918,71724863.33630426,4806669.094181117,1824963.213334838,1742027.821331894,2453312.064034068,2027570.764956277,1680223.391840942,2464288.717678396,997911.4259001578,1202680.109178942,2669935.356142493,1791812.488262206,645566.9785093893,712553.9600390742,907553.8468761796,2265272.427533163,632391.5838239249,581104.5720189887,1187927.937867625,2081554.11850431,2072522.428456096,2029834.298257815,2474548.192288116,2702621.017100879,1904863.543195436,2289918.010561855,2070317.898709323,2031058.929061973,2062551.583032913,2088647.289475824,2391509.460141214,2148850.972031177]
["Com_3377_pos","N-α-L-Acetyl-arginine","--","C8 H16 N4 O3",216.12218,1.402,217.12941,"--","--","HMDB0004620","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",32099105.11416877,20139292.9031534,17172471.69472421,13020772.58121768,8391027.514176713,13857386.92312156,5981937.606508561,13631118.73259696,6325185.453912988,12034465.94440355,21040234.26104772,18421769.39791502,10103194.99177541,3486003.63200406,3321739.213148653,11237884.26570312,13940696.58807145,11126757.83617612,21606692.66600412,18400591.7233819,6724240.824270494,51698136.31837476,9904052.668688169,25109668.15059272,16065589.10167771,26903334.71686772,10872283.12263758,27898571.69402947,29411910.11658891,26013637.18734159,29581319.66140968,25477336.82315961,15617611.54015308,11467987.37014002,11835826.97829581,6810817.877472231,10238571.96579014,9003243.905963147,10166307.29476717,40196182.74073774,44754200.56261569,17792621.3126431,10166210.53510072,6661021.840880595,11585551.02476654,9091311.803211408,42848485.79779821,6794432.191725706,5617748.199775723,23133072.57717172,4858768.135391035,3806687.658548779,11877890.15042473,5313628.283149976,6789686.28299259,12362501.29790924,7535944.256790136,176957919.3646074,6387625.00126321,8190606.459550775,7853549.822255742,8123966.323767086,8066059.545057284,8261739.542765397,7439040.098957034,8214485.800597559,7109464.28262522,8329153.921551066,7212684.118864902,9945787.26359788,9714653.002098167]
["Com_4016_pos","2-Amino-1,3,4-octadecanetriol","--","C18 H39 N O3",317.29251,6.839,318.29977,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","1,3-aminoalcohols",2512415.972892045,6233395.810305886,26773289.57778907,1566889.357373938,2703445.151400425,8532589.06228903,21416713.29723993,2387596.667452389,12299625.53616132,17180456.03878364,36880777.91132697,15259260.40178463,179438.4184601109,229631.8915008644,217092.3177441428,2662208.12267501,42344651.71016175,9347616.139538703,43421991.08179048,16118990.89819351,13060274.60621374,44640642.77432097,7721508.474887899,5583625.114602051,12649547.78625441,12336710.26517538,604322.8868350895,35589173.02572957,38572107.98833603,13474190.97947572,27375984.45817142,18200856.44295935,1707106.890567041,816162.6944038729,72920728.25775693,568492.7887321447,43602661.651598,4709603.687795617,779187.6819824475,27414633.48771974,21330853.44785172,15685531.26059784,468051.4921711229,16386269.65609487,15409256.86674919,645723.9647131494,2553044.938022544,699330.2743582967,895992.8335233828,8580989.863887621,904391.1826184936,157214.4219225093,962010.4908732744,439457.4263591013,2175271.817944341,1634912.478732458,336283.7486566169,2548208.939897914,11071528.1619469,9971920.447375389,8480236.5189693,11204887.10754302,11784262.40734129,8201694.185697039,8789170.648073748,10802826.62311263,9671343.33189723,8601309.948433386,12368097.17707897,8491573.882582845,10388873.53799354]
["Com_4207_pos","(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid","--","C11 H12 O4",208.07364,5.409,209.08083,"--","--","HMDB0034315","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","Full match","Full match","Full match",{"$nulls":4},1223844.18215887,1910497.495912211,51200936.72358399,10710117.71879551,1669935.294282186,27145916.00981338,6932106.605572053,1055557.513566793,8944697.929028759,9333198.98005457,40054802.0483897,53488832.01828182,1112060.670630528,1057543.805832234,884828.2880261932,4513418.312341712,38554376.52039708,3932184.014483129,9666581.784537314,14938986.22086935,16480694.03492337,34846279.62852695,2858506.523243397,21092229.49240329,8086997.970019347,38306251.15312399,2748030.01172002,42643821.1827803,27905252.34398922,21714263.53468612,22817303.25337316,9219329.49341982,1778336.448530071,1155191.231705855,21618759.07055631,1708549.088655956,18503150.86865938,3212851.542345398,1711261.798928627,23360074.27543481,47918444.11843909,11799130.29466202,1406556.767106362,20657558.5660473,2938742.235374149,876755.7648987552,1943387.019662955,1205022.1338829,1129298.442300366,3384323.621775878,1844443.40671912,776019.8793536433,4916978.313351913,879592.4570949624,1555264.75103107,1440788.937528826,3826224.116801719,1927069.280503302,6672218.31193488,6673264.324586881,6632372.125071922,5390573.29566922,6454085.467498354,6654519.725651207,6027839.965380987,6012823.127016534,6933256.702555043,6793748.593136131,7975850.473484444,6343800.652328814,6567769.969126117]
["Com_4297_pos","Isophorone","Isophorone; 1,1,3-Trimethyl-3-cyclohexene-5-one","C9 H14 O",138.10439,5.871,139.11168,"cpd:C14743","--","HMDB0031195","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Cyclohexenones",12402652.23078876,13851077.06655216,22053698.27717393,15061120.41317976,13066874.03268879,32643267.81617191,23796835.46840083,17637021.9498298,12050446.90646092,12063223.85807743,21987802.78864088,52192150.70352875,13923112.37639288,7846607.01740506,8626707.574196352,13402621.52523396,17656191.89991227,13088409.99548317,25117369.8726388,18019071.53636545,13592648.97753121,11069106.47283366,6748571.882001345,20269493.67311444,7756037.991366219,30517286.48158646,9067545.264101548,14424223.5232815,14701887.33676486,13476430.75457306,11761770.80851926,12627094.41766318,11380546.54884769,18493907.50282342,13888088.87704225,11378563.74479454,14444734.88133244,9078708.727748783,10888965.29934578,12957153.80901636,23758213.6152369,12916232.73654064,18700394.56586695,30610554.41329472,15966216.64718942,16229135.90772745,24804503.30279003,14788895.50581716,14501903.44096524,15653118.72926584,11647027.76357966,16130942.14674081,25077999.8598328,9964269.333431004,15765454.47756234,13675541.5325121,14972927.70128226,20259850.75250598,9073131.75834176,8908089.641391652,6698030.553887783,4102593.799322415,8227339.329985208,7337793.718713967,8120761.913367124,8742180.398409875,9330007.141234636,8130287.184861022,10780128.02301747,7516294.935992385,10166360.2295988]
["Com_4512_pos","Prostaglandin B1","Prostaglandin B1; PGB1","C20 H32 O4",336.2295,6.494,337.23679,"cpd:C00959","--","HMDB0002982","LMFA03010131","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Prostaglandins [FA0301]","Full match","Full match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",26997493.93145915,21264762.1218823,13755583.64863968,24095154.33239697,19060930.54164016,10466305.91481398,18881372.88705986,22046100.29503405,25007865.95251944,18195400.1296607,20297697.80165002,27707685.0134097,26331133.24808568,24853452.72757889,22651785.67021315,15424861.43909144,20391435.36437256,28784549.45197484,28634263.204854,18184232.92463544,23021475.6920529,6473713.141572255,19526837.92273912,15107252.05928621,11003126.46593809,39167454.43578697,31032083.2680863,5992474.394515363,19732579.32451322,16329919.69677004,6371770.237984937,17251986.08377398,17313056.79792393,11389778.90346728,18839060.16541264,13057606.45725007,12011216.85612294,13212620.90975887,10535078.54474682,17193015.18262486,17577636.70681063,27275979.87973783,21984727.58427994,19418376.87164879,18429657.78482437,18700712.97821458,18939739.5561193,22859376.15515476,13341436.94878014,15764554.42606653,20802825.45594152,20081155.69217078,45926313.10498762,24355090.60533962,5208280.50772594,30305717.32934014,23427960.87308104,22855686.7012352,14846278.5955234,9477316.55065223,15641915.61236458,8654993.638909603,14853876.58387664,11627753.43629462,9227031.96630705,9887527.551469969,11090127.39888768,13957535.0366955,15792054.06298551,11168329.94233642,12818897.63499834]
["Com_4811_pos","Dehydroepiandrosterone (DHEA)","--","C19 H28 O2",288.20773,5.97,289.21533,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",1448820.257125919,6925830.786821018,33994091.75836594,21849855.97804017,1382282.06093182,22191934.21608119,13565886.37510072,1196890.266367224,14255640.31115144,8654129.326685369,33511972.75013863,40341604.76882234,1065328.383191883,896407.5505230948,877564.6896839014,3243176.359184161,28517351.31813345,4919876.576950308,22249534.70208197,11212162.47683375,19426925.82999592,20776397.47569638,3399689.728259236,23752961.92930894,7882608.526475439,35908054.60035314,3498431.963431431,38451990.55372094,24206597.69729955,18578166.35928063,10671864.30950271,8239668.848622572,1567988.668572195,1225167.715267519,12049496.19547427,1602822.21675648,12218405.36223304,2383957.513767459,1527927.87910912,22138301.05930223,35022496.89630853,12262070.88371603,1467470.142895981,31397811.56978419,5680380.940496573,1158373.315060587,4275619.16856434,921021.125735327,1643481.58105729,6682345.628126957,1939446.852011785,904543.809774126,4931811.431263142,625665.1296117237,1668947.096630124,913617.2251059458,3401440.603290124,2553815.513371762,6357979.65315556,5196970.420541366,3508683.412944145,5864072.963820994,6129384.724174503,5722735.584791231,6324077.368358272,5274444.24758516,7569995.539674972,6739968.085136036,6669537.005620533,5741068.797453929,8496270.752828885]
["Com_5550_pos","(-)-Caryophyllene oxide","--","C15 H24 O",220.18258,6.986,221.18994,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",358105.7420602142,656310.5103736395,1355810.519670804,1353153.485807268,572686.5285550539,3132122.223147327,939388.1426304828,426240.5282349073,507910.1496153901,646971.0428935689,2088344.512185715,7940609.919116158,471633.1087544478,479108.3158157989,468181.0739765787,361181.7170355573,3542690.149088308,4502431.422232701,7201832.510895322,1281994.107671709,3024867.923074483,4266436.825215307,685517.7410311862,5631761.976933029,357849.0532613245,29980739.94783901,484075.2147950534,8962430.98522189,2897332.62426422,3093863.404514297,4684123.991568354,1450382.42316715,621703.6488288118,1428258.287390793,12366933.80420358,773914.1111541581,9411268.172230516,5539996.088539648,1386488.116835887,5390679.293829438,6179543.617854767,658413.5561366209,4235447.931445115,11714361.15263207,588708.7870870249,386844.4337025205,606558.5594351796,475116.3506730384,946338.03072121,3782862.28099573,647189.3871955039,655747.1151427515,347743.3559729855,765502.4027166726,1083812.955072757,732929.0457678881,1082334.537650192,506035.734413812,1612348.44798965,1954625.105101877,1665525.401228143,1862834.348328642,1459810.629704399,2816068.8705686,1771545.910308837,1707647.125676111,1941103.609118638,2383036.365372693,2299127.898791698,1832157.036065412,3014840.8738153]
["Com_6566_pos","2'-O-Methyladenosine","--","C11 H15 N5 O4",281.11218,4.843,282.11942,"--","--","HMDB0004326","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","-","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",1690769.264944664,1400102.083571148,1601999.456455431,1976904.218905783,1542368.150935142,2303355.673073791,1235579.933390609,1382010.360188013,1374500.779335058,1100399.825410186,821862.8574782066,1520829.502227087,1374764.728347029,1904197.272496545,1792054.089563429,1522821.840129467,2427405.588958789,1659700.950892106,1186891.405027775,1377719.596723749,1266363.613014032,1332874.457866462,1676071.799567476,1319841.418565544,1456406.11924945,1658836.426831514,1641704.79197161,958712.8589419574,1195332.46364743,1394596.866424761,1717704.697916495,1581845.510337095,1395093.227160269,1531960.607815203,839992.4340647507,1579237.473780519,887013.508012634,1702964.346555335,1819371.789600405,797425.6930841381,1765181.034276842,1198964.288225255,1556810.73264419,994312.8985410428,1308948.644623744,1275241.116072932,1205756.442369645,1494921.741877549,1384204.836803566,2039851.9753803,1825939.27509617,1513511.363409391,1322803.380161968,1509884.433380659,1073508.789298409,1559535.841014234,1377425.092387134,1053265.294950455,4281948.74492925,3746881.814967906,3617965.67584727,4138239.172442575,3652501.243093353,3950986.665273481,4957404.894996357,4156544.412235984,4557252.122596146,3896042.795534502,4217875.865093509,4091885.507226589,4911474.379543696]
["Com_6870_pos","DL-2-(acetylamino)-3-phenylpropanoic acid","--","C11 H13 N O3",207.08951,5.639,208.0968,"--","--","--","--","--","--","--","--","--","--","Full match","Full match","Full match",{"$nulls":4},4273298.606054466,4346390.243495497,5663870.167779082,3438351.3374466,7264973.95125704,5881683.668127234,3207670.123334932,8198031.216960874,3938701.100123016,18358104.3523492,7666101.398221691,9394493.64117285,9991183.744068284,11368736.92168617,18650873.81503632,2443919.929468646,7644109.108244432,10463213.46556317,12953717.83573835,13409609.18060477,11458004.84020623,16424384.83932775,2413766.260613183,26445945.10922402,5318236.162996658,15539735.43857769,739427.3210818225,9995183.168544993,19839287.97347914,19774834.49726506,25882914.59459381,12031507.98788589,9021797.296637775,9794229.53895036,15302548.46965954,8956213.620374665,26967251.05174061,10254395.44245943,8393218.571576575,26910620.59471999,5575965.519490043,4772855.726496027,5388394.394951599,7086340.970524298,5498258.182816112,8563238.269224048,2959937.902965378,6265801.870203082,6821080.878008515,6235849.295896263,10897302.4111083,9488868.821037214,20962047.9243757,20294172.44604649,5981934.13382407,8247289.585158954,12885189.79111351,5250426.133287002,7851860.88543672,7292218.468635878,6507043.998606124,7457665.041935469,6932273.605885978,6553826.183666375,6063817.566157836,5852564.481252649,7873716.070261834,6219571.768562453,7199900.793855197,8909790.08744202,7678872.279085649]
["Com_7069_pos","5'-S-Methyl-5'-thioadenosine","--","C11 H15 N5 O3 S",297.08973,5.103,298.09717,"--","--","HMDB0001173","--","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","5'-deoxy-5'-thionucleosides",10005161.60074114,663855.816686691,948725.5094618764,451249.3784372541,603251.1754268919,303446.8361788544,1445848.199162863,45282447.78959704,434820.6883392264,546316.0526693978,311588.704627574,322971.3129936097,4637678.709568344,6859180.550700331,15496095.19141469,1117803.889154299,379644.3545861292,551981.1152997331,349822.8188784574,607815.8444159939,679250.938054907,818552.7934263827,1823857.478567962,366264.2604546545,557450.1116907815,697760.0434732288,873054.7047201019,5103480.671815715,569882.6661726708,1171480.211394278,704411.5569045553,631589.9262356114,5941120.908453056,2213710.293977244,2720290.465999987,2286383.005524204,583954.2732729152,2546164.254680112,4507139.893634669,1226630.729387987,322580.1600367732,368544.3026115857,1667960.034678151,411864.3165487058,910556.8694223188,8554433.13258238,2942532.679534564,17744407.83169853,7015715.044665636,1630880.171531597,4735081.212076931,20162822.77005676,378490.5954686848,21558921.91211656,17866037.09999159,10884729.18030236,25201257.30806308,49061219.89764173,2422128.03838787,2321357.46828989,2055414.71529259,3384831.19188134,2399970.245006937,2620732.403223148,2852295.77858771,2532404.614978081,2791687.67630887,2861566.933117122,2590449.230267947,2974142.31065944,2899264.074570361]
["Com_9480_pos","Cytidine 5'-diphosphocholine","CDP-choline; Cytidine 5'-diphosphocholine; Citicoline","C14 H26 N4 O11 P2",488.10669,1.353,489.11395,"cpd:C00307","map00564  Glycerophospholipid metabolism;map01100  Metabolic pathways;map05231  Choline metabolism in cancer","HMDB0001413","--","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside diphosphates",2110238.533893282,1671754.02428152,1772086.32488104,3368287.973608276,1995660.402822347,10152880.76953107,1750053.539780077,2501218.320867742,1715889.516707136,2246836.106877439,1550779.824131399,2003280.443432861,1151132.205143943,1688076.636736682,1499134.30461993,1746812.824983269,3877401.234037098,1708200.455373862,1542172.309825888,1150466.672255392,1360585.624958181,1081513.11047828,1145377.851325496,1405554.779564855,1000990.314131697,1221108.8492776,1309928.629035745,1037091.222508448,1119179.263355215,1075917.792502033,1184141.546821808,1934190.584415826,1876031.463442593,1752469.550234214,1255313.739689174,1745447.984622838,1498718.944428474,1465645.030189799,1939709.422722425,1258902.694174903,1395399.432157723,1826565.471980084,1767424.657079852,1994015.723013335,1793296.077128861,2669900.692948108,1853303.37006223,2335258.765075254,2219252.435457623,1839423.280199228,2100188.35983747,2083623.055810048,1572197.617097176,2199916.584243401,1960943.912444849,2057620.826756516,1858733.000505256,9684358.441231566,2998084.86771188,3524032.296337365,2882693.771113104,4451671.268336933,2969333.782295205,2351613.158402303,1373181.277699009,4464088.617214107,2632656.035890157,3840630.92155231,2245281.482453289,2453852.786480079,3374920.856081589]
["Com_10452_pos","1-Phenyl-3-methyl-5-pyrazolone","--","C10 H10 N2 O",174.07935,4.932,175.08662,"--","--","HMDB0251697","--","Organoheterocyclic compounds","Azolines","Pyrazolines","--","--","--","Full match","Full match","No results",{"$nulls":4},2106398.756081661,1596004.574168386,1576867.84882767,1727699.625733293,1967004.455818354,2196035.230934945,2938143.920085807,1864978.449171252,1966520.112377275,4702607.769792968,1403124.20358241,3566885.599676132,11757072.61546985,1990319.719867658,1991089.488069283,1190774.064394686,2222070.341899686,1408268.262655083,1892534.28304678,2071090.252166686,1616584.39778149,2956698.882226988,2782748.669991089,1910949.064483557,1768302.615284615,2562507.094932963,3423513.279373566,2829682.271900163,2152810.737484509,1998294.102893242,2507443.116184369,1976845.97808338,3087781.836190274,9174289.943345588,2225528.163939646,3423159.558523692,2091413.781540804,1558834.485079809,3381590.233270376,2184787.807858992,2964559.81046418,2220792.15825377,3497840.42362659,2231152.24163549,1743759.807283478,4340233.172415952,4063556.999504103,3230819.71091131,3506518.257632134,1589659.995102786,1639557.436175286,7445509.601171931,4480179.967053436,2913368.547817724,3521769.672365027,3076811.947615935,1895256.227283002,2994953.450256588,1767041.9260721,1986741.450331163,2031224.044416885,2579907.959915827,2242158.451400038,1955049.169406624,2244038.556373988,1751549.269591791,2200387.930037694,2119544.916112744,2016329.137600732,2023689.864507675,2064420.360415448]
["Com_11093_pos","Monobutyl phthalate","--","C12 H14 O4",222.08893,6.265,223.09625,"--","--","HMDB0013247","--","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","--","--","--","Full match","Full match","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Benzoic acid esters",1897650.812908171,3063037.830699791,1076325.48543878,1416731.766157985,4224631.077111728,1277713.49886084,3098735.07630419,8576480.15503101,1810913.121997938,1022624.195206074,1028405.760119288,1392852.340179669,1257609.240518248,3738933.508082951,2364551.751956362,3869006.992123673,1061802.284554268,4903561.003105674,2453989.129890259,4908609.525610098,2778376.900880442,1873653.68284841,1244744.005210845,1317007.900037872,1374839.977348766,987971.0435826044,9301399.179791292,742969.7077412487,3131450.97560279,2942991.145055868,2651775.603617448,2473490.676370968,4263805.495903897,2612100.863244557,2187511.939152275,3185044.411350956,1249400.937629823,2900469.764969901,3287972.684015583,2749464.495226831,1615454.794990287,2425351.949233016,3304795.918860612,1840983.811785753,8476087.614370542,5540618.118461896,4051908.784813226,3602370.647501875,4251413.513275351,4528095.090253388,3802396.812770849,2428762.184315504,1564883.858282993,3125443.330636427,4698327.728626676,2910066.378522154,3193682.915761186,5802185.014870261,2288391.78277738,1861704.215595009,1525013.046204099,1001726.235191267,1474664.416235092,1403383.195691203,1905909.809288946,2508496.554362644,2563603.579257182,1781105.176554475,2385180.820336484,1902364.416181456,1838611.395375967]
["Com_13065_pos","11β-Hydroxyandrosterone","3alpha,11beta-Dihydroxy-5alpha-androstane-17-one; 11beta-Hydroxyandrosterone","C19 H30 O3",306.21908,5.961,307.22617,"cpd:C14606","--","HMDB0002984","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","--","--","--","Full match","Full match","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",416498.1718593283,3097168.714493241,11594972.94587725,2385683.216235576,2892471.777480759,2043865.141920615,4264815.371119456,744156.2460186749,4790232.54239234,909027.4164653542,5694984.851538699,6429623.43647072,341539.8826221261,1352824.316260258,1872805.690784143,818173.5541039122,529051.5177015844,1509496.804431438,9456008.901466211,681201.4167129938,6411166.622109425,833933.9925358519,1369693.974730922,6248293.999472585,652497.6397691141,4413208.010909966,406072.8349648829,4110371.906586028,1662132.800704883,889781.305154167,1725112.115990902,725082.4806817801,329998.2854275158,940022.0788002228,1754652.533235828,594303.7979300321,916296.3522504464,640449.4367038946,2147520.241729618,491340.2677875256,2516619.671330855,1628057.218591357,438044.6436975709,7617262.727639155,3148494.466879861,961189.130032512,856376.011054062,617357.0969106262,712115.0698887418,1757093.532036921,535781.5979534619,791368.0958009434,869387.4735899848,445693.0124956435,1166687.555924963,1247622.332979518,1505318.440210671,1297118.971555392,1126568.40157648,984015.2535270158,650276.0488818345,1366485.463982549,1413996.628074677,1083521.797202105,1030437.419323582,1256900.781646657,1607510.132150126,1513213.336450997,1161961.240280622,1109360.660979514,1756521.818432669]
["Com_2_pos","L-Phenylalanine","L-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid","C9 H11 N O2",165.07888,4.861,166.08618,"cpd:C00079","map00360  Phenylalanine metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids;map02010  ABC transporters;map04974  Protein digestion and absorption;map04978  Mineral absorption","HMDB0000159","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",17523398842.43025,14183430109.42604,5810372383.738279,13479591758.84183,15651402389.34607,3716521289.207862,12428499387.10746,13760757435.34275,13782091705.39571,11134328551.39392,6919713765.898532,7046642574.59768,19304716590.32963,24640919393.04536,23567402605.67045,12380190568.19865,6349021441.291894,19139923490.90695,14026292912.19131,15035489777.69259,12133152926.52114,14439945443.50724,21917268961.30543,13405366657.38792,19201353260.68378,8263618515.899299,20826664990.69953,8942609364.81716,12680805071.94079,15826811224.74667,17275271238.18316,17215672702.73018,18346776395.701,19922399812.00369,5789527714.349689,18811954933.71687,9413546267.918642,21845471920.8245,19354483228.80269,6997654543.129086,6771791896.186797,14180152720.80879,18840568190.40675,8142184525.254596,13827741955.91046,13770361610.10399,11236388757.44509,16553443050.91013,14424231263.69623,13569382472.82235,20997045206.95656,19207079331.61135,17930067265.51228,19085871717.58152,13281951445.0014,19806312337.1188,16806068018.43157,11670625234.98668,12370896513.3234,12353199552.39904,12170385682.6919,12722171680.80216,12281481610.15471,12559395475.1531,12084841893.55801,12010437454.61371,12642095477.50102,12576932267.91624,12584795533.74247,12011989958.99128,12236577610.01642]
["Com_14_pos","L-Tyrosine","L-Tyrosine; (S)-3-(p-Hydroxyphenyl)alanine; (S)-2-Amino-3-(p-hydroxyphenyl)propionic acid; Tyrosine","C9 H11 N O3",181.07372,2.352,182.08099,"cpd:C00082","map00130  Ubiquinone and other terpenoid-quinone biosynthesis;map00350  Tyrosine metabolism;map00360  Phenylalanine metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00730  Thiamine metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways","HMDB0000158","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",5980887714.430253,4589604618.268505,2577978311.172055,6549448985.963999,5691998878.032758,1547312953.557507,3266805291.794949,6267431772.574805,8376929000.307655,4920690907.160138,3610301057.231252,3543130214.424906,10957884567.45129,12027442825.03709,11372002067.21845,6014104986.148685,2706951643.760454,10780210889.47727,7208565267.903197,5010041054.120438,5471320923.077749,1461721271.52176,13704056280.67419,2969157216.096098,7791799556.23298,4305436262.2035,11078892809.75186,532698906.4331658,2137778114.437881,5885298288.941855,5826774868.145639,8800512649.588999,8956262159.313372,8988250944.468124,1708849946.652006,7937347129.705026,1308941157.510793,8284360853.685929,9090552209.158005,342830381.5178307,2611337634.676691,3958817763.967755,7329756863.801161,4251158806.940577,7851291261.739277,7435075531.866032,5876697866.761292,9675316141.39266,4433193796.772898,6082343841.757167,7520764386.864552,10083112835.51404,7374769722.535548,8440592311.796873,4011864695.85844,10515646567.20381,6268780249.430554,4569738234.039023,6828579811.84671,4858442273.874458,6522196943.325933,4694533446.853708,5051331094.506607,6717097131.655962,6022222103.233105,6239773590.452738,4924869298.292888,5760478846.922202,5562951790.294575,4975210424.905216,6504342660.430357]
["Com_39_pos","L-Glutamic acid","L-Glutamate; L-Glutamic acid; L-Glutaminic acid; Glutamate","C5 H9 N O4",147.05303,1.331,148.06033,"cpd:C00025","map00220  Arginine biosynthesis;map00250  Alanine, aspartate and glutamate metabolism;map00330  Arginine and proline metabolism;map00340  Histidine metabolism;map00430  Taurine and hypotaurine metabolism;map00480  Glutathione metabolism;map00524  Neomycin, kanamycin and gentamicin biosynthesis;map00630  Glyoxylate and dicarboxylate metabolism;map00650  Butanoate metabolism;map00860  Porphyrin and chlorophyll metabolism;map00910  Nitrogen metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways","HMDB0000148","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",5787775249.804757,7836701022.246327,5330972137.063256,4631732595.206221,5503773390.45302,2913500274.688576,6617580236.01155,7381926539.865737,4736426408.758172,3353754986.969897,3787535490.588067,3326976965.143129,4091527122.221809,6140598430.852138,5951076206.538629,6547699893.684052,4999620214.130651,4616295860.026128,6740493398.633888,4251288865.842156,2827042361.488852,1678058130.80266,4190333622.713262,3487715073.625402,5074538662.134698,1954844192.431333,4172418071.644392,1179991099.456907,2751791698.660408,3716565596.862512,3932508861.347456,4157758645.957709,4590085920.172615,5923384844.996711,2354392280.238494,5187305250.9196,1785783681.503855,4551282667.945835,5221406832.426216,1185240981.666101,4504315831.696636,5023933963.006824,5796919588.615877,5092944813.852741,5235316104.246898,6287854337.160954,4123021963.360917,5731838435.215414,6433131070.00389,8243094495.756128,6003705695.438701,4530398344.082089,5126025944.601297,5000941502.089882,7737100087.190491,5166223894.182232,6587971991.089937,8517685057.582741,4279467580.40347,4379990475.735158,4342194114.626904,4501710699.166249,4643434150.379318,4508337842.595858,4449995705.220885,4461198848.741918,4591510393.292656,4486976587.295218,4784983375.018082,4487752109.012996,4499212473.742504]
["Com_193_pos","Uracil","Uracil","C4 H4 N2 O2",112.02721,1.775,113.03451,"cpd:C00106","map00240  Pyrimidine metabolism;map00410  beta-Alanine metabolism;map00770  Pantothenate and CoA biosynthesis;map01100  Metabolic pathways","HMDB0000300","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",1278546318.250167,802632756.6339493,979366710.5806702,1420036042.412591,1705524195.031874,1090997668.518866,1121507159.617217,1382964738.551994,1455162289.401676,704902228.9254303,941828566.422577,919927219.3849616,757787235.0885794,1355132679.894682,1254462900.920122,1104326899.290641,1152229478.681503,1489754686.769624,1381601615.049877,1148606846.600543,1131618254.562543,454650099.850595,644208161.0470669,942952651.8453304,555977501.3962523,1342652624.399299,651083045.8717344,427440532.3988591,943483008.39567,759002848.9114981,937698865.7937112,1027492750.734858,1449562189.82531,1435493174.297343,730618613.5212224,1368483200.533571,765496277.891694,1631553390.55859,1706980958.951899,335401078.6142257,1951909732.448034,1378247071.918202,1392537689.420399,1188234046.40388,900673303.5588764,1430045010.324744,1697698243.866103,1682246455.321391,1530008960.841614,885822541.3944188,1220853169.570369,1497564842.622029,1364237067.746504,1794358841.913409,1097914089.059234,2007127878.313943,1378362946.797316,1347123046.987677,817459494.947244,914735197.9419252,652634683.388878,933388988.4809768,867841417.3199174,1324820549.994393,633212032.8621815,1150948565.972602,831073177.2324824,929870882.2854148,918171758.7555912,730991743.8342191,731549952.0198845]
["Com_329_pos","Xanthurenic acid","Xanthurenic acid; Xanthurenate","C10 H7 N O4",205.03767,5.384,206.04506,"cpd:C02470","map00380  Tryptophan metabolism","HMDB0000881","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",1147712.763808608,2117883.763603002,13257235.87662987,3689550.811050843,1775636.246211244,20071386.97937518,4600498.654955091,1037631.818620658,4375938.079519391,18916079.01124348,12294259.38998395,16760407.11399786,995098.3466292878,920915.8115215824,796975.3088505847,4643333.401398237,10983334.92124769,2214487.868101737,6969200.478039069,66892405.75803018,220410865.8644044,75292305.23540837,25837852.70471581,83078771.3792643,32357130.25555219,7248388.069219627,13981269.79448584,176785888.7588888,120373893.616802,101841852.7736495,272058790.6887563,128071210.8170396,4714300.589550531,29597442.82030826,1078965141.244077,25099184.23089346,936321993.4686816,20005411.28092432,22238259.79111646,546477251.4529092,10394895.02175203,9242635.174542507,881635.7322119843,12979475.97174221,10497091.77471905,762561.3145454784,2930040.873320545,2008404.598918548,1594191.733703553,2074684.738286019,1084185.648561284,702030.2202384379,3105805.436549587,839405.6956910649,2258640.807458736,986830.2494052724,935746.0386362094,5891868.542540962,29562065.7426912,31474363.49397862,21917764.33737822,29447656.4619274,28614381.41862652,29924239.85256043,26116000.05987575,28012093.64645653,29717420.77464638,29081435.74981006,30915686.70931984,27425183.4612504,32882138.53660485]
["Com_440_pos","N-Acetylneuraminic acid","N-Acetylneuraminate; N-Acetylneuraminic acid; 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid; Neu5Ac","C11 H19 N O9",309.10574,1.456,310.11307,"cpd:C00270","map00520  Amino sugar and nucleotide sugar metabolism;map01100  Metabolic pathways","HMDB0000230","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","N-acylneuraminic acids",383285120.0568333,325203905.0175148,331249394.5166207,482907798.2894037,270119762.7603596,239161317.7000878,374720208.6274498,376806867.6599417,225268523.1345807,361206197.6336777,257466464.7938473,400335906.2471979,96129150.5187457,142245683.464325,174733369.5199513,262082465.0778477,405940937.5761872,494348748.5493875,458564195.4914594,360885482.1508866,366182696.5032094,259371711.0796202,45142458.86474029,317744902.3450111,63980445.75541815,233728947.7456284,71912557.85215983,177908331.4397849,168741979.9655249,213060791.1281727,329868357.6422999,331830687.2615781,408463955.6515171,194420084.7682596,186103999.3810593,211128942.6569343,212169631.8592826,300418831.6803327,322994393.4816447,68256580.3417784,220748581.2615607,263474638.8153006,277372933.2011942,1013914081.128559,395778449.0411625,538018436.0117217,402633904.0862414,436602790.1740561,253876762.1759146,382057802.4574322,241677336.9590424,373718776.8813789,305384773.7059842,340142857.4064589,526890060.5197257,479562847.1899648,325328921.3734389,192323963.0479164,282342272.622642,274188290.323137,265893865.778583,336330651.8990688,275618357.3732044,282279662.5897066,268607456.6769896,274612491.3684132,262026913.4406026,232986436.6547252,321808843.990212,265420173.949118,313919505.5379785]
["Com_499_pos","Purine","Purine; Purine base","C5 H4 N4",120.04364,2.47,121.05093,"cpd:C15587","--","HMDB0001366","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Purines and purine derivatives",19303632.64371423,7352600.375148879,55835946.38156676,13044790.0939491,29154617.70188874,27043936.00764971,32866975.14081722,21768590.41405277,55949234.87640125,8416474.487733487,128314826.3499142,169840138.3609524,2414174.615644116,1909796.784601105,16035208.39283807,17744418.73972119,138252711.9061339,3784877.103315319,116155491.3899981,5460232.185703071,3930931.591413299,2805076.645757763,1196460.474082039,18553986.28998273,1098024.477616839,455613488.3415107,1147795.71688955,1739242.625532369,3700302.330800142,4847874.694000389,4085072.838751741,3623761.891097251,11293706.73106393,3104997.973044868,2166526.316988109,2955037.428908591,2571507.538007518,1630824.349501001,2465629.305706495,2221167.357792993,192737363.1219253,30970755.93702985,16018628.82089867,128921221.2965108,11465262.48697111,76368418.66551468,15920024.71093615,4088374.958443544,3415254.825963607,33169911.91370679,6731056.111000243,16460327.41647868,31305838.44995212,6764821.352410081,3490774.963739208,24066650.64831736,40024744.14730141,17201501.03983936,26594536.9302149,28096365.33337967,27991195.31496768,27754428.24011319,29105273.00485933,29303617.79818096,27816667.00625345,25732630.70447719,24399275.65273653,25675881.33906533,29008997.35383482,29543977.80880634,30468068.28487668]
["Com_947_pos","Adenosine 5'-monophosphate","AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate","C10 H14 N5 O7 P",347.06277,1.759,348.07007,"cpd:C00020","map00230  Purine metabolism;map01100  Metabolic pathways;map01523  Antifolate resistance;map04022  cGMP-PKG signaling pathway;map04024  cAMP signaling pathway;map04068  FoxO signaling pathway;map04150  mTOR signaling pathway;map04151  PI3K-Akt signaling pathway;map04152  AMPK signaling pathway;map04211  Longevity regulating pathway;map04740  Olfactory transduction;map04742  Taste transduction;map04923  Regulation of lipolysis in adipocytes;map04924  Renin secretion","HMDB0000045","--","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","--","--","--","Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside monophosphates",57314744.30314399,42174644.35228053,10846091.78086779,15338626.888584,117393458.6633788,1840263.160538815,31185277.09273608,60317035.65766177,37291231.61685501,23927783.2294979,2410788.098167205,1780489.434727978,30178598.88333008,28052456.85268204,39961634.94729055,43690794.81081896,5364441.568049461,55130102.16759727,33991195.15776817,2921738.399156589,2236107.604407777,1121934.467864219,11323858.2932825,3590517.595303988,2276511.514849852,2329659.959346905,42028249.07594632,641961.9995112397,654906.212988549,1228421.286147398,2649929.640666571,5704703.105407429,32645541.5172746,57497534.59127818,1414680.683860493,41171079.62155472,1207447.029552612,30575315.63906869,71248504.39910574,629326.5885899039,2119529.662863882,9910936.695245994,41208214.85001665,23373050.64409949,134581666.685609,152252928.1223224,61856077.17769823,119885844.0822147,68897620.77799758,90596514.62934488,123392858.4845097,113089519.4325876,191933813.6752499,162916870.2049564,127867973.4111,312439099.8109852,130969601.5752286,72532498.44417235,13529692.6726691,126460842.9339298,125815438.640426,123634388.6615992,119439008.9334881,126027285.4605053,108045486.0011032,97366729.94728065,96260853.36381157,93754761.42089172,96537986.04220118,89088802.34121405,88819271.5750341]
["Com_1278_pos","Isoferulic acid","Isoferulic acid","C10 H10 O4",194.05797,5.528,195.06534,"cpd:C10470","--","HMDB0000955","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","Full match","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",2162726.394587233,1701511.591930829,8912754.576619547,7291558.794326855,1431793.079819637,11015483.60564978,1387816.825164453,1300059.444476235,2144237.771073578,13190648.50342693,9553392.403432932,23396474.89230851,633464.2186329144,896695.5110294422,891067.847743332,1169536.733297438,19671131.60938573,1751172.493849578,2369379.621267491,45265969.23145539,34289787.65229151,73858082.69491266,1727912.721525876,30578821.80099413,5256113.477148548,4157281.378797569,4414815.917480663,43666169.55312935,82001780.23915377,49607755.25170159,70293743.08479722,48511759.59099717,10011629.36178721,3179722.508413913,241176301.276462,1543488.439664757,138151909.4801074,4407815.527055675,18068811.87526334,22519557.60028465,5961037.977205504,1916223.016483881,1202347.076644576,5181599.723822573,1596439.294500197,1133393.057261139,1552786.995567247,1147776.804453844,1775809.843214334,1938808.626710719,1458484.40630782,1121263.896943593,903622.9404926872,1157466.861877528,2467775.670867473,1030002.342726888,1626000.875169872,2298333.09839492,14477028.3876095,10722715.01578471,11809374.16992956,11058989.70136673,13431862.12178258,12948498.34895204,5566400.679664924,12172693.51563844,11215207.99693213,15785047.39606456,13428958.66428539,15186240.74079567,13433929.56657367]
["Com_2972_pos","N-Acetyl-L-leucine","N-Acetyl-L-leucine","C8 H15 N O3",173.1052,2.004,174.11249,"cpd:C02710","--","HMDB0011756","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Leucine and derivatives",6342564.413268963,7112273.884994522,33512514.59245728,14878538.28309821,5975831.157471829,45718212.63873969,9947331.84839716,5529097.432643333,16219866.22347206,14160818.38854089,43257452.89458873,65151822.32833925,2471113.080476851,2956590.011835402,3486221.594250638,7688023.269733854,65046128.15230501,9959213.65024958,22500340.41523613,25986122.47632515,28001208.1511488,58908013.81892656,7254737.567931355,35454015.27120015,16692664.17343332,65586480.69696365,9110147.757648822,65651054.80086922,37673119.84868716,24901443.04095531,33278766.31215315,20698250.79546225,6921510.813386389,5180427.319729323,30796432.15007552,4293204.057233244,25680840.19697935,9274801.31446184,8467707.569688998,47730189.35420168,64650712.06155101,24366714.93589452,8077206.194868498,49510059.60947203,8777307.143421516,3948527.201430953,8689114.008962313,5724511.413751361,5427642.224862538,8908425.464531554,6435920.183837883,4232495.099959803,10582791.42666472,3957727.460308281,5952722.705009135,6396519.216413249,10271897.64461275,5579453.396426549,11992019.8452201,11631764.27704378,12523015.91552016,12416172.57316212,10881677.25187534,12576957.84736377,13485836.7765297,13167315.84215692,12542014.61328345,13750162.20699944,13682478.89890898,12189376.31750527,11673400.59951191]
["Com_3273_pos","S-Lactoylglutathione","--","C13 H21 N3 O8 S",379.10421,2.242,380.11154,"--","--","HMDB0001066","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Oligopeptides",3109004.664767342,1200968.730913384,908749.5845198154,1201674.351529474,3051462.286370193,1018874.476369232,1127439.171526309,2414627.409846263,1211582.640537893,894462.9453222225,836467.1903367268,872527.9828291315,1061181.648803596,3610960.471504139,5702064.109421982,1257518.528311196,978618.7054867096,1233123.761890862,1127162.488646537,960059.8122505884,1072704.530468867,978272.7694697808,1469308.654707433,927417.8607929632,1100423.908649046,952024.9393383914,2059412.711720094,1216685.669741159,930790.6618408737,1123509.628618846,1083161.304902298,1204761.037296306,3182674.353865205,1740832.982343747,965803.9832323923,2401305.275106229,1367109.048717968,1220295.716491011,1296578.274057551,848293.6994888035,1023541.09392579,1010941.726635222,1735066.870156369,1198148.588884236,3938932.207174378,9440370.53825522,1820961.310554782,2636411.193124292,4840258.914711941,2830936.442240186,5288489.095309772,7237964.349027016,2084655.246112419,7407139.305249675,1945317.95775554,8670129.939897902,2026592.31078096,9122684.599955829,3712689.16653332,5190828.641049686,3952426.657063332,2270065.679182708,2564330.201710825,3004695.987425149,3616930.034750809,2659390.026431569,1794309.641718351,2846873.128448093,2578885.271106405,2536567.295454977,2724096.688154743]
["Com_6847_pos","N-Acetyl-L-tyrosine","--","C11 H13 N O4",223.08457,5.186,224.09184,"--","--","HMDB0000866","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",2017155.732714512,2316646.365182304,12351367.0456326,6288917.418897844,1897491.78573188,16338641.94419607,3905799.909961196,1876802.906090681,4895160.024448166,8508064.763959005,12800728.25745552,15837673.12716516,1937857.211707788,3018042.689470984,3397689.038712064,2238193.255113992,12722928.81362162,3364547.147761911,7201985.468225361,13383370.69554251,16420718.52717911,19821158.387389,1737093.946450621,16469751.36371537,4435683.136154526,19041164.61960173,1950837.525714428,15577758.80859906,9943675.747284168,12882660.34677401,7331167.947738909,5507489.600051465,2940685.441204996,3641792.474182241,22020194.67031038,2858980.155637589,23002433.68911879,4309892.497245891,3251545.628724734,27003917.12159653,15324719.96888363,6870212.236070205,1779842.433993876,7368465.081142276,3286383.370502046,2840322.273893996,1728580.835148236,1550380.58077475,2207506.672277777,4967195.365717187,2551772.274411628,3274630.28947113,6427726.494830865,3684886.158923489,2338651.297191112,1964850.594953686,4425873.796211589,1932419.168764828,7758485.51552364,7300700.033825785,7099980.067762358,7924612.205947632,8093674.842869684,7707708.489853642,7501524.429333473,7290052.636619921,6255832.964695114,6338177.862121472,6410783.424786665,6896001.417551943,7846316.668881317]
["Com_25_pos","2-Hydroxycinnamic acid","--","C9 H8 O3",164.04728,2.092,182.08105,"--","--","HMDB0002641","--","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","--","--","--","Full match","Not the top hit","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",4443111934.165833,3051539329.461697,1326562206.136446,2881036953.80986,3769361665.340071,829781715.7172964,2659403766.561442,2924351531.30969,3554261216.616253,3226476997.04758,1652515422.187335,1609855174.708555,6113926426.14571,7531473119.477417,7437171425.035354,3016828021.352802,872049488.484482,5288125261.83064,3315845035.485495,2694974451.008266,2130127982.183304,795674847.1267582,7371862277.036581,1539108273.678182,5644119040.386329,2186162847.273738,7101711847.394349,278586350.903263,1361294828.555446,2629289073.601091,3106619246.446451,3434362481.439406,4295711907.303667,3263617327.499337,865377396.950922,5171295255.885157,830019860.0264243,4025982446.480826,4133595989.012397,253088558.1147267,1793306646.165875,4744747756.414334,2208527991.685955,1912842133.216628,3186128356.712144,3481940349.455291,2417862314.265877,3420990133.9124,2879878736.32534,2580993383.16179,4653177950.604641,2704805808.365645,4937126415.509215,5052926683.999564,2771522331.94483,5382153429.081245,3936595218.816486,1961351524.339777,3166771369.62086,3596667311.076382,3519692787.565408,3435205082.345652,2132793034.931276,3287496524.380013,3477618034.176538,3276165175.357258,2106819697.409825,2555412353.378788,2282944813.416615,1681044519.308254,3374746407.325527]
["Com_82_pos","Methylimidazoleacetic acid","Methylimidazoleacetic acid; Tele-methylimidazoleacetic acid; 1-Methyl-4-imidazoleacetic acid; 1-Methylimidazole-4-acetate; Methylimidazoleacetate","C6 H8 N2 O2",140.05852,1.397,141.0658,"cpd:C05828","map00340  Histidine metabolism","HMDB0002820","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","Full match","No results","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",115050495.3792368,276783209.4756591,980932573.5893824,371568421.3498668,137320322.8914933,1245745727.107417,237450996.557948,70636412.12471573,169491021.8719864,536781494.7366383,621503708.5623778,1263427418.485769,51331839.38902754,61492510.90858174,50966679.94621674,347951208.0003326,920435230.2025394,164316581.134603,366086243.3351051,632660376.7397223,1362227909.162711,1130936984.416332,83553074.861152,2615178810.939905,108722046.7566656,1068952840.810792,110715451.71748,915769128.162592,1092656191.441391,1004246702.44056,1132078488.858857,464768827.7078069,96770605.21703131,119825334.6137195,2202180340.548386,191532928.1792399,4197232106.104805,424161980.642341,201521215.5172185,2745520790.291635,1236746663.583355,294929657.5814824,118553104.0941665,998813225.6815034,263911898.9556093,85703101.99578525,223413737.8278605,78380893.25916229,144643167.060461,328576584.8918552,116140515.7502536,55141107.28668666,173484794.8779912,48289329.12175501,176967828.1889594,92168057.36013484,203848155.9292932,93458897.39253868,434077118.106266,459490577.7030715,452647866.6809121,513680891.5787498,473723919.3835232,535392463.0498486,472833385.1672116,423325782.6672645,373818774.2337212,416701865.6739037,425816885.9662294,411384730.1050533,403182024.5498644]
["Com_94_pos","N-(5-Aminopentyl)acetamide","--","C7 H16 N2 O",144.12616,1.402,145.13344,"--","--","HMDB0002284","--","Organic acids and derivatives","Carboxylic acids and derivatives","Carboxylic acid derivatives","--","--","--","No results","No results","Full match",{"$nulls":4},1700524.377899906,1234294.808096976,1744807.380742085,695155.6224661138,1156376.079373151,2572283.491533633,1079916.352797254,1600293.245854174,915979.1024920652,51335629.40582255,965043.9623495408,1996018.235225974,783224.965971937,1260209.176941904,960504.3363199492,1687772.673561858,4385956.941316805,1393610.103730976,1718114.971041291,734503626.2465359,261343191.8376675,2341481704.602557,6769376.049904577,398162147.7930907,148149327.4997089,1369462.063164919,27576838.34037257,3465314985.29776,1266779569.732959,955389134.2358398,849728415.4037538,281332934.3938261,21939987.34914454,13414215.78556205,890768902.8252499,4822204.673540613,1257514590.619849,48835812.37829813,20699628.9841231,3503728745.782076,2729065.58553584,1181358.547390888,1024867.08803097,1233857.19488789,835442.4896944291,1685546.545245725,1098013.169354368,1522773.283414391,1681379.793983157,2438378.979193985,1290281.142484986,1099468.725269306,1111128.770150953,1711753.230138395,1565752.698595716,1262112.586759498,1422551.729546346,2360844.226942484,119225867.88265,120823001.4063688,135598788.6934478,131948477.8341187,129365601.2659171,137577823.3430053,139258425.4601404,106314630.2078055,129692848.3971424,102058711.8341213,114590134.8580781,103500845.0264679,141977717.3353138]
["Com_127_pos","ethyl 4-amino-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate","--","C7 H10 N2 O2 S2",218.01912,1.299,219.02626,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},443580034.1770544,405882357.6006711,655912589.500517,503530360.8917288,767203956.7269022,487412471.6273661,433253375.4458031,635496758.8664469,540957472.3613963,305090572.0667556,333303454.3352031,365720028.2212815,219979790.5604479,369816512.3965197,363670160.8673632,514033481.070743,648577679.4665748,472589822.661225,421073483.1423255,290189284.9872155,398605738.645606,212411318.0094077,133806668.2791576,296776941.3907008,82548663.27836417,146763574.9935631,102194194.8501127,161770071.590322,310334147.1097279,292905480.9823115,232300866.0108855,399107165.7492691,771296531.831408,427688146.8974217,301186906.8917676,378065937.4263099,328648509.8522265,514775595.4328723,521488433.224735,119190068.6312373,455034523.1270606,348646981.4132698,378097606.8908546,514754770.8423565,630984716.7161857,772838548.5300515,749767529.4911809,653486953.4160324,526072958.7899889,301981767.8454931,503950347.5534911,952060215.5969971,490872080.0932599,574161311.2041883,401075040.8902873,565394892.1893945,492837157.81891,406720668.4733128,594420938.275135,615316154.6968094,652378613.6994964,702551934.4802,663876681.9201509,680471524.5854529,758351462.7571193,650426914.1619139,730646789.8344208,761157999.5977532,714427160.5090495,712058612.9835894,655148757.4748659]
["Com_157_pos","PLK","--","C17 H32 N4 O4",356.24224,1.32,357.24939,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},12409686.70953656,8346865.305748194,3955236.97781257,5717434.96725427,9329961.77764814,2109862.690373834,3915828.414678078,20001003.31793223,5379966.6794699,8008658.147376332,2132329.18110058,2247261.673982395,13939843.97488443,17741336.43704759,18517137.24148418,23399842.86870249,3239137.609727818,6207405.697401729,4008660.84230882,164443430.1705128,7907106.995797108,1896311206.644442,98908017.29761451,368912887.5741894,373404909.2417771,3804716.966949621,133422115.4923397,17536284.4398829,1227507049.117471,724473013.0395257,829911376.1371567,299660350.3134698,59210725.60412571,47206900.68307569,8179210.411906518,16475130.10004974,5003884.953426707,72713337.58330867,44712592.08826094,1361731737.588542,2353178.889244921,4300463.094753883,14398967.91329921,3773254.110362699,11695072.56598752,14933649.16743596,9495793.987583602,17274795.40956943,18977807.24293465,12277586.28899838,12049292.43688886,19730346.54826905,7129044.664111759,19265298.37964936,12453341.42666294,9846389.31675937,10058911.08947094,15203093.62277923,57981180.1697497,65104739.17560878,66114804.88176662,69114364.73091483,73790186.1331033,75772134.09313256,76030926.45514195,73278236.57404895,71577771.04762283,66753866.71224549,71094731.53394583,70498892.01045081,65645354.17326827]
["Com_187_pos","5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one","--","C6 H8 O4",144.04222,1.824,145.0495,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},501523229.5820328,567530557.7478269,376304888.878111,408137112.3810833,484803639.8263067,455448671.3498783,428558505.8118252,550348685.7729816,389846113.7388005,292643835.2997196,314563178.6513581,322593735.1567799,254991579.4844112,432938582.5768202,399399818.9012778,567044774.1358544,412657998.0587007,459902749.585987,396926760.7459401,326727491.2844835,373653020.732173,278869452.8338234,203738759.9408641,344078254.364086,233945625.2626109,273665820.5014597,208229621.8906969,362242510.3316615,311318691.9499103,300233931.4608542,322041365.1263218,394504257.9120664,345921071.6808878,373507714.4380096,385010824.6180183,416622962.6150321,294669995.6911534,391778575.6577685,441752255.8572475,317602454.2105788,409287330.0572121,463640466.8483777,399762993.5589512,473855755.8538957,487566305.8116856,535554752.2793872,560564704.3307009,516863464.4797005,601755413.427172,522738083.45592,437448638.9000281,411952196.9877313,301171223.0182206,429263956.8497588,714559995.0364873,403917059.8941185,432132379.9558613,717030545.398252,330943439.367723,410619269.9206302,372775495.8536357,441604702.4990993,474864198.3095747,470773174.8309791,482554703.2478129,423897160.23852,506106039.1384562,467506340.7848161,537709247.5321007,476101335.8148122,493965129.8089504]
["Com_188_pos","N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide","--","C12 H13 Cl F3 N O2",313.06923,1.284,296.06595,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},710167481.1791567,127137831.9186361,27247819.6710407,146171021.4074887,332883686.1387057,19263834.89410564,158393535.001054,733169995.6150749,263722250.0742076,422021051.5528061,89057285.28164686,49566047.12589038,895341933.4945704,588836513.1449728,753404484.7780117,249274422.6678288,218541777.4066169,315982194.8070872,87858451.501605,32736573.69398888,239705331.6277804,38154042.67619288,323572616.7448634,71309046.95795344,40101580.11194695,201283911.4971411,505701962.5796717,16861859.28146045,88464175.00552967,61202775.24413089,213841968.9841297,181317957.0321158,715041463.4789333,380583770.1439616,101277407.1385103,731997114.2626029,129820418.6873638,335598266.7939479,305518863.3133873,39177526.92328733,108555352.5870877,216385576.9202912,243945958.4397157,281519577.4710751,208671965.7491981,830440276.8356651,543436419.1677129,297651689.1812748,493925111.6037074,220934978.4763988,454927648.5124097,1189623378.881178,190105869.8931436,1613561057.451754,244192188.8974063,404596113.4780177,394790266.9786399,898256465.8963422,327700166.445431,358903699.1127337,392444450.6814657,426000175.7504156,435603449.8850256,474297872.5025805,464582639.8558456,444062494.8757002,468277056.9780442,439267143.111379,467911551.5900843,414666607.104373,467964605.7825573]
["Com_244_pos","(+/-)-CP 47,497-C7-Hydroxy metabolite","--","C21 H34 O3",334.25021,6.855,335.25766,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Benzenoids","Benzene and substituted derivatives","Cyclohexylphenols","Cyclohexylphenols",4334723.01444668,14843011.35099036,122794969.5148078,102703374.8360117,23935600.42079796,56871339.16457372,8655208.016691277,803978.1228715186,39752643.79544354,8262599.743710803,55488435.79202043,132742033.2827937,1317835.516773768,735650.6859909788,760670.3552630143,5325479.325191929,9008813.045281164,7584771.611819283,18400214.04898915,2767078.807775372,2550061.587089799,3067189.594245748,830424.2568711404,4345982.044042776,1117586.705719049,1017266544.593312,1323513.23020024,3005391.917162315,2202076.533582697,1995161.746259075,2352921.529696316,2890560.25112324,1836612.441241646,1951977.459778378,5472860.255254393,1739661.231105024,3843423.258893744,1932302.422771149,1467782.650959085,2691969.845167573,425736413.5933794,60910944.68940891,37149550.03654864,94051931.45277052,266545669.0046687,3489935.970889717,233201273.9993488,1014817.821685778,20703237.3557428,86331905.79364173,5983871.669892412,2447489.345134307,39209918.81387122,1369144.595160482,17392895.03049948,19170712.79981065,7560460.70720516,1150570.587197711,49005691.4123115,46394522.19638389,45870917.13073102,48480088.30839003,58899636.69574982,57716895.85972046,62593226.87235508,58886824.90306729,71169625.27608176,49456414.22175333,68938417.3032427,72278213.11520815,62349825.55407371]
["Com_317_pos","PC (16:2e/2:0)","--","C26 H50 N O7 P",519.33148,8.938,520.33917,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",497788200.0122332,36186180.09595217,91505777.24180262,15917006.81714354,170406380.2723979,1924562.693353716,366947012.0519885,689215161.682376,84557308.56008267,508766643.1766192,8564164.253695771,3953446.748554274,790069999.3133928,75843110.98405728,401392707.5389595,164030655.0641091,1957090.910785611,75906448.36973763,166395256.5310517,323636573.718049,20677169.37463952,77713499.44369794,5908084.227258168,167970898.6625003,14602254.15840363,43968982.2560273,6149723.398117892,30543181.78964506,8179144.536340086,21966206.24713778,75207928.36111626,87201372.88920182,117147033.5350258,268497037.9244797,67326612.07177413,51056508.28672498,5903524.103631679,143512854.8760949,582805063.646848,11497576.70473132,53345461.32034019,78636572.4598257,156316102.3754928,173246719.7451524,374662473.1580953,108916491.0810048,267726009.4144329,321460339.6598154,263543268.149516,230730527.9543208,139467680.2437172,161303237.5294448,341185727.3458959,74152973.43033467,281624625.5929215,251124257.1227641,132628965.3030987,586762195.1775576,268708266.602006,264222633.035424,229002406.9930144,234118189.5749393,216604219.1662395,191232006.3435602,185280041.6978444,190851314.594487,150215782.4130845,163815756.1925879,147828847.7089577,133031165.7360039,130471386.8408597]
["Com_352_pos","3-N-Methyl-L-histidine","--","C7 H13 N3 O3",187.09554,1.377,188.10278,"--","--","HMDB0000479","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",18674726.36766913,150543920.2652735,39935312.61698199,21148810.68949076,14327788.77003415,54923515.11476538,17247598.62692568,12533660.55971604,16997709.10097861,86804736.90021715,62713167.26050158,63724709.54339859,8575515.017605392,37507205.44281789,9725589.65801907,39075207.88813751,54185638.29052666,79483312.10932916,20639473.72948936,308195739.8966979,471361157.4929599,577546758.1638837,23743927.93039634,443744797.7471268,226681091.2595568,53459872.34100394,65608995.01137632,702858159.0342219,513642245.8856293,590038287.6429702,330619491.8370454,247924871.9349549,56197694.63146321,110042071.4357711,476171656.9878525,59970073.10700971,566681012.4209452,200843301.241863,86347298.15219381,838281767.3627125,53127161.81759284,95049299.38138318,40790139.09818749,24934655.25659514,101366326.5461424,37954918.9980262,53883065.47527196,49002383.43031969,22916166.30269779,22172015.16369131,124225480.500601,11343878.56253954,18047817.500202,90198515.23687254,222017296.7079037,60739523.06909498,14162516.95243771,43833742.12713157,59398614.9640773,105255465.0045547,67724195.46272472,64860035.45624287,60616166.08964627,64531435.09964065,78204128.51009043,87737157.31834526,66741613.77845832,64227872.89590178,67464253.39214547,94006435.46536808,70667341.82383615]
["Com_373_pos","Thiazolidine-4-carboxylic acid","--","C4 H7 N O2 S",133.01961,1.406,134.02684,"--","--","HMDB0258979","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",199054006.2464217,279864305.7441832,108776664.8098221,74633216.46870703,438814190.4623396,76167281.53925611,228542132.5598323,442059761.9405602,37833063.44629421,24531507.26903766,102980783.7990969,110284856.1853879,123863075.6304822,102623060.5021822,176819735.6785841,410153796.3355039,66858832.27121966,217587532.2038123,467547022.0898143,21674356.61142721,44849109.92802633,15049958.85501546,284717652.7979332,47810985.61854632,207352251.0177003,170713697.1219541,435277979.3514016,6281618.006435834,8663010.570290139,18946315.38978161,98475777.83848897,259477009.5793259,549044360.9500283,189410075.7050093,89111964.65987056,259484854.4418524,23696047.01828225,73973560.21086039,188457013.7359284,23550190.48377073,252939068.5103604,213786077.5674722,363707974.9835578,37473448.41533208,285247253.7063593,444841153.5690137,176759868.5902136,140373713.7257392,523354096.8233451,486956168.9408925,515427739.4942616,388076939.4423009,440989588.9077766,105951853.2074313,203114213.8763557,249699379.9379637,399677009.5655525,382455124.4283574,256470065.195505,263008558.4611835,262836530.3495638,263851770.1916966,250539087.8319225,265690381.3527268,264829001.7063143,244670337.4153247,247483054.1143776,242563391.265459,248797243.9358785,249304825.5071503,255986074.5434716]
["Com_446_pos","1,2-dihydroxyheptadec-16-yn-4-yl acetate","--","C19 H34 O4",326.24508,7.902,327.25253,"--","--","--","LMFA05000645","--","--","--","Fatty Acyls [FA]","Fatty alcohols [FA05]","_","Full match","No results","No results",{"$nulls":4},64112673.71926306,12208970.79321596,33831624.74966621,3287218.006824787,15327254.88443264,12929127.26682108,179745433.2267494,69233683.01813552,7863894.309418086,251767201.3345897,5207935.939108578,174799532.2533461,532617738.0553184,5950111.466960989,49561300.7204446,1895384.80223915,17348218.89915077,7142514.004170433,11881139.07498689,28360738.39984572,8297233.604575598,5492733.886290991,24804884.48694159,26848430.58104799,31506664.15307438,14437609.21002131,103748315.8027053,4055559.480308477,28796000.20624473,2787740.580400378,28262274.06141561,11428188.62005498,52196997.79764587,109342013.7561622,38054487.05379051,15697300.53452675,6822323.274103888,941284.0148955588,11452467.22853938,726482.8154239459,3574031.473703508,102243083.6013467,172091912.8301732,90356600.75414404,19243831.49848851,20825598.55127446,169001410.9529518,34296807.38267966,20083976.25653561,140031489.5918094,5785522.391121513,90726174.59183411,481033525.2409861,3909882.541159078,7042219.704912859,31778316.65702398,64359417.70080429,7545390.893162144,51303932.6137655,48172886.70514441,47765549.11343064,43759311.30718524,53581796.43842389,56974478.59335204,49914951.56917159,46838618.95202731,55763109.84876828,53080804.84701522,35601031.01792982,49347313.04796032,42370013.5063676]
["Com_566_pos","Enrofloxacin","--","C19 H22 F N3 O3",682.31846,4.703,342.16653,"--","--","HMDB0029861","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",6031079.704477294,7710309.211505646,7186408.862356873,19740099.80925018,10672992.1678958,13327667.16844428,8088181.136635661,2077052.889007796,8506083.802372156,18995787.79157443,9137584.90999545,12665733.94325493,23787550.88509212,9204600.72829004,28422135.84430014,40010223.24390113,12394119.4777482,14618928.70993321,21004605.15519513,47043305.1670924,39729952.12936449,12198640.6706109,282100476.5044109,19823968.08300719,222794211.4557831,11301571.46533113,353643448.1911581,8689950.603785023,22343459.7056406,18949555.68538748,49103287.43974223,15884647.37377153,6242677.96398505,13300953.89922969,16666928.31191262,9098195.68474266,44224256.7454894,11279704.76227822,11331025.19103512,11305595.70716538,13792549.80546179,14910089.90473246,5646320.681089931,12898939.98903904,7075820.105128815,7457825.753401083,8372472.394185006,4900294.892431524,10539037.08341737,8830848.92036074,17103844.6592162,8011194.282323535,13272030.0607368,3668702.244294216,4126950.607630374,10294906.17583367,14238326.94289914,1599031.71661483,22042085.4907568,22877008.33108448,21893772.68637681,22714193.64828985,20728431.09889315,21240453.77349177,19433295.97951594,24521647.9364538,20910937.16684767,21377938.48548806,25233522.95755445,24352624.95777417,23348353.91804143]
["Com_663_pos","Arachidonoyl amide","--","C20 H33 N O",303.25308,9.988,304.26065,"--","--","--","LMFA08010007","--","--","--","Fatty Acyls [FA]","Fatty amides [FA08]","Primary amides [FA0801]","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","Fatty amides",303796401.0939116,280257130.5921631,126312714.5166825,370011814.4478525,406731820.8158233,197123704.5866429,202289204.567323,268354665.1679929,233189720.5062641,24457085.15598245,150224875.983398,87829085.56930494,76715065.05001277,206813465.2415821,136569614.867556,263710325.8824149,460656695.5471184,242623748.9941058,293558691.4215742,223571952.2032643,270065312.2061902,169404236.9418455,190395831.6347532,120726991.2385262,128523421.3971098,144045891.2571399,113685876.7960672,33591802.16276914,215716076.8188006,144929967.6895305,93940726.56263712,299296821.262133,278736678.5179904,207500976.600822,85486258.25492692,258041809.0549887,159608766.2833511,236748693.9962287,391601033.2128158,66356108.03937742,147782087.6832953,189635566.391375,270120762.0721519,236413729.4649497,60007234.77413478,270621499.7813443,401631447.9184255,275612083.4718419,652438612.6800661,363544491.1142071,231383712.6384604,150528445.1113145,99330548.59667236,330717596.4789953,415621938.1726411,251859903.02677,308703882.191097,422986236.5216825,247341376.551127,237418931.4531081,192965547.4897655,127470815.6301765,207398759.6012515,184403800.5456524,261104816.6098884,160552979.8607023,53024098.60496298,165131270.0599156,198202841.9282928,183082696.9798585,195647654.2418106]
["Com_675_pos","DLK","--","C16 H30 N4 O6",374.21644,1.324,375.22372,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},6878455.201897781,7341999.692227524,4203628.58985244,4795278.202978028,8067402.797750773,1865530.329288273,6458693.134102091,7573378.726469229,6382759.281336244,21096602.36483308,2427741.671083353,2671490.370852943,36077972.71861569,8927484.033801343,6087770.738029558,8247140.025337148,3632744.013306785,8606756.358222201,11149996.94981751,102557898.9645713,70303358.08466065,313721312.3692721,23425300.80605876,159743388.196631,60558776.79787023,2401341.463722,39573037.8193991,394517548.0821189,258509263.5033406,129197085.814933,161696763.1535443,48879969.12091255,11212209.01560595,14530385.90139976,158728209.8870842,7855224.379729632,165640260.1265879,17083429.16829699,14519684.04453692,226566031.1526175,2350492.774389721,6397371.323610584,5400267.319275181,4575545.078871187,6952603.037748002,6323882.859299554,6132395.962081799,9367563.91011397,6410496.013343689,8446421.88187776,7300624.174435448,5739076.792217225,7235263.163300244,5072649.447967947,6684777.61110307,8114736.851464033,6959160.323995014,6070158.209107219,17227714.7877725,23803233.23185263,23748606.85042526,24982055.42147326,25301125.39805748,30037317.63621576,21178934.58139021,27748534.19996266,27264537.88271289,28801887.60282236,25580688.22537498,26753536.44206603,24109288.03365243]
["Com_722_pos","6-Ketoprostaglandin F1α","--","C20 H34 O6",352.22371,6.382,353.23096,"--","--","HMDB0002886","--","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","--","--","--","Invalid mass","Unused","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",223986429.8393191,200132705.3208886,41903709.18831968,202116758.6944287,159714613.1371482,45825077.90410655,141685990.5915797,279938529.3857196,107918390.1212638,70535232.42448364,151778603.0236866,137168067.7528921,267863925.7007903,416775089.4771305,327678431.4626575,125140925.3495625,156882193.8361654,237768928.9885197,111452633.8014583,136287489.2742255,146803261.4880094,31408523.86755229,54290641.85373569,99409030.05937174,21407380.95128276,134415456.7849942,200264946.9346499,19587386.47409389,134724121.1499128,136941373.1599266,35084669.68818402,258008379.0789756,234941810.1690028,259666123.3624459,44814725.35028704,210245394.034032,32535575.6016033,187060557.4732068,245902191.584556,62147212.26567594,42663821.99593176,255397723.2924561,253274384.9773602,63808259.32122378,260190142.3109487,307433987.9099894,193451089.7725751,479136060.9352514,135582107.6101518,90146491.6148356,98198529.7757225,276627789.9424701,347041710.5931528,280859296.9662775,89275298.56547613,366994750.6870754,98518149.67808928,113880941.6983695,86387538.8837254,99139509.54057856,81474394.71478818,80228309.28166799,59394139.48661467,64916163.56043104,92955292.72562131,92658685.7443481,48338761.39256299,53745221.25212207,86120698.60921796,77558198.2560292,74753311.93715891]
["Com_781_pos","Cafestol","Cafestol","C20 H28 O3",316.20344,6.758,317.21078,"cpd:C09066","--","HMDB0035710","--","Organoheterocyclic compounds","Naphthofurans","-","--","--","--","Full match","Not the top hit","Full match","Organoheterocyclic compounds","Naphthofurans","Not available","Naphthofurans",13668484.90536752,12053762.54074554,3219022.60895239,8561294.903150607,19439426.8610595,6673125.508184651,7284132.459405739,17241533.16359792,5510932.677819154,10258620.10193524,5815837.010206915,15333145.96240758,36505618.00745782,21656787.57490229,20820397.50805238,5620190.008648436,12102925.81972705,4100771.687748214,7139483.643851903,6894134.844968637,10522328.99768853,5674235.378043172,8223359.589800688,10438494.27485617,4812621.715427013,13803057.29130683,20198235.055267,5668991.469493463,9785057.182270683,8470652.492851987,8468999.010019008,8533060.070791839,9570837.528965415,18977773.30355927,37224589.44595762,11401492.97048626,44960193.82993188,18818803.06123228,21281070.53634357,323879605.8832196,8688431.926318657,7492669.974364913,19138852.82275276,11020993.76951853,8824868.58062959,11879551.22941125,20236131.35231959,28314196.07806877,11121239.94608657,8000884.786383736,6603469.290856252,17824510.36413956,31886287.73391211,23912457.47603938,8087601.32760241,17170885.71838431,7059218.657549956,22182176.94390972,11367252.3651994,15950001.30965333,13982174.25484178,12837081.50770016,20413609.11738502,10245883.78283411,11156429.82348446,14775278.4905962,15460353.31348451,15811846.60425231,12118029.35093354,9975928.361033304,12763086.97421962]
["Com_835_pos","Acetophenone","Acetophenone; 1-Phenylethanone; Phenyl methyl ketone; Acetylbenzene; Methyl phenyl ketone","C8 H8 O",120.05749,2.367,121.06478,"cpd:C07113","--","HMDB0033910","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","No results","Full match","No results","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",67041236.80276737,52316074.87547734,27318064.94743357,57219647.39953989,53517339.74908864,42847835.03371906,47757952.16270518,46376043.36616369,55413651.74408355,152623349.1176789,43039364.39515414,178548230.2558481,67634376.815241,108575664.158159,95504182.93134268,50404475.09316939,94427122.91843513,78706022.7878932,52900731.51589601,43184497.90996897,58574372.58704267,126650354.3711098,115771149.2494624,70911360.12583296,73335855.39622281,143041059.427931,123318119.5744528,53602973.00720011,59041211.46295364,47759793.51881979,54967434.06043395,59162852.35059557,63862603.60733786,64952291.34677952,34938675.16322847,58136119.53246577,59007660.52733267,73382303.38364142,63524937.42613567,33164529.08461465,245198172.1295626,58072360.05004251,70339236.82120632,478277620.2002111,109235774.4640714,55874114.17781172,51276297.63585416,59498235.83048376,50502995.69031647,50742191.42130047,72922048.79965691,66660194.41192891,89236331.73340037,60024746.85559034,49984175.41428631,79129318.61088449,63906822.25990944,46624825.66681625,58189380.2399918,66256597.32655973,68872176.64790322,57173480.49854233,48190203.20562977,62730578.79889134,66126651.79578118,45295462.13022894,67578918.01548871,57696951.37440789,59585912.50386184,62911985.21260349,98375740.89431232]
["Com_854_pos","Glycoursodeoxycholic acid","--","C26 H43 N O5",449.3134,6.631,450.32068,"--","--","HMDB0000708","LMST05030016","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Sterol Lipids [ST]","Steroid conjugates [ST05]","Glycine conjugates [ST0503]","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Glycinated bile acids and derivatives",20663502.82256484,20353938.765221,16418028.89869894,21047351.34145861,15693796.38476427,11555653.65572069,31934327.59353198,3937218.536897026,53461494.28826389,7371937.901846569,22476538.55748698,11320656.81492039,3134184.57320621,4478234.850885255,758456.4006186805,60158439.650957,23987559.08895174,11247632.88109744,28206075.42451193,1048983.528837518,1626461.121377566,1409865.0725245,333915.7566523144,1678987.859027984,546274.7082401211,49980559.25764141,405380.9810523159,2215982.751978092,1495388.014076802,1021743.143310349,1751830.274566532,1572068.640499912,481564.9231578406,562125.0033052998,3626643.540747969,2297711.497684584,3863298.522704557,1527054.243699074,526991.8261535615,2458841.865600368,22870480.01745339,26070363.93552948,6658400.19314687,24189771.64445735,24609105.98331758,4274788.51354012,6314974.533261749,1513794.198406515,949672.5377730364,13382363.08045781,2464003.543229038,19412155.18988262,51910561.84286558,2128563.714596612,1332739.575902805,20835213.1823481,1009567.518370665,2899342.224231828,18250660.2962922,14612280.82093842,13276664.95124382,15832949.25606942,13821215.0175863,14778778.19904323,14516532.09513924,16551076.73917804,13453018.47712267,15819201.30912186,12303796.30724437,17051027.08729629,14659726.13990606]
["Com_948_pos","TNH","--","C14 H22 N6 O6",185.08005,1.404,186.0873,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},12942919.5825361,17343468.93346569,116640128.3903396,28516771.62240808,9157844.784617351,90590500.94734643,21695528.03071995,10888643.2431016,18729235.51938448,34735642.28400102,168835550.9400223,261301476.0609888,3831783.713048873,5474915.139979464,6314873.212744671,17667424.0255639,198017146.6568123,14861810.05124762,34346786.37577907,91650678.35240932,87587901.48536113,88497990.78661148,10062377.08156946,52826535.97998823,30595748.95870002,159764629.5787319,9933908.38006634,139022678.472062,65396173.95168712,136319645.8972727,44336733.13531636,71958477.25074314,13208985.7070949,6787620.616212528,47749382.20080648,8775048.907350173,46953389.09883872,14206323.82770124,13718463.32331979,108068746.4338402,262162380.9204514,35709701.81226483,58255896.95187352,67129774.60530698,14629738.54687079,6675413.639385127,12413873.67842043,8695325.869948344,11078948.6263192,33756737.57498437,12337160.49506983,5555622.768694549,22602656.98603862,50556678.07802674,18153521.77441907,8961186.364371873,20408794.79909864,20020927.65241444,19185593.9944719,20977726.99872911,21019281.43533412,23693133.84761966,22937965.24345593,17031254.30729698,23093427.80085644,21002543.23183425,20201688.26162603,22190022.90203273,22484310.43568058,21126624.94472654,24949134.62620052]
["Com_988_pos","Avocadyne 1-acetate","--","C19 H34 O4",308.23455,7.941,309.2417,"--","--","HMDB0031048","LMFA05000644","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","Fatty Acyls [FA]","Fatty alcohols [FA05]","_","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","Long-chain fatty alcohols",20653888.58615847,5962219.817167202,11795972.64803928,1641418.666760158,7968546.507203627,7674380.556216283,70250164.89952362,22607488.90177727,5555509.370672474,73752598.17124574,3134751.889288052,55432898.94320196,205573410.4217972,5606358.076258601,21854878.40114376,1872385.153962347,6788645.006543447,4649651.605037404,7941519.1290289,11770611.64813308,4895600.994773296,2539056.791570751,8644733.68429183,10772671.07317263,12113448.33341296,6753619.85078977,47080191.16093086,2917819.416899416,10637959.92339892,2027797.052491716,9734815.119147936,4910516.318911845,24009089.3323782,43978924.59954318,10919736.93849704,7292829.820619309,3031749.853338831,938358.0130858776,5270805.94670677,595611.0828452597,2919925.092472864,30035826.97317732,77572004.71758693,26389964.23988891,8978349.60062439,9917467.180997014,59340056.26485996,13459772.27368976,11497417.99129261,37321389.60194328,3795870.746768431,35220189.6805302,199214168.1672676,2291858.183875592,3523244.166041447,10210137.78755444,28849611.23556824,5187170.339935288,15789360.9223084,13300143.78843646,14718925.80911615,10691570.73705911,14357261.37146117,15658877.95248177,13054497.93555157,10555663.16186242,18306083.644655,14492438.71104806,15133926.65012481,12889786.54603851,11846478.68841778]
["Com_1048_pos","13,14-Dihydro-15-keto Prostaglandin A2","--","C20 H30 O4",334.21124,7.121,335.21848,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",137068071.4133267,35730454.53694846,15688275.4626052,3064997.433296012,61928879.56202664,4958270.863089544,116579027.1689754,104702672.8172049,13433398.18919886,56485544.23239761,3967633.062432725,57106769.99126922,191389533.8917512,14580092.13167564,95691908.01478848,9209361.396515517,8632111.107905604,28972434.05777013,21316046.35275191,26712432.9339661,8163637.98493197,4591727.473422462,16940029.93198778,25353961.28522072,36382870.2192333,683087.8128027165,108736552.1905548,4307416.661132315,19501385.53135552,5670810.978657774,17043925.56251055,24179881.43132402,114079441.2778978,188701735.5661966,8757329.486473748,50943170.06803201,2821589.924505444,6040153.428351869,36569452.44669282,139911.2039172365,873625.6787154134,40483117.08192779,148864469.9905943,27289994.12857784,26676841.06249825,67302334.3936064,178294114.2610755,29695453.93485011,28396063.89341131,80470741.70685491,17662122.23039858,114456416.3442922,103688879.1405965,28403539.17671319,10332054.13563554,72620723.55646752,105846278.8320635,20348837.71238581,42103961.3159251,28362453.0033708,40300043.61855768,36017130.81263173,44523985.92914938,31964664.56403708,40021060.77576847,31167124.96858278,50505708.47566975,27012130.01027803,30600958.04084913,43134045.98130382,32169688.58318552]
["Com_1085_pos","C-8 Ceramide-1-phosphate","--","C26 H52 N O6 P",505.35251,10.077,506.35959,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Sphingolipids","Phosphosphingolipids","Phosphosphingolipids",205811646.8900764,195408325.9642317,9891637.671153344,38954448.02563653,121082909.9338545,1056681.327826611,139248259.8071516,140535599.1824099,91728057.5797516,69366121.37804562,11029124.36253795,22282993.97058024,173674359.4048195,254490538.0793833,195167552.7117818,58716691.09870154,21950048.30858591,297675404.2321999,257034469.824973,95385348.27393387,85728396.04386394,5355500.820927079,31830451.25916269,46749509.10027522,17501363.63294301,39438857.26718371,32067390.15255168,2235287.023818649,12145118.27236912,71930467.22728628,34950849.26604907,121523710.9951472,48457969.83915919,154262514.9672686,20739192.86259273,202025524.3411289,4947907.4032868,147932497.9669896,56514283.32734513,1646913.29810768,4475304.811140875,39112243.89581183,23403598.35981625,53013315.97193379,253310110.260453,347625426.4906488,171965751.5297773,44876893.19780066,140091223.9684369,162943201.2891691,177156927.4148165,178049344.6615185,137834231.3189673,250563088.534943,393246188.7111537,265580075.8588567,224027802.3769004,185895732.3610262,48781580.8123329,37265478.90544885,61598495.25148387,52963431.10306583,49443054.74191736,47744129.99554087,42685188.06184156,37636474.60326863,35233277.17429353,45330191.24467836,43838384.88873899,34271823.60687561,43568534.32289287]
["Com_1154_pos","15-Acetyldeoxynivalenol","--","C17 H22 O7",320.12194,1.365,321.12927,"--","--","HMDB0033444","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","Purine 2'-deoxyribonucleosides","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Trichothecenes",5109889.626724591,4048110.396008547,8416709.279674286,4225119.571341303,4832441.559122161,9411232.049253017,4237710.706872668,6056637.364305632,4154983.382779347,2549084.404221293,9556045.71464601,14022513.01745174,2787437.732549288,4087635.192246534,3630116.078920838,4229863.397358902,12759355.77016144,4136364.513814963,5153267.446706858,37022457.45762713,75346945.75139448,82735062.59830993,6477229.383770702,123903005.9233304,34023981.46101663,10036349.34534361,10563022.37155654,125155330.7171571,89197964.27136241,142915680.9941078,93237897.26216416,36626602.88953227,7222418.662065037,5275497.056496428,83088545.15189393,6509498.202619953,49449235.70940405,8084035.262631223,7263009.390961787,201379918.5818295,9070586.9106661,7688197.293414483,4279774.431266424,7507657.086330202,4342421.425344911,6465097.493082878,4487727.578541908,5654770.466806007,5373864.052281415,4454117.289434872,5085553.382584549,5045440.914797736,3807037.055637555,5327042.774043681,5152139.937487928,4982477.169999081,4500875.292334516,6576230.822248637,9494121.96336581,10122682.70766712,11339765.35682873,9421881.366559628,11181342.24852735,10556561.97698711,11328488.84988911,8348377.06926513,8174558.754931118,13325802.22058764,8340547.225173995,6975475.951742596,8171195.844167332]
["Com_1242_pos","Zolpidem-d6","--","C19 H15 [2]H6 N3 O",313.20027,5.112,314.20773,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},8454622.65395131,12608616.33499278,50525675.36681216,21186013.4544838,11663253.68565912,49692751.43162408,25560341.71223301,4379869.586087252,28753112.51995682,66828375.2742596,54025816.06167447,149900139.7873309,25390743.9154768,20123644.10220182,16517444.32903288,18336061.15974928,142458363.9534529,22387979.01483012,31711895.41191108,74339993.78737898,98798687.16378662,163777911.1024722,49442566.22823841,98773865.56297696,42469413.33455224,105988838.4852628,54644876.55413865,134308836.2740501,92026302.4587226,91808408.1787609,94085147.83083294,54702778.12249855,15366898.01800288,22538872.88953662,74411898.68283601,18221487.29331865,93631430.8950866,24035886.74085777,17224416.18766445,100696892.8474076,88348906.87954453,53103288.71975209,15215502.581029,75553130.54315495,14170444.49080472,11605214.51996009,7372057.10486246,7434608.923301556,20327513.10585783,17066831.30625167,44551231.04834761,9691422.250572542,30316902.03777034,7997704.698489152,9441734.866474152,22561623.97498005,26314336.14619235,2679432.564815001,30070473.0268672,30699382.83220141,29178091.02401512,31490386.16607348,30286047.54451785,29320567.33395491,30154497.81031414,30365272.86648415,29949922.49254012,32488161.03555752,30689351.04383446,29055053.65520177,32453614.13340404]
["Com_1407_pos","3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol","--","C12 H10 N4 O2",242.08029,5.804,243.08766,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},4635525.459354055,2962829.770427393,25866169.02951995,25554269.52926363,16062831.37522879,71341357.15422583,41415499.90458656,5464079.036067829,14971086.6665954,52441061.8293509,3404397.511292973,4864010.119475132,2239458.369099717,7116131.570825472,5866790.076564113,5088294.683074015,168888448.6318851,25599953.54818254,13464491.8048752,5696461.576566672,8619654.269018875,7535232.139957285,1721607.414766724,8426455.616067387,4669416.032713812,136870834.5028469,3338945.110893894,8382665.888188766,9381301.794698032,11046242.33694843,6198910.619846568,10068389.91890774,3362893.789685323,6275495.715481433,8820639.983876377,4623749.489311397,9471713.692855908,6326358.394444048,10600545.55494188,6457552.080556829,146244273.7918764,3457157.41253028,4767360.497171784,4418218.983521568,21796316.20759887,7897344.572356652,14012871.11437715,9775077.035815384,9791341.865470191,51822554.44346175,20490844.73161749,14546628.67355641,8876803.738284882,21041800.85106457,19565472.47616704,20348314.18792302,20839275.95137821,20265701.17602137,23749094.0016054,26223610.52418317,23596311.40649343,14441883.27377083,27125783.14601487,24500536.46593992,26574834.06345106,26877491.82883359,31263979.47665711,16540382.29276884,36473122.7515905,8341350.564587176,32487752.52114373]
["Com_1444_pos","L-Histidinol","L-Histidinol","C6 H11 N3 O",141.09026,2.412,142.0975,"cpd:C00860","map00340  Histidine metabolism;map01100  Metabolic pathways;map01230  Biosynthesis of amino acids","HMDB0003431","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","No results","Full match","Organic nitrogen compounds","Organonitrogen compounds","Amines","Aralkylamines",1416361.058574612,2179162.784279291,43297950.30884916,18076399.50927953,2595758.182732274,61739118.70924915,9906859.36027616,976617.1490707344,20474887.72128201,23495403.52047493,44485781.08272414,167201232.875955,842834.5193297785,1121600.812063148,1064792.060789717,3906358.660386884,114978199.4867418,11065084.02610633,17105565.49997961,23900195.88715524,31577726.92418712,76501126.61153638,2009140.874688369,28076164.83299768,10533363.96166306,125123450.9969767,4124930.895360505,97762407.85469364,38279253.89919338,34550540.45411424,55353601.82913369,21805536.61521912,5936949.736070649,3005966.455922207,36348943.2707933,4261146.083124418,55358749.43589634,7915585.24950428,4425765.438644199,139548755.2778998,115805975.9921438,13372391.71756009,4578778.664505228,103458274.1775334,5578788.759242956,1415955.779042016,3578568.760833596,1712155.69774797,1292600.846988834,6218843.315470365,4112895.857340284,1619078.736150399,11246030.81146107,1029635.233029538,1893269.081401562,1311042.228787283,12563237.91988776,971049.691041766,12470786.3236766,17401337.84849172,19225265.07120355,18484629.50561076,16806921.51315231,16020251.83199989,20848765.65814056,15471523.39209636,15500773.52515541,15567434.88794739,17346616.43489853,17062433.91038172,14147307.21032948]
["Com_1492_pos","R-1 Methanandamide phosphate","--","C23 H40 N O5 P",441.26986,4.863,442.27722,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","Phosphoethanolamines",14221298.46277011,38726927.27463306,18492644.58972373,13724383.91218217,30502230.71596576,4790950.026005406,22163513.19041126,20838954.86923852,35577569.5208913,138151095.1477802,19458488.14905843,4414859.362581994,116183008.4857937,8901577.618811114,5533188.140390173,72402473.13804406,7595088.582078901,9493440.225717044,12166173.30174323,5555227.719977379,6262639.944816368,2384814.230962522,33409133.36159416,24879806.70866768,23265383.44647959,4390740.22554906,34580453.85146452,2082848.686051936,10136566.50519916,4668260.735744372,26912045.72936889,6010228.992128788,11716176.53606511,32131401.79120265,8077537.502389861,20219278.46371185,3437769.020080541,5334985.438482118,9206513.407797126,3181515.230813893,2717063.245753756,9753906.125583822,37024876.77716736,10247746.07716453,43716452.92140239,26014590.7349886,18753235.84483936,20083891.23483316,10180170.93241613,12679174.33483219,26656989.95558812,15278353.93256482,18268806.67112581,8616523.569233662,10176732.16823998,26367921.59625135,9765103.130223026,3514173.831058851,8503051.95936088,7219857.04471603,7744733.339588066,9555950.563893966,7810526.284740331,9204023.83828695,8127405.247690643,8119040.923173083,8898684.76406397,8926246.530178092,12363360.34041484,11045399.59895864,11197695.8954311]
["Com_1559_pos","L-Hydroxyproline","Hydroxyproline; L-Hydroxyproline; trans-4-Hydroxy-L-proline","C5 H9 N O3",131.05859,1.433,132.06586,"cpd:C01157","map00330  Arginine and proline metabolism;map01100  Metabolic pathways","HMDB0000725","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",1182881.259774825,28877771.04155618,998185.6470511272,841324.6597594969,22669313.10159096,5342445.094766689,12608512.78602202,1620465.47091796,1191784.570513065,10433521.10641996,6094569.965728047,12331388.12570246,11280788.10871087,1413496.61188807,1126556.748668228,1202856.152548642,967802.5178095292,1455170.35287328,13426122.80360154,31714423.42612425,32284389.34446949,30746459.22161664,9695241.55251682,51927869.10280485,9488413.929845314,14734631.8557109,1281790.931391715,44305539.82937231,46395074.5808472,49028216.5250841,26062396.675824,25526533.18294364,1213376.164580447,1300058.476966805,28240523.53469808,1556782.696686762,21038630.29342539,10559221.42057827,1753753.193087171,152796091.2024168,8545419.65538103,1369324.493438243,1222965.374586984,1234316.607066166,1208673.864626478,1549767.704031938,13598209.53399194,1361368.302458217,1889295.07886299,1563423.395470938,1372060.69700947,1303511.785404063,1293562.789095947,1860342.050690866,1937813.687244022,1321166.543151844,1529804.374422709,3119815.774540944,20263058.3066755,15832138.7930982,15697520.95817654,14886495.04677351,15655649.71925256,17667424.65445558,21909924.74467497,14266023.19529046,20027573.00624806,20866217.88970955,16547903.59637716,15991913.65453319,17386141.0371025]
["Com_1671_pos","gamma-Glutamyltyrosine","--","C14 H18 N2 O6",310.11604,2.3,311.12354,"--","--","HMDB0011741","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",25365503.31327288,24033966.19214728,11949728.46486329,16241210.09593538,36182900.35660807,3483470.049035652,24112685.30847967,15842717.21821359,28825332.26995025,18066438.27914544,12273524.60342058,11963826.6801462,85699926.14477119,88874454.45369181,85779439.97363694,22784188.95706828,10247385.60943281,32298964.56447226,26625591.35720426,27830223.99918113,22912214.56763157,5519354.48377021,103194897.9370025,17474714.5040137,52478214.34620769,13458829.69842614,78270651.33727239,3498500.078814207,14352942.44573839,26290433.40184188,42511526.71200451,44304084.85194118,63780125.75552525,62781293.36493758,7392768.484636642,47502029.80548515,10880226.94023226,68567337.5690007,41502931.22441633,3969111.60766888,9917920.99512276,26517066.60982042,34956434.00581012,10222539.35541983,25906682.43219857,35689571.31047652,12219904.78033291,27585941.63057186,30116745.03409076,30630942.14314021,61461655.08068884,57518463.28236989,42103485.72519241,54063100.30856873,14678317.14529881,40596538.1429667,39487552.08288439,8835488.946630009,29227918.2181148,25039625.09517709,27309318.37755401,22799233.75645833,23379682.70934384,19362615.66538339,26884803.12277139,22900245.98103336,22952607.19196225,18745072.71720042,30054279.37365687,24901255.21073048,28290429.24822513]
["Com_1687_pos","QNK","--","C15 H28 N6 O6",388.20689,1.333,389.21408,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},3726241.453681679,2774785.128747646,5124709.436898419,2990472.804263965,3913791.283011702,5692823.766772791,2848630.139756797,4062473.078907668,3710887.608578408,2711333.206344412,5552067.218787015,6902506.518882735,2130350.631268267,3339610.404099585,2850302.945907096,2949039.934839714,7726620.354497275,3269376.45237339,3442601.709510801,30621475.18590543,4782379.240520665,124060280.6885188,4012487.388036909,28985775.03925974,37649221.06240668,5495124.910421344,5551133.880176215,128503872.5119503,107791189.2600676,36396047.69084732,9881862.845998108,5627645.24120011,3189683.271895591,3014017.214407244,6903218.050013585,3245451.761869063,13131672.36227183,2919999.87629768,3472473.571071016,35659249.86279752,6105781.47717355,3363330.108662362,3285808.275705141,6348589.927076904,3517981.586203275,4836223.472982495,3287093.763590312,4531493.028326804,3591377.545147681,3256937.964932085,3104755.252106675,3758585.291798023,3126433.174344682,3891853.873715186,3077258.39594562,3683429.362626217,3695718.293261622,4200067.694678155,3382860.20472764,3530056.889051165,3539304.601786891,4005322.135249821,3272023.778888933,3991970.125742942,4736118.807370522,4738569.373843864,3945113.251249375,2904634.532941741,4741813.025018896,4751821.324171847,4104515.74756934]
["Com_1794_pos","4-oxo-4,5,6,7-tetrahydrobenzo[b]furan-3-carboxylic acid","--","C9 H8 O4",180.04238,5.032,181.04974,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},9845340.566322798,15126917.79528752,67033253.70683538,25428502.5724518,10137617.96568275,87979392.4713583,27769115.76595186,13132210.00399583,32736380.36215584,24582337.72885933,61570445.37026402,125163300.4366045,4678119.35002351,7314396.102722988,7367455.436001463,12233795.50637809,96460439.08472602,22729172.55528882,42009393.46427548,56690550.41491796,63466816.99655269,116693105.8767767,5073463.388638923,68522651.7694579,30021951.67209544,95245304.50158744,14495840.57863905,138912089.6057908,95682226.40860188,87496231.10881467,69851340.49934514,42818286.53564166,18389661.56870158,10291686.69799656,57299256.57287476,11533919.22330219,58868823.25992917,20905807.51391478,11505739.95446047,39426961.79565717,128508802.2875752,56173746.31787894,8334374.111052318,55831683.03828377,11766229.34768269,12713335.34282999,12469606.73953569,11920354.43084762,17558275.73949333,30607572.34242053,10105021.80265601,9958733.21510388,14988772.03064927,7288660.134081984,17885043.95795172,7791317.207577668,22470005.17419032,20810648.13778381,33827986.9951917,34928737.40549168,32011860.81432031,32313698.66165588,34647688.080084,34234706.91446938,32886185.40069456,33039858.5009481,31328489.86631099,30570210.18904915,33943082.66327368,31568535.05970164,32574923.22441367]
["Com_1845_pos","16,16-Dimethyl prostaglandin A1","--","C22 H36 O4",386.2449,6.31,387.25214,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",8938578.28204595,48765192.41356862,128130973.0755137,147187629.0114027,25247566.80213726,187558218.7068688,55389590.86297731,3216303.105026034,59173789.38522284,43795585.15754779,58007309.69060619,26635666.03611394,1778053.8720702,1717181.183938069,2207491.206904935,54818976.29407202,121662133.8495247,26458751.46271792,44057253.26324865,41234147.38480997,55150296.17807246,37366238.56062187,4929924.192974609,39429490.09068158,17759316.61080644,58178556.18160351,4852485.074654239,41887736.71358621,37544979.43357527,41462519.96124765,87229964.89194912,42841908.45664993,5679725.203802035,5791789.943254383,123303690.5878049,7049364.040140084,103203679.8300835,22673977.21695895,11598238.98402136,81874290.87777486,145032636.3470668,59702123.57019045,8241134.876892093,208786950.4432825,78570649.68812326,3452256.834548045,126411615.3047327,2563595.41169119,6154452.277444024,24257672.75782337,11452460.25431531,1972477.054224746,61915793.68597371,1566718.179304856,4165780.076654748,5945372.730155665,17962238.30077965,11244768.84187136,32957782.9080351,31683745.37430673,23265978.21243912,34253494.99413001,26355194.72228864,26310791.9036248,28404998.49955004,33881005.41865704,27265313.47227366,25658194.6967048,37781731.03225997,23287006.22000523,27270124.15963232]
["Com_1918_pos","3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile","--","C15 H19 N3 O3",311.1229,4.951,312.1301,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No match",{"$nulls":4},35832303.21558952,7511172.477285542,5371752.099258482,8372456.607557642,5023581.522319889,1327493.871194792,4098595.989992324,20032066.63466931,3228705.432139214,814674.1337351892,814912.1342670348,6102742.28889981,10787486.56300672,26913972.7239157,7427256.750947387,2160275.368739668,5551365.361349755,5317312.87430452,9748478.356886525,7650132.236053213,5621715.566126656,3490484.765652665,4727069.253431298,6864310.517416835,1945768.723344554,2499036.565184823,1668567.9485548,1787170.385554689,3272289.995590642,6941535.982232954,6375473.41420941,6739544.276868467,40260519.48313483,22330481.57947617,5282486.077918183,23406973.66065022,5572453.951554913,18071119.87994228,20088320.75364107,1548818.492119746,4210175.772859729,617458.4894248481,15706103.64811931,3654556.959952082,10768923.53786825,8138777.873159513,58486009.9676006,8023645.006525585,11821062.38958487,7065432.34261975,4253720.429847839,25614989.5640661,4552845.362434799,7090443.136131041,8339346.304744861,9010152.144784585,14530412.37750377,125905947.9557204,7647282.52367749,7062903.642226135,6002471.639596656,7427630.876997118,7449429.286674454,7238810.125219775,6002371.185979257,7597215.218588486,7118437.667359479,6882144.263125966,8908694.344849126,10546496.72350143,7665274.662570939]
["Com_1939_pos","TLH","--","C16 H27 N5 O5",738.40223,4.805,739.40784,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1734081.78842971,2448601.416348176,3105510.583017155,2744479.365126401,4066903.496595773,1937461.232170855,1786251.744774327,2026536.447109467,3223247.920060011,7417015.120417581,2032251.428529344,3119702.953238194,4850114.807666,2070700.221867092,4742413.659291544,5262805.583638827,5136252.76329485,3652169.066370547,2978271.872144558,3920681.415513835,3467064.495317967,2230526.191069474,12936744.88725617,3648860.889552415,99691137.02890576,3636582.555123308,13701340.53582826,1158858.368211757,2140854.272421311,2531109.230464837,6553033.997134569,2048822.847914218,1784783.129400112,2638559.457956705,1772069.032382402,2409645.343823102,2430783.740727257,1907701.722037069,2545546.684143103,667432.962213491,1411366.541245313,1717498.792839272,1882433.15148327,2964331.86598439,2933406.625900854,2255495.396767649,2448503.666411298,1332313.604401867,1220443.157801273,2280893.801982295,2208880.706644328,1692014.540944227,2213817.432737097,1332586.446829626,1441865.027215359,3040848.757458705,1586901.779179309,2031326.98303144,3240837.39618206,1892554.860299533,2355835.802847267,2373182.82568436,2146921.644193888,2556989.771515155,1675997.473711991,1617009.249334688,1947502.068207866,2108593.177665169,2159960.474869454,1809472.70249524,1420734.994901653]
["Com_1993_pos","Choline bitartrate","--","C9 H19 N O7",253.11725,1.737,254.12457,"--","--","HMDB0250194","--","Organic acids and derivatives","Organic sulfuric acids and derivatives","Sulfuric acid esters","--","--","--","No results","No results","Full match","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Cholines",87873834.12883241,25183138.50740582,16079802.98877499,56247356.62831148,41392483.04733346,19415048.99462728,37451849.93067297,61642451.40453479,43973267.22722378,19358615.61497076,22852544.20819129,25081875.65567324,18766295.99815946,14904563.67101253,35113160.9630164,46838259.03615412,25799823.39334535,12780104.83108426,39022835.97667158,41800461.89741409,51878503.51369222,44668119.62810522,7781500.575177757,40356361.44637223,15437831.65310991,43631165.3961688,3660089.875716161,20430002.166247,24321227.43189758,40373664.96186279,51548622.54050604,41721803.28848195,31062009.42512244,14529738.40178251,69668551.99612713,15151216.75952796,38564087.43939765,7802594.426997467,14497579.12482562,7828924.07146741,40414617.80645443,22251518.18057536,73930803.1508439,38143066.69840533,32148528.73943066,39866506.02244473,67156563.44957821,31053261.24854512,27780304.0813502,15276075.80863619,28843795.55260946,53683377.66065979,33316901.13013256,35091612.92647433,24640915.65574172,68191800.30865192,34313730.80668494,49064855.92066982,85048514.8188721,70746457.29677087,74784455.94132012,67998521.746707,73681359.26580425,80558617.9347666,76644477.14982274,82082964.11624928,76868401.73713677,78370195.94752705,88071358.1519417,73501633.9379746,69791688.22057897]
["Com_2079_pos","D-2-Aminoadipic acid","--","C6 H11 N O4",161.06877,1.325,162.076,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",17231595.98913316,13875441.84948223,121219407.1562791,27638009.04097398,13430181.21229737,100182827.0014905,14352024.58186832,11856059.4427587,14818269.64802641,47895880.73231202,95484232.55283128,33730472.18457936,3019693.375731197,7742562.281959031,6361660.891008019,27364356.64190509,27529792.39949574,19869894.67056114,20987067.55959528,20569077.58624771,24384578.42118103,54659190.37734769,5403374.614609517,40623260.89483552,16110882.72846171,95734385.70617168,5354268.561283875,79924210.26578936,40441139.45341573,28149806.9599973,34494849.03477247,25886028.19589121,6541759.87724196,6139363.298312391,32620031.90643219,8513657.050143104,37787922.51699574,11611372.86957301,12062044.455718,57424817.31295747,35136010.36739792,16414969.36320461,11170419.34720879,19971010.43715354,15341500.50598395,10779742.05679172,15546936.56276028,9148262.586762097,12337639.29041151,15788215.721476,11068592.33662307,5645556.869808895,11239466.40664876,6173363.681878,12753370.74919887,9582172.611575088,9173752.600989323,18520301.35281908,11006338.8052346,12547656.99907038,10917912.24192264,12626939.68329795,12445215.83854203,13271294.51271392,16181675.90760717,12400546.4231929,13265245.73968654,10800284.06099217,14026188.77876883,11272410.88813124,11101394.93849419]
["Com_2094_pos","Norfloxacin","Norfloxacin","C16 H18 F N3 O3",319.13784,1.402,320.14502,"cpd:C06687","map02010  ABC transporters","HMDB0015192","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",15233869.76047086,19763611.93147294,43711907.11285532,16091775.7006955,18003408.54696793,32532400.78047521,18042338.96068788,13180206.69586913,21089153.63676338,27435672.21647701,38628146.59315063,31900751.05283064,22521115.20510104,11085987.26828567,10916450.66005822,17951319.45576072,48867582.86728312,16230941.95354526,26045752.67923981,41099697.97593267,51892386.45984982,69048258.14625596,27902224.23507711,50028836.0227115,65451490.72175685,47292451.27201855,27099380.90903509,107346127.7522811,55076091.13055742,38950253.80212723,42489882.88483119,28991535.05969266,14209222.72056552,13961955.20325366,38669264.92920715,18191396.41287228,44747442.97075648,16088783.64267301,14610721.00825982,115604698.5545977,33745729.49835712,20520824.99190493,13070112.2915488,22150873.45072033,15413884.85629456,14426249.34748451,12568247.8902641,10586699.95596169,21326136.87870142,19785132.15187948,16406039.72734165,12142931.66146176,14422233.55435318,10101954.04463538,15782449.06576524,11696990.59362296,14559277.92944717,20353883.4739641,13744891.5542944,17596361.55859844,18987348.17494239,18196399.20502613,18200684.93663026,13382054.76696362,19828281.62236282,15722939.47577565,12908589.75229243,12910959.58237535,11728464.165341,18501914.21344979,11409933.72642471]
["Com_2131_pos","Chrysin","Chrysin; 5,7-Dihydroxyflavone","C15 H10 O4",254.05709,1.478,255.06429,"cpd:C10028","--","HMDB0036619","LMPK12110189","Phenylpropanoids and polyketides","Flavonoids","Flavones","Polyketides [PK]","Flavonoids [PK12]","Flavones and Flavonols [PK1211]","Full match","No results","No results","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavones",9655536.48831602,33631720.05261574,47916016.34668022,15742863.57865871,46995690.07922427,18213128.97799885,29580154.80636673,11543383.59451301,99074610.84297071,34844197.86240348,22903225.33720993,14583014.45874571,28731597.33767381,27527190.31050245,27196586.0245833,32477519.1188919,25975430.36055912,70813544.1086559,118279006.6559581,10424808.64923773,5447554.703559898,3379646.698471945,11686064.6460544,6256763.647098875,11461357.80386163,12022433.28875626,10139680.07727419,3691178.844186912,5045596.442630233,7427021.245782983,8285150.656118863,11049473.69993556,19484288.34078831,21991539.63013811,6618129.598202695,16333815.11632826,3739472.654456412,13193455.01929657,15343563.6524887,3954426.196420466,10140738.5985906,155943133.2913091,20282328.53743206,53270238.46629769,25288252.49093419,66954916.13952613,7987108.277670967,22728646.06027232,38017171.4919153,96296451.05712572,53967536.24071632,39460567.08889475,69171233.31917982,19457724.38635208,25215529.98668842,42825634.30303571,53295715.71755105,21598147.97021329,10267751.5743475,11010136.49297312,10281443.24910623,11500396.13559977,11779182.82216035,13705754.73523464,12598688.33980883,11150173.85207022,10093545.51420682,9905859.104792103,9595802.676385226,9465750.656801814,10542864.8196168]
["Com_2176_pos","(-)-Huperzine A","--","C15 H18 N2 O",242.13783,1.308,243.14511,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinolones and derivatives","Quinolones and derivatives",4984354.040759392,6484767.925210192,8702286.627663499,9154939.07691735,4962579.735850793,6826264.714351059,5419012.52690137,4964281.229879899,8209675.92548556,11098142.28722251,12959735.31926608,26054758.16965041,6705076.235385921,8224546.000676151,11067488.53558641,5263578.064324165,18915692.23433042,9984614.016673474,13646580.75855194,23283749.90163635,25186489.07566491,96679831.1010756,7697240.383450624,58876585.5731083,18353973.25160545,15206539.29846243,11739627.07729923,101951325.264065,44084596.13462878,42631693.04962636,33207311.9811196,20102685.1515345,7890944.072717967,6808778.759665332,21036246.43311666,8415758.446117816,24581823.63292395,10117458.91972051,6383118.180618097,111624366.0211252,14989709.62527362,11420318.3927232,5033628.143743757,8846483.311090985,5363228.792650543,7934838.195364099,4569041.137397553,6025854.508332997,8083908.565133718,5861532.799006335,6677205.899075246,6029271.46118704,9112570.2677941,5292645.539965291,4943440.622629744,5766680.689307556,5599493.081252706,7482138.587864243,11339617.5243135,11271175.81767128,16431741.98409781,11267047.44660102,12354879.59911886,12040338.979977,15743411.61439392,8729792.74457004,11165217.94431414,10317706.141599,9895343.935773823,9344770.3153339,12900298.53440832]
["Com_2296_pos","LLK","--","C18 H36 N4 O4",372.27373,5.138,373.28098,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},4119222.816093258,11831985.32611417,9741992.229005294,15997826.79210908,2923743.694968325,8571594.455798708,10917114.26526545,1530263.683740352,10631315.99394026,61256742.14623737,11756702.35230986,10162348.52013198,90231677.87590852,2264311.059307148,3339370.669568716,14465128.62525473,7664273.564389432,10974385.97118347,12222251.23942734,36695962.9491949,33354788.69038795,20367434.82750257,25330989.84470662,30342878.51464232,30976904.88618029,14157904.0439064,17688222.50491655,10100823.43710311,20637902.93982092,19902843.54101453,33923129.57260153,9824314.07245213,1061189.735539022,7430956.259696449,30957668.98921897,4642044.046852767,31149207.28688898,5209768.763622413,4186823.186556467,7979740.505241494,6596864.659612456,9926013.624924622,3844093.303315923,16052731.20212838,11182244.96336776,1558990.917392159,4855629.279583271,1762680.860016074,2358194.164255361,4536261.56006908,5996847.927552209,2073323.065061194,9384413.432328854,1598348.048007629,2166999.67492872,4915863.400219459,3202252.79396792,2277203.172748032,7816199.04690356,7551931.204689181,7749370.254438576,8594132.457674185,6571717.686831131,8218661.152630687,7243745.223934473,8709284.888628243,9086765.455564365,7944465.096042605,7525497.60653522,9032863.397775471,7864244.076911848]
["Com_2346_pos","Dihydrotanshinone I","--","C18 H14 O3",278.09396,4.709,279.10126,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Tanshinones, isotanshinones, and derivatives",753040.4819348496,3869408.84496317,46433992.40625095,19755392.0132005,2648926.295170172,53876451.67979757,11630371.3781974,349300.9279359696,19873885.20261763,12386492.44844407,44186472.38690241,100528765.7020208,494389.126763057,414318.2315176246,398912.0537543147,5184861.385519797,78603159.90700665,7051938.429797508,13632374.25648518,770177.3783117018,620000.967922515,1273478.603693249,550875.9218936601,629256.9963193394,550281.0680429882,85124604.7486319,540753.5464797191,1401590.431506152,1656101.755699983,549532.8209622095,761279.9608554376,387337.6356004134,437704.9457629385,384480.7397884652,1776120.959398014,427547.2050212203,1443888.858214204,418373.9486141183,444331.7176412955,1282969.044280465,111765754.8316295,24829153.76984113,2054607.92844882,68029715.59918185,5101948.833093894,980029.1049828829,4332143.444930171,410935.3827957228,1241875.344654018,11038865.35038073,3490361.29137162,1131572.537052425,8068824.351181017,529568.124538109,1450412.686975411,1030239.511758059,10679266.70733782,761477.2104231535,8022342.85206802,6254258.08461977,7557062.365806472,8115363.392996315,7271740.363028578,5996366.619140168,6795495.424116689,7918512.17234172,6377827.788771615,6890853.653663386,8690039.695841905,7915195.226736096,7499999.434323859]
["Com_2352_pos","Palmitoylcarnitine","--","C23 H45 N O4",399.33412,7.307,400.34128,"--","--","HMDB0000222","LMFA07070004","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Fatty acyl carnitines [FA0707]","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",136262707.3607212,42737462.98537514,60278287.53801152,383274.2435842363,88662051.34587571,683365.294307095,90889636.34440088,180269434.4389063,41065842.06573587,20761704.25915493,19439284.60475915,12193545.32626718,16752464.30025002,43113758.88290456,49010134.89182948,58006813.03765791,8444588.0542274,30369817.07996423,34277456.20302954,42595398.52705875,56801932.90656225,28933353.7298904,60124729.1423095,26861467.93233882,53552221.0548497,13824625.69863583,58769685.27197209,12836961.38129038,30823474.90497778,47045621.30606396,19455162.12938716,34639062.69132523,53032492.38068833,53927965.04408707,46080836.50287765,29333256.12866908,3197135.776018062,25893380.9033563,49696177.40949867,15164635.18158992,1222153.750452365,13809689.00117051,44672757.35788618,35638869.8835775,152893348.1827535,73059875.48722094,197263682.9668309,88625314.39338157,62883086.3991182,97413120.78124677,62697138.27699322,73116215.53801629,94783494.24707392,57515216.53671932,109484408.6624663,73641686.67907819,47214512.53070005,180714207.6244982,40033911.6129485,9668404.480045613,32856407.58363504,27829899.28549199,33217804.1932424,27115346.60153575,28082137.59762784,41306480.20360169,19843439.30087587,29729724.61545056,27528480.03942244,34494887.47039536,25725277.40352843]
["Com_2442_pos","Quinoline","Quinoline; Benzo[b]pyridine","C9 H7 N",129.05781,5.133,130.06514,"cpd:C06413","--","HMDB0033731","--","Organoheterocyclic compounds","Quinolines and derivatives","-","--","--","--","Full match","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Not available","Quinolines and derivatives",54620380.30277008,17398769.48522245,7096685.634410777,22023181.50798255,33624853.54870881,45668681.01862073,9445158.54446043,12222921.54316335,10270830.35946882,11164278.5308762,19165431.12399702,18331773.29124082,14197737.66240686,21409733.59007748,19207700.34299396,27859793.38261104,19198199.70669392,28318453.02739194,94918088.54064389,11261198.08932321,14714503.04955359,7107364.253712962,25976911.51574576,9455568.52534564,18242743.29312262,36923526.97417949,17258322.24756325,4243784.381642004,6192875.961549186,9609312.408041144,20886216.21947394,33635199.86037176,37852232.487988,26679921.34650558,27390718.768658,19578311.54049348,6811747.711497814,19460995.40181685,58599180.01660649,3546168.507161559,115729282.645893,20245297.24058153,62831442.99388811,8914695.945317551,38350777.34587461,12249789.95114815,55837339.81193376,12791785.73240322,29865646.48389971,41120765.29655682,29452355.45370824,16446409.94425043,28289843.7883951,19889651.98823028,27437399.92367822,24417803.43450024,34336438.86757859,8442858.587183518,15687508.0482832,15992080.92255359,14639065.95179278,18853864.45128291,17568184.51688043,16140111.67708383,15857148.21769358,15708227.08787027,16095293.90112136,16492872.14230014,18154432.40643453,16659590.43606513,16946086.23064255]
["Com_2587_pos","(±)15-HETE","--","C20 H32 O3",302.22405,9.936,303.23129,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match",{"$nulls":4},305647.4939746938,328517.9837297901,359601.4451272718,1293391.055944361,728544.3522305944,319944.8414754127,308626.9338712513,224963.5889297701,311245.0457693668,127244.1433483386,274509.9199076778,296585.8312877426,75575.45387910843,451438.6027236613,166534.5601747215,233901.0183969443,374722.0622482529,708593.6851783261,423321.0980195263,334721.6878588835,582753.5488452185,179698.5176034274,522952.1050189568,199045.6557051516,257516.2120768313,230010.6839695865,650578.4587012766,184740.1533200826,217295.6504987331,483816.8771140165,920607.1784535206,893454.581020951,430095.4983444842,536777.5789587573,11485683.04249103,636974.3188362402,12327967.81035981,1081886.858087068,1147274.398684693,92871017.32952936,3195917.484883842,1405708.665193939,404730.1935259844,7550835.456099927,621372.9794442919,558806.1128465821,1093336.427833843,638937.9732924841,958490.2893727022,470289.5688011904,526314.8241155517,658711.739185101,3019906.428482227,507414.5493497157,772555.5789838402,385512.5759145892,435114.8498985644,1098624.138643502,2496855.35697779,2653512.843568341,2381251.741455799,1639305.844823731,3009624.494733641,2124136.599284199,2057073.681912829,1913076.779192302,2131247.257496888,2811404.792890613,2383848.523869333,1712485.437575306,1652769.224811824]
["Com_2728_pos","3-Methylindole","Skatole; 3-Methylindole","C9 H9 N",131.07347,5.13,132.08075,"cpd:C08313","--","HMDB0000466","--","Organoheterocyclic compounds","Indoles and derivatives","Indoles","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","3-methylindoles",15894962.03894118,34933430.89950812,11063352.76222811,29505308.67073626,28595533.42386645,8721685.23412415,19863236.06903014,13887775.80650362,23360972.30503029,23486674.62394737,14151468.65762269,14562536.84979545,41613851.19397757,63891185.48998813,48674038.67664973,28427034.66257213,11264690.7585006,32891285.65765308,28936194.89447307,23892086.85223839,25853513.07700757,9339689.031860428,62533638.62905312,14913692.44659011,47601034.94735351,20021760.66923885,58286191.24053353,4189206.061491257,13901854.55516913,24189268.30297681,29259894.05795478,29983014.10509147,48086468.83320899,59214040.60337114,10299433.93078579,44890824.73105419,11289697.89362479,52032777.53556959,41214779.53518823,3418344.606683369,10348941.81005478,27382761.1244216,30119473.41254349,16401420.37962989,25263629.76622262,30006294.76302285,10731746.52620004,31667839.10943337,33789707.97184389,21654047.90682437,44544474.7986014,46066017.04469708,37647149.52590898,47952046.06737534,28895990.3221078,41611100.97408112,31771406.88415581,2495013.174156233,26665672.6888837,26946590.80990184,25682062.76019542,29503435.84242975,28631664.7042583,28598802.65234353,26421696.09838576,29097168.95093192,33147675.10263826,25896196.97347275,29010537.0833804,27423708.15613368,28309922.19228098]
["Com_2739_pos","Butyryl fentanyl-d5","--","C23 H25 [2]H5 N2 O",355.27169,6.313,356.27905,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},1350674.26687106,659209.9369308072,886460.6595303838,785655.8485392507,593116.7318890247,819106.5505260313,714073.5511039213,2808569.848293811,626680.5450922509,1511559.723684945,707245.8019652858,406788.9219895594,575981.0221385454,968248.6407907902,841981.4402999639,495771.0435246843,478593.0011343593,220454.0311505107,290153.8290779614,16168240.53728204,69520797.50397034,43073856.66890968,4761957.194967059,13943679.26612956,13386508.37057815,527144.3859730271,2648158.582634314,51905837.34171057,38043884.18939763,26184883.90843462,29385890.27411446,9664485.394156208,982555.2091613706,1655816.347840554,42981908.25137235,1315421.444059986,47719453.22556052,2550851.411560737,1476292.569059853,86562087.8474508,602578.3472563716,345068.7503467317,470906.4146371685,781202.27207716,1381228.40934967,665422.7988852202,471897.1031874291,1240067.440818838,866654.4215056667,504256.1760087764,451258.8993081626,1001437.322717998,324436.0434535895,2439571.559072329,2256281.390871546,452306.6994864587,500359.168961346,2639027.236640762,6179227.16740718,4162761.281157047,3882644.6474373,5201096.372459597,4795702.699947102,4420670.248419199,3921182.978437861,4100303.529434021,2722804.559705465,3754495.126483823,4086887.046925385,3369503.47441484,3200396.002107282]
["Com_2806_pos","5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one","--","C18 H16 O5",294.08908,5.598,295.09647,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1214995.967428419,4089099.563531262,66771335.54294758,26705296.96046147,4086602.225109092,92815775.81124967,21949589.21512927,819846.4952441759,29599987.35286706,18433150.2518914,76473887.14188372,83742447.62966733,360588.9282466407,649940.8508857671,491575.3096842259,7011362.586066251,87516525.09710544,11535418.15897319,35644869.39158212,2190859.510446314,1414797.753969254,1841498.519296201,223709.95010803,1546003.77317108,306342.5923123943,69626393.68008414,156191.1438606838,2767708.640119815,2273247.180070003,2000334.598931369,417767.9352011425,662195.3335785355,570745.6805706,592389.5217781812,578631.9070830098,806395.6059557447,484150.0352100314,795274.8939351055,811892.8269186838,607900.6029544115,86056549.62636279,38677258.92287608,2439196.86365516,76831917.52446158,8123708.266454232,1254402.813459405,5490007.523846539,691288.6895650277,1419525.577480847,26195301.1919423,5335689.748318929,905703.7236129304,13144575.03701764,527261.0191733325,1470204.215533008,2513482.632613088,8457110.006060347,884379.4047179201,9211502.86521281,9807505.621170769,8470086.755097458,9821324.631481783,9100021.86311596,8268536.141581669,9774671.01133274,11630479.08207849,10489726.55662789,10334639.19251668,10564874.96737075,11153926.8205166,11320901.62879993]
["Com_2816_pos","Caffeine","Caffeine; 1,3,7-Trimethylxanthine","C8 H10 N4 O2",194.07901,1.482,195.08638,"cpd:C07481","map00232  Caffeine metabolism;map01100  Metabolic pathways","HMDB0001847","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","No results","Invalid mass","No match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",9261337.751560528,10973442.1747987,10054704.15451655,11191375.18671908,8117337.435694333,12243095.64828301,10774577.6251935,9314089.372445028,8320104.36762446,6462032.983923601,8712553.968239387,11973533.504288,4303130.55751959,6424733.946609913,6505458.761908583,9790488.243713723,15753616.37693909,7267690.469059246,9664571.764503166,32507957.73015806,57954109.48878585,35597518.96310635,5928987.633659174,66776687.62803391,14027248.82865225,10702683.51694979,7507904.510408661,88153545.09577839,76261260.49055563,31820166.71154699,6888080.875930705,7649962.373283532,8773710.005112145,6343030.961569562,9850469.956730103,7912417.386674803,7825523.404797679,6367762.117415089,8168307.974905768,8838565.366437463,11501785.52025526,10488778.6888947,4267048.678598751,13921346.75211374,9013014.946498508,8959451.302706065,8320392.28362094,8216285.903410204,9742275.373009063,11515084.69123874,5484020.920289003,6552189.038515647,5250795.904153463,6303395.008246155,6626295.149581396,5976047.537938347,8217818.975946083,13212983.04097937,13807772.6890185,13685461.15506555,11871473.99726031,13962899.18902888,14261526.47107434,14327888.21957572,12572283.2772312,11875885.76544478,16742565.24257225,13730121.33667359,11575587.47659564,13538096.45091194,14463068.32434818]
["Com_2942_pos","octadec-9-ynoic acid","--","C18 H32 O2",297.26611,7.678,298.27332,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No results",{"$nulls":4},72163394.84364787,79708035.89353794,36465925.68344581,53614313.72609954,53477265.31798867,63018638.06664238,36049066.54300624,63157891.66584344,44236631.18434136,20439820.90967397,27633870.35781661,24239002.71469987,14913156.34917061,41465136.27798089,55399108.18894621,79377678.34824324,28726477.92097122,48646221.12848021,45038315.11472486,47917178.19881305,38409508.81372804,24935462.91372419,38501968.24716275,48499534.3326719,21506199.96733541,24581515.58721973,31385834.78010729,24357436.46601292,25871149.99941179,31614794.51019174,48733896.40285167,45812524.02220292,63880515.94293655,40157398.02164606,34758634.46225817,41059712.84794696,35139389.30286501,53908991.99590199,64478545.71919927,28281340.46337279,45025466.54640458,30862588.78732515,47329214.86538722,46622145.00927103,41042266.98460133,73138444.58237882,83545870.60004677,59010145.5541601,46903810.01755845,21215124.89308898,56932745.39291319,42933943.26276175,32714102.45640082,75146506.88268639,46979857.55157675,85141879.35573566,42075854.40658659,27750194.23845402,52029419.1260341,60686579.58618424,37655472.6808352,48652890.09373252,34614916.73267581,40536344.99096461,51151323.60164934,36195609.50100797,35926947.84654132,43224405.71244532,50963823.79530259,39760313.12829516,51109839.71773709]
["Com_2993_pos","methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate","--","C8 H12 O5",205.095,1.303,206.10231,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},25089773.64752348,18490227.92611616,28429364.70776975,22111655.8016766,12919458.08106621,15312874.00347138,27689749.8579912,28917106.406495,22396235.30078458,47860143.32536278,21392704.6494124,38558353.41051719,46557964.62040334,12854947.77753992,16774211.47716002,27460750.28135082,25659689.53470021,16460566.82235592,23607400.61043552,21000571.19800222,9352180.56055132,68947253.24381766,8765084.051437007,35742748.27131379,13937204.38411735,23645003.06304953,8454621.206999062,56630134.16807705,35078892.07691412,8600415.99978624,8392191.591145383,20381607.48599453,10166669.55863425,12929516.57961552,11829005.70551116,17404420.66711779,10414240.2690714,7408452.628869943,19778869.57498652,22787933.58868484,7891695.898766074,16460248.05795571,19556794.18513881,31075394.72510697,17190124.56171283,21027234.57994834,17284875.97353285,21324553.23859336,25402848.08052268,28785460.34916109,18945121.44138279,15212102.71067163,22423957.15929661,8980086.288994428,16615472.17055147,14023369.47148274,18725707.7179762,25578674.65292992,13073470.6330452,14024228.00777216,11394881.05419812,8967020.324370649,10575206.93938156,9799824.560998425,10371609.23521576,9015188.583687184,8905856.318600716,8543032.217227796,9457012.638265856,7462953.518376199,8283053.337421918]
["Com_3110_pos","N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide","--","C18 H29 N O3",329.19511,5.125,330.20227,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},5114750.207959816,12928714.71034727,12518184.8641513,23353858.35577135,7664118.750591571,18264506.1129886,18592614.75442111,4400383.094587331,15486624.06042244,65468329.92186608,13251137.47953753,23354523.97811339,56953594.64082915,5523483.832109028,8448288.831341237,11818505.54419445,19716510.77156472,12746786.78657393,23867251.43905159,23676869.93129749,36949044.48433236,25268834.92367984,20968169.12412129,16552281.65141648,23410197.81925836,25144542.98656312,15018847.79149424,20899910.17327362,26119005.10744083,22626378.3422012,30724011.71024897,13730292.56310256,3295932.221910343,11407772.4321079,39718484.83777029,10447030.48696874,21597720.39163896,7157696.266336259,6079100.340280561,10069430.99848012,37040445.16097163,16563328.97888042,9592412.307082895,59311844.35281871,14775199.69632718,6956623.642769449,7756045.113249857,5451387.079984679,14039890.40653022,9822274.134462249,11682806.15358119,6553660.186842196,14532158.75358611,4434470.103903735,4122570.932296233,9349918.2608874,13916034.20521021,4069761.318613055,9357933.06583234,9058557.25362216,14256950.77693317,10399774.03076503,8100563.55687898,8827147.100163365,8677700.849271791,9168857.317556068,9439011.44372577,9083752.993995013,10418853.48216439,9603641.17729912,10819709.65241329]
["Com_3153_pos","Tetrahydrocortisone","Tetrahydrocortisone; Urocortisone","C21 H32 O5",346.21384,6.071,347.22104,"cpd:C05470","map00140  Steroid hormone biosynthesis","HMDB0000903","LMST02030098","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Invalid mass","No match","No match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","21-hydroxysteroids",1374685.965131749,6168570.346841205,6259490.392461122,12121720.60397433,1690943.170452606,10207357.06664083,5116378.667440088,525079.765669995,8922376.876609463,4848013.10102145,6276211.937019613,7850562.887693761,940979.854326506,559240.1683306884,783410.6602843279,3406628.244628527,6251023.332018313,2739421.868891591,6885636.365485355,2251153.078558112,46643102.52814659,2369052.394183941,14235960.38888831,26091762.05881841,13904270.42668599,31259497.02030407,1234882.178418087,27225265.92082224,3110699.961668248,1788568.318098936,56059697.83371143,17644610.93768734,2989921.467846931,9047148.5842398,84231003.97153603,1069517.899184786,2839323.942863698,2581240.541505112,2929026.631838758,6762213.855617696,17664701.66955448,4318318.3729432,1110310.002308847,14454028.0517765,8672580.295444515,1183708.133662884,8085136.289848033,2017553.803282436,1042148.953442626,53397710.06692912,3265098.037160923,1252480.871364738,73247022.9017747,1917490.147843882,1138183.232179944,1549177.949908817,1928420.616674125,639823.5938296245,4721515.99525089,4278972.601289941,5239941.940925151,4417607.320555684,5507598.902623482,4072434.758571752,3271440.496609327,6129352.368968274,5355995.869918268,6147474.044859006,6623715.56779647,4133113.759969801,5632527.231981459]
["Com_3199_pos","Hydroxyprogesterone caproate","Hydroxyprogesterone caproate; Primolut depot; 17alpha-Caproyloxypregn-4-ene-3,20-dione","C27 H40 O4",428.29219,6.261,429.29965,"cpd:C08148","--","HMDB0001830","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","--","--","--","Full match","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Gluco/mineralocorticoids, progestogins and derivatives",5172072.855239953,18787023.53999312,42525996.58937167,68950432.06772234,9531659.546900231,78381360.71613128,22978635.171385,1126376.165675795,27516804.88291459,20027830.51830192,39699895.71290387,32027922.88414984,820220.776424415,1092845.213882825,858668.848422318,20215056.11692329,86894577.33300683,13599278.86321662,21158572.80430745,14783378.37388769,30482688.2809842,25802237.51667045,2752234.15862146,16432255.15303108,6582228.836335087,27858971.14973786,3739384.624025974,34376073.94956174,21997727.06489795,19938616.81511186,18459211.7878584,14574021.85093408,4284249.293412545,5741388.326440239,49025535.82571408,3680925.943007805,35168150.35080264,5775142.095073615,3214867.221162548,20084529.23035027,75630174.80200477,30812969.85189081,3335010.520119766,100453647.4700357,31678947.5963156,2235060.694800078,37634650.71181698,4894741.433995274,1925474.86693302,10267266.98156834,7213062.132885179,5069478.263448331,17383580.16183125,1292531.879114041,2559413.145119445,5014007.978163549,4652742.546296392,3860735.632178615,17164204.7620716,19185605.40639688,13266419.25207442,14913561.36207978,11419226.06030368,15114284.15952981,15595136.06701205,17720009.01777249,11310902.74118756,11402267.53601372,14360460.49659013,11715677.10092075,12209849.4337398]
["Com_3239_pos","9-Oxo-ODE","--","C18 H30 O3",294.21894,8.285,295.22641,"--","--","HMDB0004669","--","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","--","--","--","Full match","Partial match","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",12948497.47091374,7937392.110367729,17603206.85699048,6357761.262826021,8722378.20633275,22504109.92094073,41989772.56476174,18787372.28641634,8709090.58883262,9058599.980169095,7092219.140405013,33728818.66886596,61317454.34032305,4543091.836254721,13670448.66900059,5530059.23312997,7267990.816088386,8512722.706687283,8185526.535812029,14277980.45956055,8321897.856444851,8836479.50782714,6840998.61360187,76270126.49095872,10771363.22732751,13151906.06182052,22581860.29227765,8870937.947737778,18632333.92234852,6009995.299311507,11117736.78014477,7246499.370288414,20670681.06856744,39981579.19908771,4084871.162889851,11935131.44856,3689087.929946874,5308855.485220552,7180487.041202364,4206069.371052094,21815478.68296419,16476518.21704418,44759458.12691093,5814242.738557966,9423706.209141668,9850084.250281649,28884346.9574177,9856154.254610077,6784743.755585125,19401417.5178665,4660426.649589547,15341201.93585964,38045861.25295074,3109308.831232494,2629524.704670276,11309145.53199271,21895904.37595053,3362735.773933531,5156324.69240435,4082903.866835793,8748167.64296766,5935161.292294175,4826353.148822832,6649236.626004194,5069876.904042616,6637908.595101565,6699417.10245566,7164914.529602001,4921729.782871847,5092540.871807141,6215417.127324806]
["Com_3317_pos","3,14-dihydro-15-keto-tetranor Prostaglandin E2","--","C16 H26 O5",280.16731,5.776,281.17459,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Cyclopentanols",2643541.205794314,6812777.258158936,40664219.36987466,26601262.95722101,5117498.94157262,59813756.35597926,19361337.66674346,2156670.619470935,16566835.92363423,20948831.79083598,53837304.77027916,68169580.32682091,9762484.16180518,1838531.441890537,1748174.515098792,7164472.878573428,60092612.55843544,10211659.03033488,25512935.41157462,20855742.20740154,29756209.14612865,25187823.43006933,5150484.21040731,31371972.37247838,8246363.657809146,57585742.89619664,5990096.800367591,32674253.70692706,26529950.28796472,23271762.40452789,25470924.32393539,18616294.93995819,3537519.30526682,6206353.095905161,27567900.39045243,3684457.576484375,29958036.90046111,5146905.008090763,4314818.489972686,18083968.45526813,67490974.8015039,16031016.7225932,5810698.923857786,49850986.68847646,7066752.749056112,2162613.765018072,16549060.78127031,1971643.438826859,3165315.393563191,19205558.70206998,6427911.00002026,2731552.622885649,14536162.54171687,1989872.905533085,3873852.015307782,3081551.125967507,9946334.0930617,2596024.215333514,11272702.7685488,9882932.943225477,9198693.605292777,9457533.096598856,9352464.607892891,9176649.05343377,8114074.056442166,8867604.171697026,9511747.909619162,10088350.25813695,12081509.0920059,11462910.63559364,10441635.34595776]
["Com_3415_pos","mesaconic acid","Mesaconate; 2-Methylfumarate; Mesaconic acid; Methylfumaric acid; (E)-2-Methyl-2-butenedioic acid","C5 H6 O4",130.02668,2.016,131.03394,"cpd:C01732","map00630  Glyoxylate and dicarboxylate metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism","HMDB0000749","LMFA01170116","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Methyl-branched fatty acids",6322224.765512786,29122688.07194667,14458135.81531509,21749453.33497382,10247841.15528414,20796226.23133921,19058618.20725043,6705579.693879585,12429692.67214763,13438573.0483257,30566460.19750027,48727838.61051305,3116330.264822332,5245376.40089999,4434326.928386468,10452566.29296277,29745723.70263623,28665001.73737005,54120119.76258694,12664448.1879581,7963655.36237134,11657510.35262562,3317535.096826285,17048185.76633175,5804067.915822445,55301764.94102126,3122803.512561906,7556799.263464152,13574376.39399492,12578119.52493102,15776858.55085533,9790186.9739996,5288919.934501285,4908627.042949849,10641472.53375475,5163642.975816212,12662521.42343228,5299117.246948821,4884044.356265021,12196332.68992906,32821261.32699776,18374995.59748551,4454758.090478958,95170140.798821,14726747.55722284,14144290.44508722,10573580.73279078,6833755.033941588,7425300.108562159,65944129.26882418,9729450.000831254,6782066.985956627,19220982.87481315,4737292.544964239,5838343.801863655,11544825.23450958,15252291.45319173,7492570.12931989,8696603.14829169,7890561.657975815,8668256.681685964,8353692.208564035,7834398.82453525,9251901.327762775,8524325.396379897,9555616.643087707,7967993.360867727,8424691.874094017,8508006.89158857,7941179.043636935,8972846.491687443]
["Com_3503_pos","PC (14:1e/2:0)","--","C24 H48 N O7 P",493.31608,8.615,494.32367,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",16809484.45236979,2587831.440124609,7436869.099268035,3462931.043841421,7470743.448184125,251400.1581486337,42656838.71074532,60199541.21947423,4544006.612835537,17480461.23411907,1700450.069805226,1634827.966388079,55553419.72997905,5925539.25608622,10630872.5345804,7183685.288224328,911498.3709432998,3645265.352020634,16380876.76774194,11315799.95390068,2655088.746608057,12493165.13414422,572308.6006140416,19000569.95511692,886445.1210106552,15304134.94506055,753027.7754821824,4662012.836577961,1569029.079238575,1634717.891805459,2663723.202352961,7357842.029022215,13282980.43790159,21614343.06272704,3382200.396523346,2874352.15951451,2433911.997614885,5884862.588084416,39233831.67637718,3841211.173048184,31327676.13706433,7107813.18511496,17298582.34156987,22372371.17326476,12755301.11768391,5847396.259021222,10400764.42379735,24191542.07037577,14717031.70457917,17113013.2059875,8501806.75321181,9604657.190974638,12306361.17012217,3921749.744480353,8249534.785186638,20983892.1487222,7843028.358321912,55664770.38011306,17356362.9591199,11718294.14641238,10567692.98556961,11892949.87369799,11799410.77609987,8059879.388979514,10236210.73373199,8040545.122459883,9993014.408924667,6736051.328948344,9394250.545805097,5848843.063135907,7453249.173695214]
["Com_3527_pos","ACar 20:4","--","C27 H46 N O4",447.33412,7.118,448.34137,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",50170261.72194262,5004526.287324731,13801666.35237114,356065.4657506474,12521969.86362263,397090.550184503,14207788.33066572,34249015.53608852,4613967.677754959,8840532.638514323,1845436.28200603,5732407.505199523,9181840.994661927,15004432.36100973,13870341.50605752,2768205.208437706,1290849.238253952,4947926.291128782,1411876.354859679,9569935.736230103,9054747.813971289,10798562.7014297,17139609.66076008,8951138.585086029,8894837.690114792,7415923.138334834,20676289.70864497,1926331.650474344,5056115.241554064,10942540.8489067,5117123.548436269,24197320.02050585,40918375.94283485,19496187.28350032,7851537.784231758,17910873.11391209,3822213.169085262,11130268.2757286,15514124.19088443,9668148.421138505,439158.7911084353,435525.5239711509,13744827.58112055,978214.4048210796,22275945.5180774,11755751.42963161,34667410.3594373,16741226.31730089,17295235.85502459,30985274.65286332,14854936.01809831,53238671.15623753,22848053.85595132,26123774.15153902,27550134.98591243,20985626.98207828,17993904.8038831,47353748.99863922,41728439.9577401,31020352.3816058,35726207.77633148,31480233.5305225,33070698.24814596,23825137.39758381,25074847.57429769,21836032.77965449,24526596.02296569,20921188.40442389,22951460.32739754,29027790.32052136,23058523.13624384]
["Com_3566_pos","ethyl 2-{[(1-methyl-3-propyl-1H-pyrazol-4-yl)carbonyl]amino}acetate","--","C12 H19 N3 O3",253.14278,5.199,254.15007,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},682718.5382219037,911113.9192454052,8299870.586295925,4660625.337564423,539229.9858903588,8450321.653252028,1481822.728107949,562101.1206570009,2801895.262202247,3216837.205182974,7366825.601979972,8484284.332421834,697536.6910192044,690043.7468881556,687925.6492098569,752416.625857327,12561017.9167439,943837.0367102714,3072664.994123236,20394931.31169021,21977482.34995341,55523652.52273328,2228345.639603924,36937124.74046779,12400098.83923459,21262035.90361452,3683733.28783565,65691568.27911022,38790655.56370399,31309204.49214465,29491191.51317075,15269998.47660949,3865623.175597548,1115206.341497575,24259357.18983305,1546754.820373301,25682369.55311588,4880577.653511037,2941069.939551174,60411394.4319983,48107458.19446371,2645985.949737026,487306.2149140368,5207935.058932932,912446.5987858572,557243.1683685707,1123932.853597211,686513.4997402412,538622.4315333413,1562998.477344557,636722.3412558223,518598.5633158286,1499271.446338597,633065.9188861041,545472.0955699752,574975.7154651894,967500.967167694,650874.3012528607,6162816.53739257,6638692.151981288,6427658.979338805,5728225.755348976,5665572.57322668,6562886.505701138,5732930.021601571,6625036.834463951,6050273.463175182,6272549.965004123,6197983.550083976,6387519.358960279,5787030.879154299]
["Com_3632_pos","Hecogenin","Hecogenin","C27 H42 O4",430.3075,6.447,431.31494,"cpd:C08902","--","HMDB0038824","LMST01080014","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Sterol Lipids [ST]","Sterols [ST01]","Spirostanols and derivatives [ST0108]","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",4155151.590617179,11391052.64095466,49669555.73413625,58971436.16825438,10250560.07484624,69937231.5688675,8449233.527175324,2104676.469066113,23294054.96533312,21000114.94124855,42427271.13953733,29828517.6450799,1070398.354490029,1061229.833699558,1493689.672225814,16724325.03748408,74264044.26171163,13295382.83550416,23798078.86930548,4935177.532024565,8287579.837499038,8458345.86042055,1705966.534603551,8403660.139280926,3025613.564985092,28341488.7230932,1712689.54966218,12732799.6248064,6614861.550026379,8553257.284121023,9734517.103458008,10151600.89634824,958505.8545667168,1498807.248885275,38229386.56502853,1248493.417237049,17471188.79361369,3112380.592853214,1732940.722656669,7407440.403752631,57571390.60000437,32670111.73779326,2115874.117324959,91931055.61617488,21016687.51825254,3112976.988834685,25965809.95610263,1290401.101137711,3033503.405008382,11260111.78842129,3534744.703596916,1228997.351118847,12167183.30577282,935183.742344004,1320958.639385552,4329741.344411353,3438956.611713611,6039409.908418356,12496862.6798686,14732904.53179501,10785090.11479504,11422719.91422401,9639037.728099223,8531877.996070435,12511544.35174498,11542747.83567286,9015120.613436537,11632985.26814659,10295867.24563628,10994939.69004714,11010568.56750906]
["Com_3743_pos","KMH","--","C17 H30 N6 O4 S",828.4224,5.153,415.21848,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},5553455.481949653,9268314.966375023,4295927.145654014,11921600.50166625,5293195.353313788,3190155.384371385,5644502.141774546,3822489.395389726,5950436.441581251,15766910.72094938,5759887.854039221,4915284.929845681,15641531.00866495,10026015.28163373,8996868.97018495,11978440.93341621,4689947.175197504,7932225.616855687,5551946.852056965,9920552.132546494,11105461.30726,7285864.754765139,25816604.29752092,7903380.130027602,47659020.76913669,4616878.186501965,19412267.94940312,8913209.203474501,9011160.8388593,7147806.722833039,12980436.4813932,8488082.157155875,4773129.650364364,10504809.62705022,9119264.205855925,9367963.464095522,7659102.721871728,11320705.88032652,8728587.45516652,7580857.368590505,6038340.090488246,4925147.299178303,6861533.030715602,5346849.525410887,6022891.936293527,4773178.680324856,4215088.329806181,4174781.071790715,5859996.661333559,5849443.546747307,10312456.64955037,5908326.576348,7770605.409729141,6608228.742760416,4672301.624210233,9704861.278757716,7488612.586231583,3236321.559356879,5878097.54823629,4868144.199474328,4819138.218957845,4984401.211578307,5250263.011042647,4717542.627348453,4346000.712902274,5116062.690991406,4899149.732131228,4560234.216314645,7413422.983781142,5878857.421878505,5688628.781872708]
["Com_3746_pos","AMK","--","C14 H28 N4 O4 S",330.17941,4.796,331.18671,"--","--","HMDB0062497","--","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","--","--","--","Invalid mass","No results","No results",{"$nulls":4},7863232.871462657,8844055.075552639,31747793.53555468,22960698.54056948,7769323.211159632,49853394.9286294,14062295.63576598,7113092.569938145,12282992.7773238,30614963.67646846,26925380.40608862,60819397.28032553,29990664.62336121,7511710.166205726,7279881.355266607,10846704.08271846,40452551.84012943,10648412.05710273,15640113.87231535,23704047.47554383,35798481.14847834,40138491.92312408,11917204.97441065,20932709.59774479,40124529.05744243,49193717.98645077,11797590.72221768,33132706.58853554,32644544.86896194,20092692.71762807,23716456.0504474,11453009.70397096,8389346.800190993,7062693.052492362,37849565.70913953,7817208.782708664,44664243.56750304,7994643.979810935,7690638.903253977,24324411.45258936,61908880.87321974,17831781.45078804,8268516.085057499,31546623.60392334,13484347.56279356,5540310.015964266,10694813.79344565,7055460.488006542,5885914.255674531,14425454.87072002,9210739.136182709,6024661.469475181,12557446.35288505,7458945.111571004,5534557.821997276,7035401.704827745,8895900.39309928,5171214.866867371,10713595.6850832,11917872.90633994,9443985.026993262,12421395.01712892,10535340.29647138,10525020.68786024,11845469.9532335,10238621.6328799,10143908.01073482,11024711.38181255,12790600.31704209,11925999.41649556,11392230.29804041]
["Com_3817_pos","2,3-Dinor-8-epi-prostaglandin F2α","--","C18 H30 O5",348.19362,5.608,349.20081,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",3325343.850715249,5681368.905943897,17059870.37958329,20000348.24256705,5850969.499211336,93574546.57883896,7826790.612419803,1596040.77897139,9044856.437207282,11633923.72706439,21987379.09415397,16540380.20407099,1233339.459766046,1312098.310140162,1302531.196743299,6470271.87760774,26035359.35662409,4960788.091508219,6752471.346577909,4651792.009447657,4915819.212625288,7187611.610776972,591221.6308316485,6088391.903795493,2626640.909971462,12429935.38902936,507674.1951454913,9815304.232345538,8319705.900045029,5983849.905929699,5221683.504544714,2304522.332973513,1339937.696154865,1153237.635676844,5472188.502480924,1638083.0400898,6118462.063601417,1712590.700762443,1667278.951090729,9765967.88543029,20907664.42759745,8576311.924060876,1711570.980629394,16321877.73305589,8426876.798765067,1713498.799760535,13238744.93120954,1377922.372498379,2271734.501861286,8641287.06301047,2304180.027985257,1227384.758146376,4819926.789563378,1262037.332591502,2943728.743054486,1278708.204931385,2520279.205833697,1862528.462484945,3675249.7913621,4299869.086932048,3845693.999830965,3444300.452921931,3430816.021134513,3326726.885474761,4447719.482687768,5153095.422273067,4822780.981170707,3653322.499778552,4397404.353713806,4574269.430381146,4440405.004003933]
["Com_3842_pos","1-Acetylimidazole","--","C5 H6 N2 O",110.04803,1.333,111.05517,"--","--","HMDB0243814","--","Organoheterocyclic compounds","Azoles","Imidazoles","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Azoles","Imidazoles","Carbonylimidazoles",43950081.01398578,101055445.6005591,29033609.80560236,51063597.93254525,54392460.61238472,12329524.44685133,82094339.83748734,43288614.76883382,42651363.76511917,33369770.15318056,16464034.41724806,7293979.169449638,22572979.78487466,48079371.05797476,44727994.29123617,100167523.6640233,19225750.41586108,49398300.27821071,42358050.49737053,26282427.79237793,26421147.58229322,14059407.77035582,26363247.79051898,33006075.66657292,29926811.75627692,11503744.25995181,27356881.90941096,19273161.10632546,17717822.29842384,32991789.72974573,24358811.14037212,45431739.18518244,35081925.90815845,70868778.48084015,22966139.30858428,53742557.33938865,26577779.54512523,58484558.68858603,61503519.35273095,19170630.83413919,8633069.612130199,44032415.43884672,41982158.74158651,33775778.03736799,52549045.97611127,54499189.08361921,29758223.8477973,39581464.29532005,80500202.69807276,93851275.63791856,82805317.2584697,34295531.87954039,32455061.18262018,31637475.93065259,113419002.1787481,38595287.81942999,66825435.01517837,70890039.28724025,21285584.0526614,23235333.51178233,23700783.57384364,23471212.61552701,23771697.2533268,28119237.28969492,22664874.30739634,24495613.74828005,21758184.33564318,23877551.58918668,34458845.88247704,25821390.81736884,20486687.38067429]
["Com_3991_pos","4-(acetylamino)phenyl 3-chlorobenzoate","--","C15 H12 Cl N O3",311.03077,1.563,312.03812,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},51038292.20735525,6245775.854955295,3132024.507032659,1355270.373218476,23468522.75601704,1013257.473202499,4791267.07572524,97542363.46270178,1815158.301121828,1019895.396082652,913624.3434507756,920550.3415160148,1265679.032180135,3815526.620817761,5122177.329876647,19660164.13757052,1207821.038205796,1762716.375182355,6411369.719180534,1087376.15641347,1171863.507655367,1978663.179414348,1164364.990250174,1517579.237592322,1120496.594673737,1235395.514287199,2083526.643832729,1905649.036953721,1565351.486313089,1665450.853762625,1355289.631618216,5470811.52756137,4853541.041687104,2753567.027925347,2150426.729225101,3043359.107307884,1848495.752159561,1238036.246307443,16609519.50219201,2688854.393411886,1396456.145585275,2309675.199001417,19820274.49534964,1347677.036113262,16759976.99059852,11980047.74577425,49795871.74245419,22033225.49603448,11672101.02989352,51295792.35626115,13010849.40678104,3815220.715164021,3952063.816891465,7703017.274481919,42238310.72593507,10398373.24344533,7159770.916430808,77372787.93420044,2710709.60223966,3548660.22842988,2975067.759768686,3224263.834607585,2731020.050856186,2750837.002437809,2681325.102421041,2946295.836986423,2686121.962340373,3396517.825125397,2085988.058547047,2517021.214151047,2906303.530368772]
["Com_4004_pos","GKK","--","C14 H29 N5 O4",165.6109,1.033,166.61818,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},4875443.073507616,11886066.10581039,1759298.32987662,5958451.433376653,4973829.379906469,1670132.044177213,3839235.287661512,2651586.385962393,6674032.651980911,17103506.84235337,5070100.704047585,2147824.975622054,25192391.1993158,9559934.695453782,8837699.30121377,17591674.47725068,977271.1046117714,9613126.57299104,4305980.344550234,11695414.57870652,11665795.46853195,5567804.123462622,32447376.15429864,10702172.11154677,23870049.57912492,2213474.513063142,41247182.03068442,1932018.095723249,8049536.565464104,7655909.51806769,11097617.20070294,7425681.057702955,2980338.486532818,5362600.141128533,8143583.601506854,7636419.891462254,8017039.072705924,9423994.78550346,8427527.96633535,2129848.83422853,1234754.176505082,3836882.504218057,6287702.217587049,2632818.566762174,5045053.890472453,3856561.134555916,3665010.730423111,5995888.082380057,5877154.167286851,2232115.24355729,8493923.00977609,2777079.705482292,6105657.342979127,4460522.166790033,3895927.850479408,6948765.378874427,5879669.279584119,1212043.9487607,6881794.09256277,6579731.801295067,7752322.898408526,7913549.242999982,6903143.223041994,7776184.649331775,7330703.561917549,7629405.652535971,6223462.908581504,8154014.045388229,6487976.526484259,7317391.088941433,8202332.955278426]
["Com_4023_pos","Prostaglandin E2-1-glyceryl ester","--","C23 H38 O7",443.28821,5.799,444.29559,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",690128.6842735546,3618166.768514041,7970601.287149559,9839754.972250164,2034245.911575032,12178532.98433476,2373477.655877755,528159.9104369024,4990964.595690043,3286619.830423468,8978972.334048418,3699582.874768602,528861.4444243516,390101.9488232826,367112.7326512458,3561068.942726148,14941426.59340412,2491767.592561399,3338451.665704101,7421096.072634982,9438296.338909516,13770839.79226859,1140775.330680901,10153477.12777184,3551485.497375596,4434618.971396605,1330903.657617365,8678412.34384625,10042442.97888102,7739361.781480309,11163866.75557695,6073052.318597235,742246.1229618652,1471753.815914185,25965166.51201194,600681.9791062899,56988810.47743201,1439790.03052277,902480.6678173488,10172485.17579376,13043655.11435817,5433677.309923124,760749.909211148,17195567.69830282,4438974.509607666,576163.6958391325,8658401.221812537,515342.0249451689,641036.2290212618,1857441.957337052,1048812.816978447,554686.3664211774,4326829.52770011,370611.5760546082,867441.9432237351,723431.5418678914,1384638.783284449,693633.5210104708,2052603.18790078,2502058.153016492,2335044.281355446,2272067.557127646,2331155.684718722,2399523.641346637,2368989.469579904,2138439.499337958,2557259.88980454,2059533.230274512,3087493.38940264,1405268.643079878,2638500.988599625]
["Com_4091_pos","3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","--","C18 H27 N O4",321.19438,5.2,322.20178,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},905224.278310134,1304156.644950088,29208181.40537711,8861402.506112091,1070827.439903344,26537085.84247952,5017863.144691939,745296.2718857189,7009393.948311924,3718604.299138042,40428456.70061548,47280305.97805108,1132282.157346366,914936.8558324171,912128.4460194636,2394440.067559838,43723928.96533397,2091072.584612384,6607904.671867594,1015965.518850517,2295846.93304894,3129328.579739107,2933476.213529435,2039735.801427974,1450397.844711099,44276232.22846478,2051479.812254565,4598258.24158238,2593854.174742821,1445824.844668796,1830545.163275703,967980.664746472,893397.7415078004,829547.6576922828,2571677.50049274,843933.183388819,2351260.545271542,1155139.808874478,960702.5399726108,2630719.441055712,51328950.89052658,10358854.80537004,872605.9237897847,18506741.99542143,1795789.849634667,738855.0576690768,1374218.215238562,846553.4354803456,902112.7612963584,3305026.636185159,1026219.242786637,950595.6901107508,2587594.101003849,839389.3053481923,723247.6583053556,851960.148117357,2429548.323623758,553031.1288129472,2618393.56795169,3889359.228063803,2117299.738257089,2436992.271446975,2505405.888646492,2719871.497771665,2475163.753972889,2577291.67501767,2544998.835544314,2922811.160426417,2999648.577512075,2685336.555930221,2730619.785250781]
["Com_4140_pos","4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione","--","C14 H14 N2 O3",258.10059,4.948,259.10782,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},865232.3093915702,1057505.919282507,8421025.443790909,3660982.024248393,823755.6818618198,37717165.90383451,6535032.729173728,540612.6961304488,2671517.166943282,1629158.895640111,57852781.71291155,16604008.84370293,787024.3374797258,857467.9232491266,938415.1485539044,1291012.015469234,12672170.95711554,2177140.888835791,4455204.231513812,605412.2474205345,931438.2104292891,1366987.171784961,812810.1361114113,1058692.726980253,767160.6747306274,8329834.1694982,744252.361674763,2725436.203453962,886173.0800094849,1017913.783991998,732675.6859371318,553536.3161381786,533442.6916641914,635815.2914258216,1586486.670497459,669417.1507057078,528030.7515342106,858030.4672151747,678778.1155924781,1778100.615447213,14427479.85635318,3733853.598837859,628017.2675772142,6296712.623922835,578408.4668107687,450371.4582138245,594313.9397144667,588894.8004737578,585021.779007185,1898445.06859535,862048.3100850325,671958.039556789,1568220.089348169,760420.8501499556,573664.3377197114,686410.5677319894,1368670.104767172,611827.5714036492,1561105.83008426,1847253.936839889,1785316.381781635,1764811.500618176,2210198.155891276,1988515.680468334,1177426.809387278,1429921.932180966,1406990.870581066,1873695.470292233,2398474.718238514,1811816.941871332,1290530.935723368]
["Com_4163_pos","[5-(2-thienyl)-3-isoxazolyl]methanol","--","C8 H7 N O2 S",181.01969,1.417,182.02693,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},3068908.639439398,2768573.703753584,18005591.95570843,3246334.154554094,2578658.012690653,14997978.33672802,3008285.885852207,3287372.02455589,3686991.483480955,6938795.365084932,15910735.52394191,45691135.55983951,1747096.209774958,2405984.955828353,2141788.754631578,3343619.393859665,24351538.94369436,2454907.497456091,6471338.373936191,14764373.15707575,12129288.9477476,40667444.80428131,1676843.636574938,17897601.33121988,7947560.761164194,26657234.48142297,2167561.30051847,55136085.24402319,29365003.90116753,22912903.50169729,18777117.17394176,10133758.17678794,2790428.707569228,2356435.637293118,16459322.30091263,2810419.770431582,15101752.01633911,4472128.704342674,3108404.575737251,21276157.94197433,50221835.67507581,8390171.984963285,2298135.778319791,15230726.97063271,2359076.344712534,3665656.511887165,2509405.799006689,3439917.797823282,3210081.757358728,3377333.124014072,2463398.199607785,2543452.1968532,2266211.222779867,3620512.909444963,3558917.900969929,3026166.491995286,5374361.454893234,4542630.029110256,4582327.63946333,4499229.21345392,5323667.261344117,5249806.074624233,5029815.150630042,5782590.630677659,5148957.836833484,4555637.478968349,4402179.630664774,5049457.955954408,5462104.230441285,5566224.936249521,5552215.844223312]
["Com_4219_pos","N-Acetylglucosamine 1-phosphate","--","C8 H16 N O9 P",301.05592,1.527,302.06329,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},34805164.43544813,20806696.14220974,5457505.182695122,3119537.970099969,19857314.57651697,4016579.200883985,7728011.019257255,91485151.56180152,5980528.559142933,4751322.236199883,3253514.761240454,5038140.488689273,34801631.69149286,17276435.53244597,26582188.23174397,13179759.13017285,6710275.485086627,7255455.526395458,5157061.40384784,3156063.474771705,3509275.386796164,5505986.278655578,5834233.541260689,4537228.507319973,3133387.07365501,5524718.179021723,7246972.775437078,5511189.295512992,4126046.787133874,4936238.567010343,4612453.549771178,7964396.113502324,16395367.08941139,18846684.87051339,3861932.628450945,16736753.33661487,6118177.829404013,13087311.4590875,27581601.63052268,6210778.472295278,4494162.764765383,4063207.761815107,19240527.6344758,6456379.338968772,12966883.8788032,47710325.43509609,14103883.18233715,78875034.88734859,45426684.55657932,25338393.71862155,23182831.13806561,36558733.76531912,21213403.31742772,56728228.02641328,61859843.18464302,13367041.83527573,31271944.48246409,103222349.0352244,16951323.9422148,18207703.91542097,21158095.34423769,18985766.78202296,21071845.17829113,22915675.61472402,20858887.53978807,20588812.32460621,20724658.08326717,20127038.42915732,20301555.18668498,19127985.15473124,21620908.56041532]
["Com_4374_pos","PB-22 N-(4-Hydroxypentyl)-3-carboxyindole metabolite","--","C14 H17 N O3",247.12065,5.962,248.12794,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results","Organoheterocyclic compounds","Indoles and derivatives","Indolecarboxylic acids and derivatives","Indolecarboxylic acids and derivatives",325873.4459620068,331626.4765700817,1003050.338162598,541701.6035189384,209866.8793640182,2244967.855104854,477804.6482758997,226464.8448450645,446661.2651754837,413000.3703070118,2561476.076048057,2388947.628234302,220199.1630388059,191329.653728325,187307.8245530686,326871.7314588936,1854596.18256415,245081.2142985009,873759.7180122514,27584385.68961805,31940211.21006167,30441584.73988046,2654567.67206367,47980707.65250125,7940874.733624676,2262667.875107709,3177462.906484509,48034654.09643503,54149696.21213218,50504524.55257948,32936986.54398768,18183378.745504,2022052.733146782,1556419.729263104,21973878.65921859,3576991.78490631,28250451.97634379,6661963.563446389,3526912.51379679,34645208.66675123,2033144.139374323,490310.1787261162,281401.9972475623,1819437.002966812,271999.6326665018,209909.1460287214,345598.5389981172,539597.3022608039,307268.5454525242,244824.3268909788,417351.5258382406,193066.260770775,261983.6851936144,133542.2627003123,303938.2739756724,171673.7077810287,211766.229715844,302549.4303871588,4617397.53240309,4698352.57787078,3283176.101243004,4193716.107126766,4933449.815773014,4342129.997466019,4865603.691127465,7350784.569073589,4990957.911310516,4454655.544903994,6050250.221921262,4954025.96296989,5354558.164761272]
["Com_4489_pos","PC (14:0e/3:0)","--","C25 H52 N O7 P",509.34742,9.915,510.35468,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",42224753.65730025,5738482.758509822,40364395.3799257,383528.4738014254,67145372.14547831,138873.5725785027,67779009.6435244,59556871.05680104,44082714.66963533,20587009.53465295,7684656.262242051,9860168.711784584,16637883.58578909,14725387.98316143,33799173.0719782,13114247.98646501,1779594.853189818,9338169.166375391,20522456.56750348,23053273.61563818,269427.8456521023,3568733.008147867,6079817.01208969,23193830.93380779,15488419.84979163,2955036.876560406,5666111.889315617,104382.4957266251,111491.0384888411,2487684.626218527,560394.2770950898,6498704.054910559,14429897.49585427,63580453.06809816,1365859.574642797,7237359.179502664,46523.62753490538,10418760.11575496,51268573.38378101,90353.91363933824,837418.3623940314,9954524.644085724,25687129.5584095,17305539.8017738,44432278.46167653,19202547.98229341,31620274.55887904,32617219.52715909,34103523.387481,37711834.72846188,27934221.08553145,25257382.9318881,16066789.3850986,9758104.184206106,18355685.67219909,44675410.17673241,34587426.1907342,25576844.59980704,13470187.6304002,13194037.8138463,11568986.17349729,10994845.46793515,15584390.74956577,12083251.75801927,10436912.27616301,8973619.829894716,7515942.805213328,10138652.61748816,10208651.75576378,6543875.999779905,7212248.844908643]
["Com_4491_pos","LNH","--","C16 H26 N6 O5",365.17035,5.087,366.17746,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No match",{"$nulls":4},545803.3999335399,458249.2576466944,734667.0169173584,481761.9892050251,532728.4781795959,862849.5618347849,547595.2592807583,501154.8889383164,608800.7285500969,764907.5120001326,1852555.227897645,1603759.929855398,665706.7374028289,778182.7837609709,693052.3729207655,721384.2095463065,1284590.05857254,576846.0574792976,489793.5924118277,9477297.799840506,14128901.63460787,37267518.74793951,1321878.531260858,15012448.49028742,5139469.8693724,1530872.607096179,2439529.004425232,50051813.09963799,6309716.148127085,13792750.86321189,11829620.47638528,7249291.014793044,1291714.987379831,810767.9100967656,17588679.47770744,1046617.828033538,17994264.44750609,2726446.550003022,1178428.009390303,31074972.93552561,2738817.501942115,556459.4799332895,492146.4049888691,567804.40381817,581315.4120037254,662133.7342680178,554898.1021203572,593517.3849581963,751546.3812333826,402201.8587948763,723651.0522438976,631641.1087091578,378146.7246609963,720780.0014222716,552254.4880384571,585413.4897978379,542885.2975934893,359536.9418494957,2317797.01435115,3026599.911121959,2770583.034164622,2371922.692471172,2827476.179737302,2436156.457947085,2603195.532675252,2748419.258726061,2360705.830474946,3309680.670616362,2669231.78058962,2596788.516639005,3019696.873292456]
["Com_4544_pos","Cyclocytidine","Ancitabin hydrochloride; Cyclocytidine","C9 H11 N3 O4",225.07434,1.319,226.08218,"cpd:C13112","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Ethers","Alkyl aryl ethers",6111796.751241493,4405172.434788626,6724731.909857812,3474621.561956102,5914388.302766511,4170378.85771267,4455498.8778422,8222618.377214395,4892546.942290574,6765837.665552868,5938167.402240549,7403316.244641043,17552872.31658336,6374784.755004241,12150314.40046418,7561097.105075696,5036716.481697379,5449746.793200926,4368610.784834295,15647728.16160945,15772872.91805667,21981161.97610209,22669137.63963008,21666317.25404057,17645287.41132669,11624325.49121499,6627663.223927489,39681084.81183176,28799759.66949985,24934431.32914636,24927269.21060067,11599312.20694943,5072813.310403305,6539916.209609576,36654118.46518841,5573834.348196233,37289203.99073738,7595374.898771461,7797790.388091548,47117322.80205319,8542385.25633196,4575618.552054181,4912037.235255694,6338933.817332619,5733854.680612898,9919456.88435497,5033977.089154935,6845882.409292663,6465019.000628864,6643807.074240304,6099658.809206177,6179624.590260225,7920616.207633751,6349485.342133272,5886564.819422172,5586533.608222687,9019846.280866573,5789693.315178982,8142333.05927528,7252179.940272415,7748984.856431735,7047412.471055648,7340059.252646166,8347291.100693402,8015152.735929402,6752704.17224649,6833124.039405547,7677460.061200407,8168590.960079978,7956227.966419611,7896629.546057166]
["Com_4611_pos","5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol","--","C26 H36 O4",412.25805,7.772,413.26541,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},7082479.31494772,8177811.36539158,22801755.61159014,55934397.19124866,11187735.70569759,73801431.25867516,15622473.77091975,191096.1061222914,26718474.59824678,32588485.18153811,26964351.12292567,11387589.49700414,71785.21841662719,188880.3101859552,208922.7432245268,4029831.678297921,15666290.11494424,21971848.02401377,31917253.56441449,1305077.094403102,1018034.031133323,195451.4583305713,123503.266763039,468232.5559910035,1139176.916422787,22834821.80275619,51869.82718643618,606237.608415918,1116265.49442464,507632.3964736497,1317267.882204804,391773.4224914844,506815.108547625,492001.7800273254,2982060.713465644,352077.5073251579,2666481.467959264,421836.9957714396,685634.3247921352,531545.3213153399,36056311.18455152,42961222.92149438,664229.4612439718,32245815.06752183,11683539.19281033,474899.6405513899,35485626.94156396,232105.1704401495,855460.2347548046,6353322.83067913,528981.7730207368,222379.1583449308,1582633.371691585,118024.0500098151,942983.5981527764,1131077.714372607,1091845.279133073,464238.0248096179,7853837.04984525,7149200.690200153,8940831.97157766,11216169.70327348,13826627.6353811,10623460.17459026,11005541.05156459,8793891.733161043,10333310.45072473,9470328.234546838,9995176.93053701,11410707.09646401,9903655.758659575]
["Com_4806_pos","7,8-Dihydrobiopterin","7,8-Dihydrobiopterin; L-erythro-7,8-Dihydrobiopterin","C9 H13 N5 O3",239.10163,2.261,240.10883,"cpd:C02953","map00790  Folate biosynthesis","HMDB0247294","--","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","Biopterins and derivatives",3196925.648801036,3731875.207685141,2396685.731924698,3354966.825034628,7546499.323204625,1048288.377191023,4680300.776467704,3588699.376755588,7020483.091070585,2427095.609043097,1390219.081596746,912650.2394420692,1250117.003454001,9195699.874392956,7023027.394708234,4990547.378014759,2775014.071699875,4300322.794166572,2556812.060067872,21907219.29088822,16511144.71835622,29173307.90950819,10257527.31189691,17407836.51390339,13874033.79926557,1348791.387457806,6737688.989734406,23980961.74630954,30129947.90616201,15242703.85971201,23986307.43299321,9020060.397439994,8977304.017780937,7415235.662341254,35259643.45681565,7968598.252452292,45364685.03856354,9234309.17744997,7627219.963581641,24621128.79947044,733272.6004241155,3796494.436736229,2304938.855507124,4760123.175423169,9891157.542852793,16182384.30288627,3410180.73529642,11791206.04855516,5558986.004999162,2569558.907039425,6337627.957818479,17329240.17025,2673633.713090674,11609003.29291397,3556776.2578457,6886377.390853409,7945296.385519904,1127493.442507416,18099163.4386294,15002867.55232947,15215331.10935372,12849202.57784022,13631109.8106989,12960051.28157262,13709908.85003033,11113713.7376289,13040125.45113928,11441263.19892704,11411289.03557796,10900523.46308856,12940741.09941717]
["Com_4917_pos","Ethyl sorbate","--","C8 H12 O2",140.08126,1.198,141.08847,"--","--","HMDB0040463","LMFA07010882","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Short fatty esters [FA0710]","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty acid esters",34671626.80555724,45395577.71157944,20347537.51281126,62459982.8681143,34793691.62383238,62465877.34470489,25716651.13889697,29222216.50292629,25688563.66493291,13086361.18595348,15610423.43625479,17229808.99401991,11772234.23711742,23218653.52369072,15962308.5336942,36233842.35256518,12828704.43085458,29403911.12705645,38814101.79893621,28711500.03206592,35449289.37769596,12442632.3605418,13503720.48703228,15583169.5093283,17656330.54662881,9112887.274630876,9023122.7238398,16691581.02932763,28153110.03200372,29626174.77172863,29567964.50201989,31352800.49523253,21644442.8532974,23403589.53207158,33171725.31046488,21241997.97569025,23271403.55926309,26574417.2661685,20945694.98038238,15500661.83886629,30541962.27848598,26023932.09930861,33391067.96274354,49956576.40567019,46801437.88490308,28569087.47592345,71560006.49694338,22275834.77853205,47259064.77978035,49341624.42647469,36981079.60798539,28996204.97637941,13026200.31949076,16270050.20731379,37990459.81662213,25887440.93383488,20712905.77209762,54200069.03868531,23733625.5768064,25261285.00563894,22279970.67606442,10637655.68009127,20777553.34567337,10796917.12148154,17522039.20489445,20096354.56260244,15283823.19658833,16368511.68103944,19070155.27225355,15786566.90579757,15334109.60898192]
["Com_5024_pos","Bilirubin","Bilirubin","C33 H36 N4 O6",584.26344,5.885,585.27075,"cpd:C00486","map00860  Porphyrin and chlorophyll metabolism;map01100  Metabolic pathways;map04976  Bile secretion","HMDB0000054","--","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","--","--","--","No results","Full match","Full match","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","Bilirubins",688939.6391418161,813531.056918278,736221.4225210919,700089.9977790649,487537.2897071464,917933.6761953216,573579.8159351057,476230.3043280373,694088.8522752085,580863.2687926877,866294.756449015,707618.5888573922,1056297.535970351,366832.8963964541,547734.7215359953,1823530.423031022,741779.6345139532,471965.2227696387,1206750.510370858,10067025.51307537,5661699.872285812,21491607.19401108,2121848.748092517,10287658.10418308,1742543.608433683,559079.0200005494,337016.2047367589,25367033.3830976,16737279.93908022,11839784.95983619,12922627.85100474,3355187.594044297,535323.8086978963,481528.4002745439,29684274.4669455,511288.3858182689,43189089.75008062,1481247.094526539,425440.4279955938,12718773.654926,983269.8901755734,812125.8251850628,642219.781463347,1154618.913868664,870916.0224758778,541322.133843378,768909.3607332975,559337.500722662,1063685.883741993,643503.2765420936,475289.3703890048,508171.8205459881,611855.7019877424,336560.905225389,817874.5040776578,354160.8199047571,519542.8340933948,1401551.545494871,2814036.04026278,3583962.248315606,2734539.572957408,2114451.736042441,2473151.685573644,2430951.825107135,2070259.934138405,2995056.769041362,2749426.759454656,1501423.944905472,4067603.052765328,1903082.394080336,1784397.328125569]
["Com_5180_pos","SQH","--","C14 H22 N6 O6",196.07224,5.348,393.15173,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},404595.6049284883,340441.1046528874,482352.340599545,602546.1749237584,417089.4105816255,3135765.802381317,642959.8490795002,331847.7887487862,427686.1233151664,4042359.158083763,1340132.733671468,746952.8890573495,350795.4518008258,324644.3723552765,280952.4450415925,2865749.208117848,11424569.54257063,1797421.874228002,1329621.185607383,12575090.37956706,24190041.33621765,34796816.73109845,3934340.698795749,18786304.39238774,9554195.793148402,568824.193948089,2591904.084409944,36789601.32520205,26004716.80141757,16126613.17410742,19634196.07955609,8913853.232796025,1275991.092907514,1539871.557461794,37954147.96927585,1372266.657064224,37481888.43817741,2118356.332288405,1919578.549973885,32016541.15814008,1369570.114928305,1954284.315778358,310797.2252719181,671122.7343853138,2335486.213568193,268820.7067853443,970093.4613220124,365929.2662126218,422638.7891232991,1030951.11309891,702051.2333907512,247482.0796563146,929676.3120897968,295910.1492446065,419684.1418125261,403175.3147821819,482191.2463582768,283479.2937005099,3175410.59081559,3058102.449294272,3112567.986691132,2732490.660014072,3363835.923889878,3249640.977998084,2538880.288751107,3199231.648489689,2936218.066850688,2291949.969231838,2536020.520275722,3079419.932250121,3381018.484242453]
["Com_5269_pos","Idebenone","--","C19 H30 O5",338.20879,6.568,339.21606,"--","--","HMDB0253376","--","-","-","-","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Quinone and hydroquinone lipids","Ubiquinones",773809.3923006722,1442221.036220708,3423268.46028432,2738244.558040962,1185055.139968288,6813977.911079423,6394473.232078598,1050500.745690094,1663582.883105551,6224871.54550182,2646815.753931267,8815713.466186017,33385843.95159046,250896.7792287907,831798.0981712833,828907.3166466656,5746142.551274724,930815.0477013226,2307057.406823362,3119321.2494867,2523785.139238181,3643861.527088029,690066.3895265158,4725846.760413223,1510683.509542216,5316302.595840985,2311265.14294995,2502400.05989072,2875827.039058633,3714709.703872537,2360516.380871563,1961526.341161555,1427512.320430015,2210375.964212812,2608570.595327836,809056.6342669823,2523333.166966727,657413.5238056293,411762.9074637644,2671352.182610511,4321937.112438225,3592441.590864602,7820924.663000414,5036224.746820432,1096112.455210102,730834.2035653632,3519486.607450057,749752.520993759,855828.2735338024,1865022.652900214,584563.4875236519,1777481.758528223,7135583.485867247,282238.0385296827,352634.462395083,756106.0591641793,1296450.695578571,471913.1964040473,2230277.22345801,1615921.534016234,1469515.257176621,1523711.759409417,1679629.730050037,1838278.653316589,1630458.095200082,1964800.084067981,2101653.788114319,1875694.42624964,2358690.471520231,2144132.742299289,1742633.221882687]
["Com_5279_pos","1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one","--","C13 H12 N2 O2",228.09003,5.35,229.0972,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},18811050.56102327,350077.22984345,16929332.31901909,6488980.979011209,382160.7664219481,20446341.75948611,3937840.367472848,14154376.07998254,4501250.461412295,7574623.739184304,15646500.46433214,30983158.29703499,360724.6549541259,333833.3738350375,288904.7542545928,1611633.471163478,29990885.10270835,1249001.773559337,4852556.509096616,7565285.194084053,13100839.99289628,22892452.97128449,550988.3135871823,11425751.67471216,3849823.597609042,27342945.65173996,1109698.246081082,34222814.692226,17415857.2215068,10519484.14678824,10998335.56420294,5516427.081499989,4782776.993938194,270075.1384013749,20692766.60161528,382401.1908576618,16084048.09590686,833355.0930558041,534572.2185812984,19749044.48143085,45556892.833622,8162749.15595556,7268845.302739358,32952621.18086804,1229013.123949914,276429.6292949821,10720653.14975437,376286.8293033388,312617.306853778,4885365.347240123,322413.0670942618,254487.0161031649,1918925.954928191,304285.8336267452,431563.2271395529,287269.3648170107,1190723.502379888,82308498.48234564,3596027.45038557,4185883.436664893,4731325.264288607,4432641.079020902,4185095.867578794,4103697.951085461,2540094.600752537,4677321.359221394,4150102.336755249,3995413.56393114,3472202.291310723,4133670.669455593,5103752.501171538]
["Com_5356_pos","4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid","--","C11 H16 O4",212.10489,5.593,213.1122,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},3790073.297694933,17680901.58852136,15691738.87124591,19809677.42672316,3315256.644923286,27430528.21040787,8078057.560801802,2781687.897296112,12815203.90500782,17469826.40601918,20316119.29932269,18304486.81582947,4005436.415567117,2166448.981017645,2150652.403192841,4427871.211011403,32759856.32287916,7081185.477046718,11329864.31446597,26907657.37462678,24410029.56793557,24682720.86696075,3067093.478491131,29505925.06751229,5661487.084492777,25069159.89095773,2921901.619614388,25760111.37856646,31003063.50384671,27537541.07353389,25910838.44636124,7466451.262756619,9062175.178518536,8375767.568542055,37603706.85252319,4157908.519867875,23635601.38660711,12151661.9792819,12882475.15875798,38220114.82979759,24582494.4321929,6870455.875876553,4749218.660427741,19217965.00048506,5228783.28719385,2829214.625175154,9877920.454570604,2539780.196678497,3791095.582287384,6272249.689177616,3062290.673444771,3711850.267346268,10398936.7441436,2083791.642797709,4860488.033935103,2804690.91742334,5199286.637785071,3075282.437667206,5769219.51539177,5118017.110116008,4796749.065254548,5452765.34284533,5516353.424746141,5002500.394027447,5567665.968395535,5347872.938571373,6611793.355685604,4878190.552473496,4968578.357149435,4716628.839375706,7181590.174398995]
["Com_5500_pos","Thiamine monophosphate","Thiamin monophosphate; Thiamine monophosphate; Thiamin phosphate; Thiamine phosphate; TMP","C12 H17 N4 O4 P S",344.07035,1.307,345.07782,"cpd:C01081","map00730  Thiamine metabolism;map01100  Metabolic pathways","HMDB0002666","--","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Thiamine phosphates",2783673.383156664,1246164.867880566,2529105.338696508,846659.562595942,2838101.961940228,605338.6948920744,2883922.25167372,6041177.755871002,1782550.454636589,855773.0010771693,709607.9285232472,534717.2183187221,854876.0149058163,1760256.408506499,1169473.42391933,2049485.91758815,4377944.131466431,1385562.013957765,1003407.743271984,820788.4035671266,1183779.719557546,604094.7455183202,2099742.000636518,2109258.1483181,838513.9231617954,946535.136406978,956792.4725550808,495838.6624234088,695931.9072835351,1122778.063856099,1472076.97189794,1739078.453627965,1082229.123191249,3825668.672832869,710370.211116681,1459046.73912594,527714.8706316971,1242709.621419033,1723839.378419512,872272.533954596,715168.6165957195,1359104.419784989,1372922.383169458,2520497.504424695,2297364.09706403,1867119.649133766,1858910.574653622,1891030.229733268,3910138.249840311,3828532.140655482,1649523.340025075,1984215.752815778,1132258.786323348,1601928.04607578,2721647.11004011,1850870.970823209,3344565.710764886,5510721.497222208,12346727.0652568,10648461.24607156,8669407.35144142,12290494.66995701,10812195.15902008,11938264.02875486,12985994.84242483,12419445.20959989,14506991.6425777,12353076.03395591,14169842.25982306,14622415.41728491,11518431.05872688]
["Com_5634_pos","methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate","--","C8 H11 N O2",153.07903,5.258,154.08623,"--","--","--","--","--","--","--","--","--","--","Full match","No results","Full match",{"$nulls":4},1442019.121914322,5190343.185854954,23855059.26772324,15213945.8015092,2134842.837029605,37615191.4223344,7579534.010602691,1554822.500413425,9248518.006304944,8005010.095173583,38783909.89753602,22237214.89882545,2207207.107004305,1204910.086061503,1269340.423287785,8668839.113394283,21100099.64890056,3378752.611211891,8932999.113875335,7660698.157571795,10383520.24715124,12448198.01850223,2645935.745834427,9299189.033838063,3983606.093504435,18280344.44193321,3088015.660626021,19369914.28129074,11176157.14893132,11312392.26481322,7696979.595923938,7101777.291309747,2211329.606360322,2315120.012664566,11414266.06005851,1849982.989652392,11159074.69447001,2192797.396306554,1842982.451743234,21852620.52818999,26007766.36340456,7406390.556621269,2389958.561425688,15783960.47061665,4406429.003136085,1371199.144400767,3709324.719955518,1289750.129467018,1805250.244770705,2695986.266174477,2009818.431944259,1651389.960058515,4723938.556673689,1141736.513738901,1967352.222510373,2063845.172916993,3262401.918749351,2569843.911649322,4295113.37539809,3890014.562921987,3475460.497775657,4497971.211340616,4313230.620182304,4051562.396383633,3640799.60762807,4511363.536918872,4586475.784886792,4992179.013187027,5204578.572594352,4452526.764316054,4244070.96576408]
["Com_5660_pos","Sedanolide","--","C12 H18 O2",176.11994,7.289,177.1272,"--","--","HMDB0302242","--","Organoheterocyclic compounds","Isobenzofurans","-","--","--","--","Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Isobenzofurans","Not available","Isobenzofurans",13609155.61496028,5182388.313602839,9109342.59703612,3718733.259114322,6609406.206878777,5628585.103704023,14249432.99199183,15198923.52038508,3263994.721890535,8079388.660321663,3809907.208534931,23205203.81913916,30140980.48493119,3456258.501689354,12308511.89913595,2583358.839513741,5562630.163888226,3173600.645423876,5321523.668909772,6633881.089745784,2082773.82097221,2197063.216345793,4878212.950986996,8138596.819388634,5304791.242831668,4703255.223093527,22323363.23853468,1072864.535975436,5440410.763973014,2565779.022675322,4320446.453495329,3271841.678495614,10824631.55710227,23202456.48011082,2756760.808515652,8067704.729207809,1735895.185113345,758174.9150090001,3899284.14937965,930688.960377918,5087872.990798466,10621823.80462665,29597164.7000958,8417427.337569967,8781461.711627616,12625156.31863516,30844315.4334897,14358190.41292197,7174940.134351901,9662281.00988728,2679911.409691948,15184276.85975258,21915892.03883906,2005382.770756254,2703378.924046968,6651737.507950076,13394070.68389594,3282064.507807904,5228712.96193259,8284120.512656704,5655090.173134956,4738888.567553573,7143832.009022692,7864425.40629554,5813850.981014659,11545946.36550833,4475464.73226333,5862015.217623865,6768250.075796032,7117385.211646835,6615719.345061353]
["Com_5735_pos","SPK","--","C14 H26 N4 O5",660.38047,4.929,331.19763,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},4105449.959140769,4738502.680514044,4131441.986614555,5264555.911978448,5720649.089785982,4939351.417436465,4669837.268467176,1757535.60950468,5322365.706365544,13222940.4537614,4102687.093740262,5981160.241598995,19363303.51986757,3210500.508666464,3220218.792295778,17833325.74870344,5009193.914228014,4898885.318665126,5075543.207962852,6572222.739628525,5399901.03902908,3820248.876575158,18963249.59385469,4419069.496980131,27542901.81519167,6027928.743890346,23979217.1261576,2866764.197632184,5300696.053574109,5693704.311068515,10493905.00685292,4711076.163329516,1418703.732257246,5506432.801544382,6776553.038199929,3708441.563169621,3328115.545820447,2872350.565726344,4445788.650710261,2180598.239117702,3081557.840078549,3123140.193327778,3292490.922281655,8030198.26898559,5185524.884835372,3472701.788489182,2940611.119085104,1693103.300382003,2281166.231024362,2612599.735998896,3990353.965592181,1883714.536650327,1907282.807120174,1754500.252226164,4459466.571546211,2321919.947981224,2113583.794903715,1616022.072213195,4032058.63503437,3574467.334393295,3205611.174732156,4384075.361009088,4424078.101610363,4534620.587916909,3562215.278493937,3389491.341975842,3376475.212671156,3739352.613171909,3442582.791513218,4536878.449892604,4053626.518937298]
["Com_5789_pos","3-hydroxy-2-octylpentanedioic acid","--","C13 H24 O5",242.15161,7.85,243.15889,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},49370.65587375343,42913.85412401098,62643.57729641989,47655.93315078643,42201.09820925525,43525.48422722815,191118.2729555693,39245.82572104071,31982.10406657811,47387.23973831227,36738.7578119915,69617.96441581505,29153046.27527588,35083.00990483807,34616.85843429808,47169.29896794766,44912.31873371844,50146.8719711192,41007.13966708123,41883.80141810184,47314.28787166311,44286.48119546373,17982.65692069237,40356.33610017439,23701.62350330835,35485.45087052245,32249.72763521866,32979.56479201028,33924.85464569951,31757.06979904752,30762.61939471916,33041.56884248336,29505.47755111213,66208.68650852927,47447.38246740648,40286.90882702311,34263.88022351063,34928.2211688254,35448.81652998256,22635.94697008281,44799.8802857737,41810.21384649768,2714284.62329901,77946.77482776462,47773.19400747304,127493.2864374413,58949.11094903404,34134.9661784445,56180.84569046123,46361.0433035372,37642.60053079186,30286.97141158863,2630051.822708956,43723.19751802809,60748.90393815118,44676.95834453246,35444.90521108434,51625.03230104881,39378.9140718904,36092.03452432309,45991.59985826362,58449.4168917929,34148.55152179022,40353.7360660344,37373.28934906877,25849.46880327033,31821.8501061914,33820.58210150807,29309.55501617847,34888.06313342712,28804.68749521826]
["Com_5978_pos","16,16-Dimethyl prostaglandin A2","--","C22 H34 O4",384.22932,6.637,385.23648,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",1295472.062121248,8138344.454707587,35937665.13741174,23673082.66985216,3674831.288153425,21454480.73772326,4672229.71212713,189377.0265391505,10582155.92098738,7022370.715381208,23162246.68508941,2244136.558339638,143232.9155543575,106401.3266775943,108291.1664591802,3305456.982939284,16394073.34479082,1584879.275192718,9659039.073743075,1253626.685947419,722830.6359110086,1035206.124931937,96417.31064258964,928854.065722829,444193.8832701644,11886288.30901829,295239.043504008,1310425.55327759,913853.519591995,651784.3321119881,977228.4004914596,707951.6187630002,147217.2885355662,163939.0069038391,3174757.026048672,154830.3903552349,2341466.043682195,366952.1490106089,201858.4505237499,1985324.631169616,38136994.67424989,7988942.068578966,667298.2075870081,11443852.04252982,9168264.314289972,170484.7720547782,6887451.309973068,133300.7155175806,396716.7932223756,1166670.082185377,482140.4750400205,145397.2037411476,2400375.328912088,114070.1875605002,257126.5721475907,754216.9406420075,1377721.226486318,227949.3273826254,3616231.50983084,2921089.332954679,2201084.442247068,2957484.874244657,2124418.783170637,2387205.907908235,2190346.167729089,3518564.322709989,3140796.913358785,2621452.639343369,2164855.51931274,3573995.023203259,2177341.998101222]
["Com_5984_pos","7-Ketocholesterol","--","C27 H44 O2",400.33354,10.296,401.34055,"--","--","HMDB0000501","--","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","Cholesterols and derivatives",2029260.162961124,3974500.708588344,21020215.52903893,47955283.50321556,1785904.297000538,24693025.83824685,3621833.96718922,46331.43557433507,7514518.338008785,89606.57561799297,16761228.51712419,2268141.318668822,48288.48829055529,50421.43891546162,39737.15454011192,4692098.113460015,2514091.495463501,733494.6121472487,3349755.690446653,6293208.772552634,6367917.828218696,3011999.04683928,230653.438512485,1796264.888542071,1977845.54532305,5074130.16550279,1239326.427523613,8967278.701567981,9215916.586699432,2600104.608395234,3087617.895840579,1018041.156850708,75753.15851197802,67335.16162247791,5890896.661206697,60220.67384991563,5481659.873877937,279538.4300379261,205201.7218753393,1908776.180221972,3338524.403904452,6969163.79133348,25237.42300885321,10943247.02400504,2652319.914531067,110881.1321120298,1715568.223008922,364162.3729770439,102625.3489907889,1126447.537875953,70932.68853844509,33423.52526756172,1458671.771431408,45350.1060345734,206734.326268376,254854.1815621109,224094.6220529188,251396.7850804783,2546133.60675929,2047576.99759144,2594519.964830549,2000326.112429035,2054505.805721092,2437381.449576681,1889273.533581476,2190184.68593751,1794722.808677389,1822163.715263145,2635261.220924361,1732849.417909442,1632561.27063115]
["Com_6113_pos","ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate","--","C11 H12 N2 O2 S",236.06221,1.173,237.06953,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},9376973.782042133,13622545.03169601,6048198.996463549,13384142.04311247,7978524.923188545,4082756.683141411,9729811.878116664,7092548.683495888,13167801.83688302,7700909.15462494,5383026.906818239,12344455.37015779,13095755.16031645,16005868.02720677,14246534.55302322,13463184.47964669,7611638.506473204,14392046.13830012,12024737.43348128,15933444.98055122,9692742.30878446,6179787.656188741,6961038.950257213,14798587.304202,25266143.40802321,10474374.63055255,11045871.74372826,2934077.690152911,9644033.84927095,11703437.21646644,11113886.94524557,7066850.888525285,15343667.58507434,9825990.355544802,3891716.31115852,12291694.4887574,4586201.382338066,11547478.45719108,11184783.8247226,4090999.364685157,13060804.52957783,12646052.45164033,12067486.25766638,10477395.80789816,9500935.868840748,9792722.309034524,11176267.49832807,12335841.79316563,13608596.31107976,6043790.66577337,12274911.85444441,15253034.83118872,10831103.7593719,12670798.24415514,9215431.28389183,8506152.193393357,11766449.91484761,7288786.213247703,13254295.929876,12487226.89843397,12745796.1634124,13378089.68617668,12097476.23553635,12887555.07921139,12620154.51154242,13189265.99732149,13095611.34689303,12977136.22052492,13690885.59868673,13090355.61720138,12838840.22603173]
["Com_6181_pos","RLK","--","C18 H37 N7 O4",415.29082,1.393,208.65273,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1604053.718947922,7471592.297383378,4624119.963191108,3506937.586952408,2317153.603709141,2052641.939900474,6283612.115091487,2183976.793054601,4166800.079194816,27147252.05539303,6848763.713537767,3481428.13866976,13710021.95404986,1275742.402328309,2105556.69716861,15643827.07859345,1268101.930690091,4404480.693845447,2842378.425702932,7438786.409859487,7042440.473552483,2108800.360771125,13356468.79383075,6577895.891614938,19055396.34578796,1335853.711146442,12663622.01237613,1081857.789022717,4962662.575652419,4208655.025540811,6159343.668164914,3767529.56352313,1383903.777062694,2371261.771221812,5063474.956646407,3319900.103629915,3860067.387319642,2485621.086184677,2192188.721677528,2890176.308900618,2197382.100471486,2219000.21742548,2417179.740330563,2793498.70064499,4200408.110135876,2376716.817687582,1311613.403057014,1797972.368927076,2187632.310996118,1608151.339898557,1960891.068805381,1545942.754932369,3585619.368503231,1892365.618924074,1860171.209112302,1696661.165604812,2257209.884207914,2374336.758793158,3093792.95017785,1518058.286703985,2408571.380204365,2294130.305691598,4706607.545292124,1984856.844312876,2696822.232936367,2323526.78738088,3082029.142948199,2980605.534265632,3215907.464617932,3048272.627024269,4345171.040715418]
["Com_6308_pos","2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one","--","C11 H15 N O2",193.11043,5.088,194.11769,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},860020.9286066528,1559913.733767408,13136211.48897386,6604085.133575848,1050098.120570326,16978852.14350097,3646833.610706119,578552.5750452243,5420780.427098288,5657468.057270168,17592753.02461577,30476047.43084459,810116.7393094662,836612.195202241,1770384.886916329,1740572.004137198,25786251.40557333,2718256.81369105,5795154.676539098,7653114.658185479,9209464.371707687,20690623.83009594,1160778.232009045,10706485.5381381,3122396.989255133,25023960.6929052,1489206.213949815,25152786.43576078,13300184.63343197,8779017.507267578,9379850.48586459,5239548.977335386,1488245.303034584,1103872.957135272,11230008.76431478,1605590.47072019,9686799.0933818,2290944.132231512,1441073.305835474,17096020.12792743,29495768.52194717,9314924.832073186,1412452.021255633,12708273.8545774,1867367.435523788,1048577.145724758,1770863.241820871,813423.3524027292,1365207.420126185,3831012.823732198,1454880.125542598,971446.9533615056,3090878.419246047,774899.3576205664,1391083.715856262,764729.6743205125,2948737.672598813,1861941.857123158,4552920.44830881,5149113.509767143,4881913.240550528,5166127.140635212,5242941.747980366,4723178.093456314,4744311.60704248,5272148.223677038,4970776.87740758,4666829.133662205,5466394.015710723,4804074.240801229,5341417.091929822]
["Com_6312_pos","ACar 18:0","--","C25 H50 N O4",427.36572,7.834,428.37286,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",31124559.31972238,9867800.808869176,18786445.9223613,246012.4104561457,25726764.74638745,208528.3076489063,42924082.54867219,47457335.77462337,26426931.0521594,7193993.339872434,15526484.65972722,3303302.787017436,3545103.068743934,10237300.56025484,16365019.35398352,18110962.31763242,4633884.267473231,7995057.255532378,13616011.67361724,22510374.69400173,21035835.65690243,6733138.542190368,14516291.74735652,11315587.56012338,14337874.04438324,1914553.279728492,11806280.73104366,843279.7189238447,6798305.11103512,16181646.837515,8172634.98563207,12577683.47602173,8465305.835248392,14413990.14975631,18585956.9876971,8339911.730267027,2584897.254347246,8326359.134258082,10709002.9328638,1771420.068150209,376104.0748136573,9134996.06838101,10032014.74400275,9903203.29788969,41923320.55020954,17461260.97088424,34444191.31343251,15588693.21050713,13939734.62667543,11717960.87171897,19224411.94089777,11712552.88513824,16858771.67529582,24247786.61834531,20044141.52874121,32821593.67220462,15299569.63549959,20939160.87394058,9195124.63909749,7419174.812360573,8789191.828924673,7457165.892551275,7083127.853336537,8473843.291124906,7416048.33302377,7790185.875757812,7607724.97042257,7100960.93097878,7433545.241639056,5503468.585389596,6054367.084760137]
["Com_6398_pos","4-Methoxybenzaldehyde","--","C8 H8 O2",136.05242,5.812,137.05974,"--","--","HMDB0029686","--","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","--","--","--","Full match","Not the top hit","Full match","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","Benzoyl derivatives",863173.3826475834,1398069.24941257,5404593.569590441,3860566.818687706,1805075.627053312,9383291.16736043,2131780.912754641,1079455.014581503,1378734.478413389,19059752.80649215,4093889.194487249,6525170.431589483,998993.7125469152,826496.8480274851,522163.9216172219,7037232.980868846,35546530.16934191,1902296.36186936,2999920.435268431,3089963.155025744,3846532.517833041,3361291.980645758,1103876.032979443,2804007.825852033,1269131.90084283,7158325.633941375,840863.2110345736,3550420.955993868,3144962.125024519,3986713.243444947,2321115.253745943,1923599.181542708,919251.2280736224,1150516.466751478,3049477.084105215,1373214.644105678,5551057.257917349,1145867.087178874,1186401.589133444,2450300.278195263,10159439.83639595,1325976.001381341,1340097.093653952,3556309.62336393,1500708.436976218,874474.2170815214,2028902.808094362,1087289.271474187,1051461.043925803,1518566.84133779,1757559.962852735,929154.7919700524,1464239.129910628,648546.9138516767,1262561.462027351,1028694.820169874,2001287.55369832,1468464.946516715,934531.190595566,954163.218569048,1197795.494898641,627676.925119822,1034510.654247745,799419.7995369858,1152383.304238754,1069585.290912876,1154266.943931662,622642.1451864322,1470859.651079477,477485.2554843125,1379275.632582655]
["Com_6480_pos","Carbaprostacyclin","--","C21 H34 O4",332.23448,5.466,333.24167,"--","--","HMDB0247207","--","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","--","--","--","Invalid mass","Invalid mass","No match","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",697504.7972715313,11352370.74601171,14654131.98595502,21991968.9164733,1156799.484159697,14470578.14081468,3789844.688255564,765593.5623173617,18678528.6772779,9765630.021437643,18104732.33259128,14512683.57245658,6176897.097889306,576394.8096482906,488294.0599533417,4759681.820295998,16777816.98168007,4217066.889077597,6001263.86682681,1871047.306986337,2003761.632966366,3360860.688291258,2137780.670856205,3615409.036838936,3988728.538584918,11977157.74970401,922636.2816734612,4538289.42581415,3103731.591849785,1877136.837304822,2196071.189634107,1189337.110846278,727730.2700272497,690125.1616126508,3396949.160787038,728012.9526978852,2633309.797568369,1206871.585168324,653939.3246331665,2524942.123501128,24260895.51867298,7824327.673234981,643311.8830426894,46970878.60573754,3893963.049779274,570712.8677722047,3686818.431398791,689645.5319215052,871083.7328676085,4447046.303435778,2481053.252946617,643449.9615561973,2377634.150012173,544714.9856675898,976376.0288183144,810519.8106130076,3048287.007550533,1994235.641024649,2368835.79217494,3454678.709943486,2798128.409157327,3008875.833272251,2732646.80909926,3413916.32712629,2939673.574601847,2631484.743592886,2798985.433679065,2702464.719270138,2897968.559863901,3186996.589706206,2824122.969653926]
["Com_6773_pos","N2-(2-cyano-4,6-difluorophenyl)thiophene-2-carboxamide","--","C12 H6 F2 N2 O S",282.02643,1.235,283.03378,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},763845.1731608254,1096187.77171615,2639844.337449083,868970.97168535,747079.0974361635,1164522.679629246,758552.9923784698,876407.2689988464,987065.9515462284,2015600.848262654,3553039.715457558,3098731.269343464,488181.7586225761,622955.4087324364,698935.4950226885,991210.4260466384,724099.0671308972,839500.8313225831,685968.3151648759,561860.279133771,1438051.281001594,4125374.703983978,817285.554249621,1414270.503884932,668256.1043848515,22662220.73004167,1021383.189141444,5563359.377404827,1654915.095473598,558398.1887277091,537588.155026853,781354.4585081043,760166.9220302991,800176.5467993995,1102010.695383032,811997.561824282,1470644.772960947,688128.5263137291,805433.8475691881,1718874.921655261,1299040.860659898,786796.666441803,656156.4660476747,729730.6360307259,830882.5074085348,977097.26293418,865007.2909881319,785092.1838185209,984159.9176574288,933793.7029308878,685512.9012678677,864686.7543039386,522346.436723236,635865.7403633683,1322940.943760175,758101.7656843623,954100.607078628,1376251.611007142,660758.920963781,636525.2149014244,1091870.197764221,765614.7090821564,806593.8701102714,813401.6713259883,895178.6615495484,666756.0947359673,731606.9642111197,605952.9081034039,613535.8977043421,514632.3810226653,645659.3521675074]
["Com_6864_pos","TMK","--","C15 H30 N4 O5 S",756.40157,5.014,379.20804,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2178437.968835385,3977301.808299224,1191467.861930365,3580074.867055255,2260685.035477769,1657434.178181547,2876727.043220382,1011209.74061199,3184570.32625085,5005411.124580651,2563280.973140228,3472051.784522587,8746076.014950419,5573399.84060413,5335679.096551865,4342230.385335935,3815602.795700317,4411538.842093296,1899396.7983979,2149287.371512357,4294879.293981687,2682231.579450271,19358303.11279204,3006134.816937161,14791428.51204687,3876853.003805765,11298055.49986376,2066414.912840469,2032002.450574596,2053674.331789401,3217224.274461438,2732078.772593884,915555.1005666158,3548821.937562995,1310686.233645121,4727183.05947166,1773948.159573103,4328857.97088373,6955056.39786222,1594913.121694154,1922406.97137077,1450184.756697403,2730411.127022045,2099317.867303029,3262717.385460111,2098026.786352587,1785611.585500213,1407884.385850969,5038240.82222592,3111270.081791963,5802565.947529013,1059851.966883681,3368789.490443711,2473824.181847143,3049196.681027556,6143612.030918735,3429513.021395191,1627708.528890957,2251320.56989984,1989517.504411898,2307638.547869095,1915670.359159433,1419226.516685131,1718631.500044261,1757301.808675089,1979289.450313328,1999641.383186831,1649776.796883416,1480588.753911513,1684492.61775246,2528558.513971018]
["Com_6926_pos","1-morpholino-3-(4-nitrophenoxy)propan-2-ol","--","C13 H18 N2 O5",282.12145,4.047,283.12878,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},6804613.568262969,4519053.298585089,6833548.799261034,8432464.09173953,5865418.178069757,5446137.515236803,7406069.574164237,6030983.131038691,9131659.549746934,23129865.2964456,4966496.413838389,5761034.785761804,3575978.068184903,5043383.810034277,4497382.961051774,7984666.815918583,5443351.393381697,7404846.021388824,4611849.642845691,4801352.921686904,10246089.1801087,5112126.330386082,12690813.63746886,5059714.346636204,4826617.80718635,3919958.443186418,13464431.64495175,6481247.983364343,6788604.612975042,4857304.652989386,11449322.59378038,3740779.218567118,1578104.338225207,3098039.358739196,16259402.31897609,4980769.184596612,7237434.072566033,3070604.428527746,5547200.22268134,5141376.621078178,4233317.073824041,3306316.404642037,4708321.289640566,8791043.526276235,8940390.80263002,6521285.397982992,6866843.468614201,5607685.11826609,6197259.039416754,7373873.831103353,6763932.233597975,5729668.6825354,3186384.145355153,3666940.492628641,2846146.396095098,3769694.506000493,7599272.137571237,4082248.28681293,1775189.48413896,1748148.348064387,1792635.414283019,1557603.380916706,1659235.03172391,1180436.577915112,1427016.497786589,1231898.594981176,1101541.922289113,1138044.588650858,1320671.816715867,1286764.534486692,908053.7835335276]
["Com_6993_pos","ALK","--","C15 H30 N4 O4",165.11355,4.759,166.12085,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},1826664.105314518,1889765.26619288,4784539.179842993,4782457.308232382,1956944.821954048,3277921.107874318,4822405.640262396,1361609.469342214,3421502.499383845,9293860.992807582,4157193.667407818,5631833.913026658,22369247.38074086,2591615.00109626,2376976.061755382,3205522.931118049,2913702.611227532,3364264.403020217,4925172.831571937,14190805.69356184,9439668.245920172,6557074.888345961,4819077.375442219,7745374.174182955,4601260.555110762,5258742.854947809,3417375.100964669,3000388.92902886,7043563.172401135,10806430.24318803,6204381.176207833,4173706.594445897,1093798.75882363,1837194.068248325,9510457.176728137,3230090.109073844,8716659.211798627,2851620.730439469,2327991.98342276,3176306.392104968,1962961.768502506,2349353.318108357,1796373.36604611,6526713.486889749,4182032.512566848,1356018.783825655,4894475.154107682,1507473.117423918,1718157.79908057,2181518.775011628,4308634.151829473,1303326.740171862,2675863.727742883,1432090.730256335,1182839.325326176,3043728.24251717,2277049.674686631,787385.2295979568,1922456.82910098,1996597.14359426,1990208.60973666,2090907.56533844,2240473.987329495,2311547.50346969,1798679.955921501,1783499.819796744,2364736.169225025,2035722.763935722,1937927.144400628,2132388.891344644,2150214.091203013]
["Com_7165_pos","HLK","--","C18 H32 N6 O4",396.24858,1.382,199.13156,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},4910447.037862909,5231118.785880238,5288955.451107827,3781677.647030653,4196767.253567934,2359221.83939229,4849802.12020221,4945658.19194488,4280048.521762582,7023235.873478626,3817667.328838455,4022138.670336813,8736262.258297073,3352675.743493732,3614049.746213185,8394901.180616036,3033591.161550826,3377624.218214107,5941006.924920499,4639027.545086052,5423394.80576937,4828158.398914221,11505688.00729649,5437208.099746319,20138785.57080945,2987742.246356214,14148010.5377348,2446794.15660374,3355351.486796926,6625162.813607141,6874781.866389311,6560927.800045135,3709476.417197495,3988778.694965853,4596594.283919542,4028431.49052426,3719611.212735227,4224836.888528568,4237882.832749252,3003231.393754793,3547885.751387095,4376422.36283605,3494728.213449125,3330496.317661455,3769685.195706233,5279193.792718254,3664536.165370597,4749747.192891983,5849477.958483135,5396890.781183076,6074596.137411179,4119947.206894416,4989531.430313402,4349894.363753183,4207074.248501728,4068533.007640186,3740952.310353771,5369941.748510677,2754651.56723279,2816613.270823323,3023843.781398382,4045126.457948843,3317399.099113029,3255300.868314758,3790731.416410493,2365752.583237842,2371027.352479151,2852334.113768004,2435258.950119018,4024454.00339528,2875238.399627284]
["Com_7183_pos","4-chloro-5-morpholino-2-quinoxalin-2-ylpyridazin-3(2H)-one","--","C16 H14 Cl N5 O2",343.08371,2.041,344.091,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1384107.590518566,895633.0081593745,821159.4479202037,1017092.473290236,1298935.198866755,1047993.843291441,935289.4118054736,2164224.2328234,1157178.877054709,719167.353238354,788953.0472172545,771264.2078148006,835656.7039704748,1248177.469880468,1331209.145114928,1550244.931952687,902846.069753682,1037562.617493913,949299.2354861062,8211856.176677846,9577199.635764888,20137692.78756602,2664941.748643428,11505158.11128912,5239458.026435986,814524.9326180875,2438337.205451294,26343278.60385186,12449889.51312194,9470943.892186442,15014287.41806478,5969427.746018491,2169074.408963128,1621497.846061734,12681584.64114092,1144274.545526502,10052857.93428989,2422615.678472591,1660120.566554746,13689338.04055531,940657.3950699692,896180.498520496,1184112.293033041,1248133.601125635,1573883.399200512,1470514.962207963,1743093.588501857,1427209.018340258,1155502.143898634,951981.650954868,1408970.578785595,1750887.295716158,996668.7979542976,1641209.381760525,1078090.478026049,1426131.743048438,1229166.17177092,1671427.681186368,3190970.0498659,3194502.301524033,4275740.572979861,3705506.689176203,4290112.044357836,3405532.698042834,3711963.219718012,3170865.196389485,3331380.495210463,3341933.222627128,4069006.780573829,3936008.25181679,3412417.052709453]
["Com_7232_pos","1-(4-methoxyphenyl)propane-1,2-diol","--","C10 H14 O3",164.08358,5.507,165.09085,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No match","No match",{"$nulls":4},2603882.461019957,4214102.033561492,18559918.54814954,8126608.898310886,2609436.443653578,24423505.29327556,7836290.359337503,1908226.404745875,7530314.53435249,5456474.391061281,17635848.34490272,14609893.777815,2166120.085692455,1488408.814625642,1477556.140096319,4125240.796026583,20931404.14431117,5815964.233491509,9277086.503441082,11475282.13944757,8797954.830361003,7230449.975262919,5065535.318537343,9270632.041106882,4631854.349512262,20590630.27901696,3494352.709593476,11013508.96606537,10052583.82815164,9226019.286365315,14465380.39091258,7122408.822078662,4330830.65246898,4213015.99208246,27104681.4749669,3595470.574012029,17845168.90065048,5012038.434051786,3581949.598921208,18790157.70388552,24069227.51935392,6144968.22612844,3074938.109349257,18005738.7769376,3864899.593804768,1906156.169640664,6537629.90672944,1744897.417419086,2604584.798075565,3830186.438313542,2053645.036652138,1772072.749471879,6509640.734620673,1303499.880606507,3339286.222052277,2007312.852975075,5756030.016714083,3173393.31591304,5430789.63450537,4901002.789437552,4405441.565339272,5051148.877240482,4649186.182934704,4315430.19735629,4885078.334366134,5098332.021323787,6307397.768246241,4183366.247500542,4980677.679900134,5643694.61053977,4121670.360294734]
["Com_7312_pos","3-[5-(benzylthio)-4-methyl-4H-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine","--","C23 H26 N4 S",390.19014,5.132,391.19727,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1298243.814111166,3460540.000335793,5714022.908894679,9158927.557124296,2473154.647939716,3940679.011449106,9860413.288898984,2411062.456377432,9427499.229392843,8940818.91205186,4315991.822909595,6389451.295119381,5591677.263348445,970893.2980557424,1607229.409640551,1996966.098219149,6471479.740012661,3668285.901802824,2921509.907320182,12138086.9078135,22380325.16157325,21402609.12680456,5539676.869754083,14918639.85683116,7179852.518878368,6956319.428424265,4118410.929199125,21936002.49619327,16971893.82736864,12702354.12873593,13390862.32242202,6177391.051970098,1124221.733293178,3372052.761366389,18645363.57091004,3713064.735276,11364698.78556997,2660065.328654562,765248.4551475088,18162412.03507145,6568320.081739434,5600217.334134257,1105441.208138688,18109382.91784057,3845286.150972267,1449536.81796445,1888263.298768745,1588531.72695163,691149.375259023,3770069.198171725,2519550.424971377,1459391.515586047,2340751.986515101,802150.208364006,925555.0517881472,887035.3839445942,3106727.978644663,911700.6482923772,3145815.79671056,2767451.122838293,3312305.488265377,3186491.975917339,3106748.812719746,3002970.40438056,2452637.338454267,3482915.607230086,2354472.896039888,3149910.760447315,3339409.217436087,2579983.459855683,2794812.24445379]
["Com_7385_pos","1,7-Diphenylhept-4-en-3-one","--","C19 H20 O",264.14746,4.924,265.15479,"--","--","HMDB0031873","--","Phenylpropanoids and polyketides","Diarylheptanoids","Linear diarylheptanoids","--","--","--","No results","Invalid mass","No match","Phenylpropanoids and polyketides","Diarylheptanoids","Linear diarylheptanoids","Linear diarylheptanoids",1745950.602524213,1685360.811776589,13153558.91708623,6836132.734643651,1895212.769267405,16987163.72266807,3450689.118875202,1059260.555040058,5784147.478713512,5209753.383098015,13718621.17730145,24840451.01204042,1265974.849705942,1943740.510262416,1632335.103603704,2539185.567043863,18004716.90640823,3363285.866251396,5639989.892428136,5458416.690223883,4554482.765127069,6149493.374621439,3613718.276354883,2919261.518461502,4555271.673629329,17219054.41394291,1260524.812823348,8403065.59236266,4904656.248373676,3869280.23153052,8183059.841241111,4816260.108561185,3584900.666269741,6730219.391660986,3423708.554652643,2664354.51489112,4522233.829758192,7677384.099523326,3464040.614481197,3744188.541667292,18680169.67505844,7456393.698143885,1321874.054508077,10993802.81754922,1079735.86877937,1014253.937474165,1305743.353586897,2061332.030405333,2167362.066218733,3279288.535959519,3642026.450884756,1393978.316504614,3089113.547909945,1427510.508643698,1760813.579569322,1628001.686522515,2527285.679943327,1221291.574581992,2598186.54588839,3428950.250814385,4048509.816600456,2987074.815673988,2861381.6203796,2712299.655026371,3309152.903685165,3225601.890855304,3118822.74690146,3038180.471806074,3197208.229356732,3539805.855064624,2837541.551269735]
["Com_7460_pos","All-Trans-13,14-Dihydroretinol","--","C20 H32 O",288.24472,8.136,289.25195,"--","--","HMDB0011618","LMPR01090047","Lipids and lipid-like molecules","Prenol lipids","Retinoids","Prenol Lipids [PR]","Isoprenoids [PR01]","Retinoids [PR0109]","No results","No results","Full match",{"$nulls":4},154535.8797698303,187318.5776916562,297372.9349506478,457289.6414565819,193273.3678164756,614223.6807600838,206497.6333311837,188473.451883458,198669.7891759549,137382.7534920502,701859.4841339615,249032.3265733183,120498.895226756,83506.24592983315,85159.5367155242,93270.1008247376,1771630.380451678,89142.70646480478,295921.4644766246,162008.9878785453,205063.099970423,258539.0911756057,61051.58185236181,118403.7064347066,92502.26971448684,615129.1511417009,54361.17917454182,302895.8297478527,173100.7350895167,204313.5363708908,235013.806988515,117464.4281290222,83135.84769442776,123608.4237554639,263787.2032128429,91691.91910130552,357109.6572177135,71277.91855161762,100498.3920260493,294603.5286620054,521504.8652254205,293044.9376102784,194065.6375485821,985477.2599487111,184601.7807274747,102395.3244711654,123583.5853142157,75118.3509602215,97675.50392122936,125672.453906442,92255.31220290596,96484.31333751182,111497.630984271,97160.96270690516,113638.8841058073,80403.12443820205,87810.39850058914,140016.7291281303,3633530.06745532,1554565.813448199,3122493.016355633,2268017.030468155,2432125.347221093,3104208.794891469,2620359.257979569,2085914.614219309,2192632.490004967,3170763.359143573,1968913.070207008,1942162.917781082,1725016.704348754]
["Com_7534_pos","N-P-Coumaroyl Spermidine","--","C16 H25 N3 O2",291.19468,5.239,292.20181,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Coumaric acids and derivatives",336504.1356929542,316924.1860454865,2400354.017783368,448764.3604403267,316762.5191038099,2984632.113366568,693416.306807297,309169.8127707972,710950.8691803584,887482.8154867552,2817782.680054288,3904712.592999951,368702.0813380677,291585.892241913,260515.9572461229,385832.0906110425,3490133.259779772,301760.2787803263,707462.8436876342,7176562.877842172,8846292.073269745,13968374.08551206,963066.6821743344,7582568.568323551,3952842.730378562,3202688.722496645,704996.1367908131,24509283.27234783,7928705.564201452,4388784.702951875,6171984.454803438,2963567.217198846,198041.5767567019,219481.5874936143,11837310.28935319,245956.9952694644,9857259.054125477,470484.4952259522,271188.3437328612,13827334.94975177,4361964.019311366,1147092.566509629,278487.0126421473,2350562.168334188,307059.7754751584,265312.0194804614,297010.4521262293,272936.006440165,292802.9017744883,319219.2488388882,336926.0362669857,244131.8977462401,344278.9826213811,265003.2599225231,297076.6602942493,268682.3421277291,283491.9792767158,278751.8797318078,1560431.07369107,1377315.566068336,1701743.5674723,1762137.420940338,1886989.826224382,1598143.083463013,1665495.942096807,1551949.936322879,1494364.555297834,1879577.454710825,1907116.375233154,1957187.127111345,1528016.266432516]
["Com_7548_pos","3-(4-hydroxy-3-methoxyphenyl)propanoic acid","--","C10 H12 O4",213.10027,5.021,214.10754,"--","--","HMDB0062121","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},2761541.623256714,2195626.539349036,23729475.97195246,7397655.607008852,2633041.646568785,20199038.21055478,6196238.922054089,1725460.834299049,5743140.041008029,5170070.747192741,20947962.80913837,18479567.84362257,2511927.077705447,2736760.214519828,2995117.570734914,2555418.036279137,22363138.02435985,2920933.318647352,6061357.477451748,4980705.763192607,6634803.939947612,10055762.80879858,2806740.240442788,8224223.106516137,2993278.360958956,19229257.13097239,2719706.499652042,11342602.82717124,7658208.687200947,11552076.5246788,5820711.324849395,6692499.900392618,2117999.274290547,2670015.874075724,8765027.968579229,2655003.1777205,8732529.248338668,2937641.825834871,2351879.785569045,10763176.7703659,23029210.65739599,6877784.462876613,2328530.9747297,20030984.20743632,2364162.843853787,2349380.326250369,2470611.416446057,2491674.777652808,2188743.431072805,2831742.007451034,2981797.93101981,2479661.907000216,3278920.128085366,2523798.346449255,2122785.829314842,2480896.345403436,2979497.025616201,1952755.677692341,3908310.12328914,4009905.874161899,3706723.079754109,4562799.559715606,3905063.888631641,3811242.785825393,3522884.417065304,3997667.537946444,5091561.022041847,3395901.982884629,3665386.778607284,3412348.852775693,4767049.112786447]
["Com_7745_pos","XLR11 N-(2-fluoropentyl) isomer","--","C21 H28 F N O",329.22018,5.556,330.22766,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Indoles and derivatives","N-alkylindoles","N-alkylindoles",1974939.802335662,2369681.792923032,1119477.222928539,1331271.695034832,1529101.572785627,1325330.508067176,1143702.528474496,1373195.358435664,1514320.252092698,1014861.244960642,1190503.827953697,1573633.919688844,763071.1460042441,1128898.041350141,1120666.725532086,1455625.912046657,1858551.133212745,1870186.867296218,858264.8717301076,2575817.312918261,5621751.084883959,9760523.619230228,518554.9409138335,2726979.712338699,1011475.561468518,1584452.856022781,261611.112595375,7722202.781949156,14529833.19849356,2620230.41659535,4394934.166897719,2372499.822712293,1365318.082138358,1491294.617541457,15619552.58897065,1550534.516596695,23332943.45515253,1647726.761514738,1692847.667233695,18301328.98559853,1645885.746784894,1830253.537094601,1472594.784043154,1732836.054955087,1498410.714896755,1474253.433569959,1568849.360678537,1323434.299451369,1975472.496659053,1575999.403196122,1557606.913318464,1257944.528947484,683721.5947282265,1085826.772173114,2532713.887837651,1100004.060946402,1592199.390398432,1602474.995210933,2808445.4927183,2666907.710188718,2499500.644631083,2477868.947416372,2874473.68073531,2559649.9065191,2512852.753430027,2203430.198569226,2448406.494756173,2188098.616465313,2219494.465725976,2381860.631571783,2067743.095749761]
["Com_7763_pos","N-Oleoyl Glycine","--","C20 H37 N O3",339.27702,8.716,340.28442,"--","--","HMDB0241916","LMFA08020082","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Fatty Acyls [FA]","Fatty amides [FA08]","N-acyl amines [FA0802]","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",380964.6992468548,236863.3551220736,251303.1189795121,181152.8232167597,235795.2148885734,390860.5688323846,480286.0519304999,269856.6038230497,151019.2871715407,239821.0123200457,323631.3647491729,247503.4383797024,322134.2240982477,188797.1760533307,272293.5163022772,167065.4424091716,243101.0922987041,273422.9222973402,215820.8241065364,812074.3603528427,422618.6625511509,19146981.00392242,154226.427337346,541883.4529282972,173165.2820932012,324454.9302340758,272641.0306574857,1164605.542476797,730689.7206180564,406089.3005085525,1320404.42481976,499522.0899090476,251802.5820883041,299349.8568058024,2977202.418969325,238436.1799691844,23251357.8841956,176705.4837033658,290936.350941472,646812.8865564428,539522.6427660006,347900.4082306565,338463.6864292927,378297.8539146068,340795.5413488029,230955.6747464268,497330.0945214346,239369.9670476394,234773.470030899,260118.7408166299,203953.259274208,212812.8681623151,401399.3313540384,198575.9133302651,264898.0234821101,287294.1242239423,349371.6471855177,370733.809992416,331401.173278968,347596.8146942653,240302.4893409421,328540.9929219659,316613.2173651935,233031.7597487881,267678.5217033082,322659.2802482648,353752.6459184115,387892.4232324533,341819.3662208864,271946.8644264602,368190.2289792058]
["Com_8003_pos","N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide","--","C13 H19 N O4",291.08876,4.966,292.09604,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},361322.0453718441,407256.4995120597,9748902.667346347,3199837.621048413,470676.7541610146,8962625.974562656,2201207.839136613,310739.8690408712,2127845.737839568,697158.9627479366,4164748.18874213,19512654.83181988,486609.4394851664,411101.2484300379,353765.3978190616,406061.2453515341,11433931.86388411,715204.7107745782,1554936.978741682,300935.5248760292,349190.7288660966,390871.5193681779,447914.3592814292,355879.2651261967,419026.0609950777,17557940.31374606,402266.0412259928,348268.9260246949,355423.5000181501,311613.6920020734,381609.9934577136,296291.7366080845,242461.5679389483,325753.0778274452,340937.9214131917,330020.1872082307,314617.5900491063,323297.6383931577,318953.5985817861,304355.0688161325,21509681.58004301,5438778.287352512,315295.6635226884,12739121.12394413,1001156.386606563,270171.0825936936,391797.3332781213,298058.4835938592,320745.2905659141,1500556.087162465,508760.0012913051,311362.193902527,1634059.304407228,300220.1998692012,294346.2534489419,338711.2696167238,1769007.489684296,315150.2950163475,1187645.59488602,907360.5332335464,1095510.572338621,1041014.811244216,928200.8761722846,1092713.606010022,1308965.473439736,863254.5084428348,1102048.31197524,1157717.94395464,1057239.503212654,1173535.156958504,1058396.666364347]
["Com_8074_pos","DRH","--","C16 H26 N8 O6",426.20028,5.021,427.20764,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},382375.8930021831,321170.1208758368,448729.0664590177,526440.8794329552,385163.8389848293,588837.134111129,377188.3957408729,410412.9760432011,372450.7561573588,521834.8470875862,407512.6416250311,504105.800943138,416857.2397037143,333048.6891662467,361166.1105438261,475169.7568635835,547960.3529437301,356807.6024845488,296458.4409094867,6082647.024611406,8766518.472617911,16975148.43618445,330635.0656439784,8356504.390996493,3451483.992719425,497288.3380365088,953757.1492108792,21937487.62883506,13177457.97491472,5409482.043253076,6614486.817239566,3085435.810824211,372355.5827942547,347685.6606661577,9621323.356459469,326268.5568868266,8367410.595108876,293122.2458966583,354483.4084542521,12830434.41009317,500653.4120958443,314907.897405014,291847.6885728204,530696.204827544,356545.5777669686,349324.6011627466,452511.4836586294,385510.6378218829,347989.6726029275,384156.0286846264,413962.6377105904,345512.3581027283,313207.5264767068,341024.6096421257,299422.2330313892,343987.1935194299,409617.808818648,324262.2523316373,1479369.14364462,1762557.885536151,1868287.240552741,1548920.32154984,1187854.489367092,1247741.733079018,1426747.048982622,1349917.274932403,1688982.329530942,1154719.825418359,1476396.850838454,1609175.928977147,1447331.37828743]
["Com_8187_pos","2-(3-chlorophenyl)-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole","--","C14 H7 Cl F3 N3 O",325.02336,1.377,326.03076,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},11929916.41106818,4713176.13316098,3158805.324393684,2034036.172650691,3627774.773532327,1708021.416546824,3181302.828360155,36257924.69979582,3119198.383690558,1913629.784054446,1909091.599587663,1883331.176436479,2092564.631194711,3068639.248382078,2725173.884667806,3175411.75422179,2636711.429745007,3105220.964136831,2803409.735501218,2091354.804402219,2473315.700643991,2099573.79471984,2082104.184321575,2555062.056105281,1819631.939893948,2219770.39424213,2381229.806846398,2249461.75748075,2332657.083757412,1974363.616073502,2152570.059403092,3516032.988089574,3410309.49344132,3185694.72878857,2553394.996761752,3172930.704128036,2724418.82973844,2664296.019481072,3526065.307395787,2288473.244145523,1741943.910399251,3320388.64532424,3377365.555893542,3049026.031113164,3689657.607457092,4853430.156761928,11998617.24708142,5097605.658813683,4195784.926190752,3343761.976896273,3817789.008946361,3787676.073909119,2857990.691325308,3999078.138197677,27379509.19063255,3740408.397263034,3378863.798885171,24586339.50875535,2076890.62565415,2037161.78105337,2810456.051271759,2157202.664591704,3028927.418177888,2347148.981551155,2496212.477673139,2153497.001763446,2179805.49812407,1983137.86127107,2267284.688152564,2014733.752731161,2168993.688941056]
["Com_8374_pos","tetranor-12(R)-HETE","--","C16 H26 O3",248.1774,6.469,249.18468,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results",{"$nulls":4},773926.1935348924,522371.4012807793,3023344.783057415,2372964.463479811,1478389.237324189,5688417.726981103,1753351.571062175,807173.9716807682,2261812.401174995,2182958.986469747,21796215.97764977,5886652.180796796,1520840.973352242,316985.7312080428,580624.0061493383,885628.3606859173,3787437.643817015,1333418.998616387,2689406.12089183,3837700.146794391,3855711.698817282,1107422.518705276,1175161.091553322,2611312.894712179,1254752.86577985,7579617.750265391,685182.1058579833,5168750.331956562,8482297.909855686,6501598.071528688,2633241.253596394,2175808.215985131,934223.883276482,1122272.471505009,5321497.77122989,689364.9382153866,3232216.28889569,633263.210170672,721644.567931729,1858738.778525588,5938762.841582974,2547128.374738698,1437353.052056793,2774825.786306569,2444483.468115097,533668.8949465489,1139205.039071098,770213.3395005947,1258728.653898802,712817.8054394547,451645.644123404,653549.9344668507,808912.9590790353,345005.3553854765,712968.9509866699,693596.9261445431,613621.5481126944,666082.8575696714,1135359.35201468,1717640.522570255,1184667.957394425,1468208.039609043,1152587.627112679,1343539.334723988,1926412.597324422,1362101.683934033,1431481.321995446,1744268.276920425,1209007.434447867,1167108.871077489,1698583.79924016]
["Com_8498_pos","Methyl 4-hydroxy-3-methoxycinnamate","--","C11 H12 O4",208.07344,5.937,209.08066,"--","--","--","--","--","--","--","--","--","--","No results","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",316161.2999967907,338739.3781368581,12387436.76327622,6119525.778614735,267167.7821677751,10860010.40128343,616432.2761620202,260843.4279034958,3651786.077627793,7646671.277641301,11388978.34364256,20033475.46011977,256395.4473993543,210411.4904811915,188319.0615099336,1087672.236414544,16528694.06567985,610232.0864762185,2433775.413278369,2138229.715307566,3238111.461414452,2982955.476704037,823140.3178314236,1742245.137328503,1297339.591062622,7763629.123850041,860420.6636219764,1814143.051005149,2862391.27831935,1830648.461881833,1376474.780451039,917081.918352166,183348.4144485117,216053.221916499,2480904.350998787,220186.0728123889,3613632.346255624,441961.3639483761,202063.9109134109,1973438.042856539,19447312.23717022,1633855.922828226,334247.8318534628,9616274.27401692,425913.2914599673,256093.2361302963,337449.5220987151,205178.7457172064,302637.8791726034,1574145.946110548,246769.803729377,207265.7976988412,514268.4208233493,174877.636179828,426612.3067813677,173047.4326812732,256120.3569687312,302206.8496088912,4360804.11910023,4890721.718983336,3703129.153052638,5539619.461083777,5766971.468595433,5911061.509222793,6058884.12446442,7782844.872878727,7674407.726182424,4903323.922442562,7786829.240491373,9706598.520820102,9643871.949922536]
["Com_8622_pos","Sarsasapogenin","Sarsasapogenin; (25S)-5beta-Spirostan-3beta-ol","C27 H44 O3",416.32837,6.422,417.33591,"cpd:C03963","--","HMDB0030024","LMST01080007","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Sterol Lipids [ST]","Sterols [ST01]","Spirostanols and derivatives [ST0108]","No results","Full match","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1346608.344980072,1390679.444994733,23199350.91866655,28076990.99179225,1984299.100114457,12804510.60110508,1591042.230353819,1488365.801437982,6116114.3230224,3009774.752207691,16077352.90899621,16161801.28971095,1383141.671407267,750470.7802643871,1056293.762379766,9457766.525337618,15169970.74078585,3443183.850837072,7574146.170316664,850426.3403923586,1194732.118887836,608550.6836384373,651002.5320076771,886083.2758313967,435941.5229235469,9961802.070398996,1020587.78118102,1151401.727100876,654435.7021520317,741598.0205478176,675795.3149679858,819333.051281741,610581.656535507,1059912.763303722,1030737.617756412,828461.5537764479,760042.5185518294,731546.1660401218,788351.5416277365,586663.0975259215,12445593.40280641,9432982.28079265,1496284.45162957,30379013.00846118,2891181.537264805,1265069.456764995,5036911.200571279,912534.015227286,1536095.961856792,6187000.793937128,1228304.522438676,1034465.726444782,3814445.230937413,661334.6614661489,1076928.296460123,774884.6024073021,1207306.986265111,1593604.514673212,3032313.23689946,3374109.674080333,2363726.344813758,3068784.561510056,1939029.041150129,1650336.208722922,2771795.0035327,2821910.941391832,2340431.455746802,3172252.972503763,2708072.234053737,2623188.422690495,2146235.141235847]
["Com_8746_pos","Dl-2-Amino-3-phosphonopropionic acid","--","C3 H8 N O5 P",169.01417,1.288,170.02142,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},2559799.511820897,1649919.007586184,1037081.771234566,1277111.174247344,3786883.072060371,581548.928374894,2959406.554428027,3964602.301267489,2338313.34258477,816257.1021667907,871821.8537351161,674667.1257138749,1083631.90822688,1787804.891800452,3536377.788968474,1409797.481936623,1416164.436285021,1752056.891374898,1445529.82960983,2517401.420831242,4574053.955113973,3343542.205956695,1131975.106512652,6084303.41119715,1060309.161762423,1265214.906630329,1253268.98858793,1933521.478616165,6217615.339531576,4675430.134132864,4117543.626005585,2969129.556882128,3440456.597137231,1600605.832744928,4298132.326920314,1844979.054255171,4226416.343183041,2448988.161445104,1748961.777411249,18570636.60012512,570952.6647596295,1595007.010599756,1683153.646905553,1829350.924282899,1892359.492843627,2901969.106160622,2686334.293185823,2210209.441596434,2509995.470946029,1586047.041019693,2425529.064269559,1967019.295465724,1996154.611872961,1627354.59189538,1741849.98970695,2852996.496189908,3293823.800685348,1715638.397715458,1432397.24286538,1738772.298467063,2206186.793913911,2002088.059906592,2257494.222219464,1810958.699956489,1722669.229972883,2049391.424631942,1522687.118095913,2209751.866121168,1480227.083207064,1518709.288253783,2678834.982197068]
["Com_8762_pos","PC (20:5e/2:0)","--","C30 H52 N O7 P",569.3471,9.122,570.35394,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",8094531.221321883,1520572.67192144,2349417.44381746,973440.2557565528,2440958.352945433,181050.4116024707,5821020.149567246,9538463.474029718,2887448.782069489,9366406.002935331,1849253.487939689,2136525.703247005,12459441.50850464,2205466.968482571,3725632.722666541,2007137.577203488,1104047.841999752,3197012.049703726,3052876.856166438,6263733.59308197,5885819.161131505,3875627.491332024,754418.4044557422,4332368.109086095,374595.6908233857,2389226.874829844,759664.6032175936,1590054.842129996,1438484.888862896,2224162.065354977,7508744.123622413,2680663.018290894,6281118.256821445,4091329.805542625,3061164.339448002,1805335.051971785,7482322.507607558,3014866.631129743,5873998.879627966,1255989.623925234,8271004.764879931,4314822.37790169,5709141.150473481,11188994.52960878,3391707.337699042,3250494.144898063,4084267.679940472,7000059.811033298,7627191.896568202,6790491.391805259,5372212.531831031,3343337.185014943,6344025.351463062,4092675.289749042,6221830.023199298,5455862.804534039,2421775.684876664,9706851.273354502,9081328.23492634,8637347.088433076,8029412.452857343,8580797.540216316,7105354.992795695,7698494.902969447,7609540.395814362,5803868.859098826,5835069.97348607,6291375.717091159,7477505.362823522,7643589.20904225,5979087.228687313]
["Com_8938_pos","Epitestosterone","--","C19 H28 O2",288.20843,6.505,289.21585,"--","--","HMDB0000628","LMST02020051","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Sterol Lipids [ST]","Steroids [ST02]","C19 steroids (androgens) and derivatives [ST0202]","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",847227.3410076303,3133727.358169829,6807415.032861047,8630283.811196031,1770606.264091051,5180597.565067842,2534100.962283445,619491.2133833352,3212140.725549952,2039694.336217364,6746438.118630611,9670695.199004836,2207358.106607164,963689.9617736452,592273.4440083645,1218341.700329351,4759080.999673798,1125671.213683018,3235447.656394956,1144005.915057979,3571158.426979009,856824.9680070699,1079476.681274554,3642375.509381538,647147.8628306827,14818606.40714074,592052.9590689756,2695624.909265291,1731627.699466489,1001952.616983821,2430103.244035508,1228241.645738672,615660.3394789418,780125.0161255775,3769313.824555055,658087.7995249457,1638034.866993993,308901.1527659119,433716.0879629204,1566774.138370187,13855533.90547649,6002240.701150061,2468149.622296532,14465629.66000375,6979297.273499572,462977.8151823235,5751443.822531688,496476.3458238617,941105.6632864344,7149813.496219097,1200100.495202117,632759.6367033735,4722339.425514611,1316207.784605171,662612.7488336872,1469211.653394059,997260.9547362188,1093989.868103513,3040771.09673388,2510409.443825136,1786541.451204714,1852438.721719164,2626301.726639761,2185002.782980253,1810831.459000875,2162054.461653522,1569104.718276904,1804229.011948453,2682904.444795465,3073862.446617614,2661434.919144888]
["Com_9090_pos","SPH","--","C14 H21 N5 O5",321.14262,1.386,322.14972,"--","--","HMDB0000252","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Invalid mass","No results","No results",{"$nulls":4},2621370.129478733,2076678.059234548,8176581.330490084,3830104.809252601,2479039.447209032,8005669.271291623,2173942.898153911,3107051.116885368,3571405.358392978,2797043.161452133,11164510.94810694,17926705.3171194,1429953.784455877,2096954.254573504,1862247.240342684,2169917.233362916,13944207.80093344,2121952.365554444,5027550.213546978,2670891.229576733,3694923.896173452,3514347.208272419,1422805.639366181,7297370.308287463,3291687.782992337,11370743.71862624,1713426.097099831,6549745.598123361,4437601.226140153,2044590.651395897,3690577.525685755,3504336.039521166,2330434.574691253,2176944.102773796,3495104.600522534,2168221.808085196,3657264.267954984,1820646.358622885,2409536.295980722,4445448.522229323,12055616.57062607,5876472.217927217,2195521.562022439,7267769.311005717,2227659.430151743,3316590.903236103,2302201.394351524,2900893.653987857,2756788.841946018,2284959.337410104,2608885.65170866,2588307.981238812,1953007.588906345,2732769.555980528,2643044.512036218,2556007.620191453,2308946.16316739,3373602.230436033,2276166.81832219,2278231.801008093,3004788.598784146,2584186.024943832,2345001.687397712,4171335.164879052,2785079.17866125,2815665.912297651,2672925.865816975,3544506.473241417,3079066.591688472,2896045.341826925,2325807.745719619]
["Com_9180_pos","ACar 15:0","--","C22 H44 N O4",385.31874,6.989,386.32617,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",2063257.64839734,655266.2916337483,5272429.357895657,269214.6179509364,1464206.152244186,489352.6481767537,1952988.046687132,5006860.784719975,529503.272580502,1871177.205379413,900482.1914007448,573338.8550468115,361664.6679935877,495385.5454898628,798881.465118847,1350766.307311797,1005881.420272272,496014.9103846862,768196.3237118835,5244711.505392206,4656771.506297286,2997632.801297053,1457704.792548558,4389694.609824963,6024944.119771613,704854.7654730519,1674345.624714111,3312575.803910744,3523298.136764766,1728041.796903208,2113305.245001894,1324242.682615066,1216965.644796822,1125554.364708591,13977046.95979896,1848919.221797573,17892487.03244644,1555556.094111334,1661056.577720716,2971558.416180253,317633.4048005922,989695.5953885732,1070657.640091155,1763895.48946728,3390492.869042907,1408359.451579863,3484834.945373391,2405360.142839323,650122.6238045418,2275297.064677197,579406.6769506974,1302828.419615521,3069268.671956668,1369197.851867863,1841163.664282648,1314926.228482448,1295248.009251476,2074779.812640584,747082.320061703,1169629.323860466,1135782.474784016,1032407.033312368,819771.3881193764,864294.3978540577,836574.5316532265,847079.6586345853,892826.4907218518,776303.4264094423,916169.583243362,787818.6155526631,1092082.627853979]
["Com_9200_pos","Gatifloxacin","Gatifloxacin; AM 1155","C19 H22 F N3 O4",357.15355,1.406,358.16083,"cpd:C07661","--","HMDB0015178","--","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",6253672.578106835,2396947.62686885,8300354.285292941,2062553.676131079,1923666.087768556,6332394.125702757,1538070.799931733,4861050.256545577,2537211.186934404,1414986.330576714,5696025.653260365,6892435.653075852,2229780.14454298,1794852.843777834,1628782.253104186,1899330.424902832,5379651.406262773,1831348.817184763,1885732.194313473,5243946.670765191,3126277.022654057,3522351.412392778,3040980.632165962,6161394.547825574,5646597.921986954,6563441.163711395,2175096.926851081,6651614.566989483,4564160.249886379,2889233.780861719,1408804.921562418,1863289.461935741,4336228.726786987,5206028.444485632,7953124.620495118,2096559.209544968,1707350.106193763,2130166.975350022,2318854.396349797,17153006.26603361,5732676.124154641,3004837.31218935,6487603.247492143,3314306.089443142,2429437.577345292,4317704.725608562,6281850.825981821,4596208.10083265,2394705.069538132,2368584.154980177,1837682.83887752,9143716.014840916,1582525.083453463,8696512.688078031,2654935.102505042,2542084.509102901,2026069.214472201,7862726.072947282,2446190.13001861,5298106.846285504,1984102.787958563,2846794.002404684,3100619.155562016,4809727.111514101,3055455.443686689,3037427.938809073,3759204.157405182,2781975.208269804,3509012.4317872,3675608.126046821,4087803.61284436]
["Com_9538_pos","Noroxymorphone","--","C16 H17 N O4",287.11891,5.828,288.12613,"--","--","HMDB0061073","--","Benzenoids","Phenanthrenes and derivatives","-","--","--","--","Invalid mass","No results","No results","Benzenoids","Phenanthrenes and derivatives","Not available","Phenanthrenes and derivatives",513029.5943774886,1266352.688083573,1006356.739252818,1345104.718137763,390057.3701716995,5432468.900777681,546422.9597898116,419599.0786516668,633101.1931652477,431727.9356964244,515929.1073596394,748084.4147820479,420156.4155660367,300198.4338825289,291654.4049212934,352626.7040024156,1841938.460233863,385397.8267226173,543440.9311775579,4972081.026343231,1728735.016342683,2335606.825575578,369801.0696636521,2363661.528273129,809364.0616332357,1565822.71859952,483951.9314406344,2352919.081120499,7993754.7798108,2235012.802982247,7551301.731073066,21764696.53133521,403440.2594608177,416820.9911708435,2725784.526034494,354085.2406075941,8906018.539052121,326633.0320718842,335140.1352856064,2478648.822811122,1020121.290847368,1229261.040769562,543210.3823284741,4812081.916334465,464121.8963994051,457735.9075334839,566593.3985840896,409415.8503597943,509274.190949398,445499.4189979881,425715.8196817313,440673.1440454011,410618.2654355984,275443.8081995134,679512.7749632425,294603.6350462436,473820.222373126,408425.6187697307,611516.98017881,572862.7827395158,630812.9422481607,535671.5573385804,660983.46804178,590267.981387891,628586.3116382717,529748.0733993591,478638.4991644405,399609.9748119473,463362.0140980481,474377.0146337649,580482.9136665532]
["Com_9750_pos","RLH","--","C18 H32 N8 O4",814.45525,5.027,408.23489,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3998059.063422791,2971442.121927598,1703005.196507744,3694748.072438532,5112322.240430359,708314.8556244308,4627751.184508028,2925620.998845543,4712082.921553488,6233196.676231179,1456760.54161256,2010023.143383794,9723181.517142909,4319995.800803979,9209800.611560076,4180206.891551219,1297493.410645196,6362869.72601549,3147024.884195833,4900352.457513385,8407375.251825845,2261906.789659516,4433031.012666401,3231734.204255052,641304.0612414546,3304599.186716657,754829.7854010358,873272.8729060442,1824906.694861017,4374089.122867496,5038926.369731762,3640429.887205263,6460667.85287993,7254281.680598635,3194358.794750993,6603569.421555596,6054794.879892004,5939272.799389678,6173622.055177131,426832.6624800074,2276554.670572046,3356944.071545911,5715181.471321235,2375554.799680052,3822212.807231773,4092337.208224169,3403805.281750389,7429422.338362136,6378818.84156532,3296578.371145281,9077284.900098128,9518433.63996096,11583093.88649978,7972372.117209127,1808261.142395912,6029269.067879884,7070944.165361572,1368428.160231972,4590641.56008669,6682081.91967626,4832440.485603705,6114021.392144804,5724524.479593104,5778557.689009973,5158027.228822575,5318123.622592007,5673394.818414646,4963420.722258504,6508547.306262461,5015764.597611153,5468669.713805545]
["Com_9904_pos","cholesteryl sulfate","--","C27 H46 O4 S",466.31218,6.271,467.31927,"--","--","HMDB0000653","LMST05020016","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","Sterol Lipids [ST]","Steroid conjugates [ST05]","Sulfates [ST0502]","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","Cholesterols and derivatives",2111852.707712214,2019055.78941393,525356.073529217,728564.7899757798,6621100.560643233,6641536.709229466,10145115.39784148,620534.318599651,2995294.948261619,4644480.144043542,2391593.390955955,572215.6277593436,315759.232488321,807337.8332865154,204048.5848404623,15619044.99273529,5584360.814054984,3789912.093351365,8059937.896759737,2555585.804343724,2153749.481274582,264689.6951996666,1337053.793310028,1358366.806632622,2324615.583503672,2697629.90189073,343413.0233308739,1536000.241347998,1181920.812162914,2075407.688694333,2197474.954127981,3013553.732108934,3942679.682783605,5788844.775196102,2602626.821187953,2963804.708402886,3687187.058350772,2839112.608503627,498484.0081585576,4448475.590878837,2067238.117832213,17127282.43268121,2825998.342099646,753964.4498879472,6482795.139562942,1194273.848479229,1690987.7859033,8546596.843022421,369378.1269318871,2129369.739829274,1470815.824554522,7961910.52050046,6778735.266480041,990746.3620024646,501297.3883553786,3450548.294767264,320722.2093047215,1211080.125063578,3632449.16107896,4272131.757070172,3179482.115566022,3716157.771277233,2388415.875013132,3805059.392472664,3762307.263695369,3680030.327771675,2704111.400340174,3074163.757857727,3085197.239113976,3071470.322813382,2731830.950942557]
["Com_9946_pos","4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid","--","C12 H14 O4",222.08927,5.411,223.09654,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},1261613.944517996,1912704.184160919,8214273.326782097,4480410.283522973,1158856.193825481,9418877.573355837,3431647.454537688,1034770.997616074,2870642.477930784,3125064.756761674,6944958.435182802,7003823.364075801,1436927.192697803,1012309.234661857,876068.6425981993,2010317.164753514,9313124.116634566,1936561.524540398,3688380.878637718,8478641.24418963,9696361.048746038,12691721.16035594,2040036.67500502,11074513.38567731,3270974.983584285,6185153.622450932,1689753.492037428,15691708.44140973,11640888.71830892,8825227.121252147,8199270.91375197,7381583.979629276,2126583.309049648,1858235.395879982,12972265.44272698,1792959.445589066,11082501.34725698,2399075.842946864,1824850.642623216,14226208.30924861,9500862.976433456,2779546.861217888,1880426.58007832,7083755.49481372,1863298.332998156,851843.2224138163,2735188.026432754,1260411.00557295,969900.91789365,2560373.090662673,977678.538984103,879206.6632891307,2647535.010117625,922709.9011057764,1794823.822082346,1142311.934063105,1875808.37146562,1493489.457553074,3272176.07342931,2892425.470528686,3374801.402357908,3386151.873178272,2830957.824204237,3897476.284620938,3037713.441745697,2997004.31669338,3312212.714809114,3508407.162889921,3898272.903631831,3782447.643339725,3711707.585825081]
["Com_10039_pos","Vitamin D2","Vitamin D2; Ergocalciferol","C28 H44 O",396.33891,10.737,397.34619,"cpd:C05441","map00100  Steroid biosynthesis;map01100  Metabolic pathways","HMDB0242614","LMST03010001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","Sterol Lipids [ST]","Secosteroids [ST03]","Vitamin D2 and derivatives [ST0301]","No results","Full match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","Vitamin D and derivatives",412357.5230110489,212858.1061704702,2917768.315033735,1791018.464033489,199653.6298128589,4659567.988779093,591873.3035176194,57087.25071092462,654593.0086367533,589478.9939859037,3361860.746147689,1403241.33389959,29278.84612169156,48479.22594385092,42777.99656511528,239141.8438975537,2451542.880007423,206877.6362629639,721367.3427577438,782172.3380480736,1362887.31112003,248764.3175098913,283219.930960294,1216895.168739947,754046.5175464667,1009658.417608275,276733.3159938134,701214.4469171081,3241589.31957834,1766509.805561839,853517.8933068619,2113563.476853201,150343.7385104846,62013.57098890418,19656475.83879502,68748.62657422345,6108397.069696127,309683.6233672071,130870.7740582767,879985.0208552616,1430248.740703725,2253133.677887012,80768.1661505255,5152597.592768255,1690625.072857982,82641.13661599313,1055154.599622312,68961.21773264202,69951.98871229423,275314.6562181584,88234.773703006,51124.91095341901,1469542.270276703,59943.24032705855,128783.215353709,108860.3692612304,171289.768400257,235811.0594994997,814913.558915154,773382.2758863452,1322018.090343616,580791.3310928195,669257.6255082292,956122.6419551,677208.8378621124,905979.109090929,622689.2920148298,997233.2617545796,698816.3976037792,763989.6367843518,654452.8204956276]
["Com_10239_pos","Leukotriene E4","Leukotriene E4; LTE4; (7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate; (7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate","C23 H37 N O5 S",439.23927,6.023,440.24655,"cpd:C05952","map00590  Arachidonic acid metabolism;map01100  Metabolic pathways;map04080  Neuroactive ligand-receptor interaction;map04664  Fc epsilon RI signaling pathway","HMDB0002200","LMFA03020002","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Fatty Acyls [FA]","Eicosanoids [FA03]","Leukotrienes [FA0302]","No results","Full match","No results",{"$nulls":4},317909.426109284,416985.7442853986,344870.284959895,461956.5811316804,268767.7820770695,634736.4112703208,310530.6475621883,272557.5312750539,269271.1442957618,299298.4994579904,364241.5533408354,1063195.72278108,1311355.163979001,146638.3814899669,153481.3158412258,309981.4600247322,488974.3562374986,223619.3465218326,381830.9855543271,490290.3068045098,471529.1753533791,528552.3253369277,128592.6479389703,1231509.302374033,703103.1316763645,492635.74113726,282973.318498663,882594.4236590927,1125091.748859361,429073.142203526,938032.0931519782,435856.8075817425,170565.1882949128,330629.3717350702,4024529.833137939,291165.1297329552,2880532.726554906,338647.7647346911,176346.9608719962,14295811.02192593,832956.1405439656,432392.1269211841,313480.7855973038,930095.1094220164,270569.8279045813,230577.0253913412,357120.4362362815,177859.611073295,249657.1454967181,222024.739897879,169673.4278504199,268290.1917180178,566405.419485898,132661.5371089033,288719.4388352078,123840.8365242129,280309.4586715251,296809.0847232559,352333.152239638,345164.9447100317,324561.6953816744,403602.8075493595,396294.7240264543,422734.0597013236,352152.9092572104,505053.6384971998,250519.5620826913,551324.0001824154,444741.5960435252,346169.5864190827,358392.6157821171]
["Com_10354_pos","ACar 10:2","--","C17 H30 N O4",311.20961,5.44,312.21689,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",214748.1446442893,251149.1730085115,319878.6560895771,317623.8679931526,245307.9247690815,594883.8433626598,191475.9924367297,251850.5631684426,238164.1654666819,331698.7413737133,453556.2261348576,547500.6647849352,260227.0898194702,199831.8206804726,160629.7911111185,304290.3681263227,1771468.589938226,213341.8777799147,239417.9148760544,2286037.358121891,2586705.763446509,1731214.736429695,424943.5884837221,1415124.682032684,1039347.863254534,768133.4989971126,307109.9777867445,1860655.86297866,2652204.008610505,707771.1448766413,2160278.250500841,1874732.167689973,234352.0842962745,321447.5492501822,6419101.981019287,219913.444641915,14544376.67160852,355898.75690131,212513.3979195936,1422618.595195024,878144.6355353738,291597.5871199789,191986.2675618838,503109.9253278428,255056.9278476149,183968.621066385,263999.7272229521,226866.6093211385,217674.9858579218,188799.3127200013,198661.0542280172,211670.0598919943,169288.7761415715,179190.0855219117,312049.8756213729,176113.5003306426,223136.6074246214,235225.7770008329,423265.604208816,393320.7219692796,395571.0454381845,517975.8411052271,344777.4486392593,330832.5709182932,358309.325166391,358184.2556782346,391638.2760795989,361640.0530971603,519432.9697516894,320306.6401303576,502585.0525350312]
["Com_10394_pos","Sodium Dehydrocholate","--","C24 H33 Na O5",424.22215,6.965,425.2294,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Bile acids, alcohols and derivatives",2863768.004269401,405476.7850570392,661872.99153923,502943.364279681,527045.6674476379,914202.4644369116,6431236.060955458,2218955.671856733,440455.5214194378,3607554.501075831,554573.3301674748,1441093.690367531,11337692.27282771,140157.4961130237,1962941.134249105,292864.3923011626,420587.6927999564,214494.5857293345,354115.8901483783,662326.066825303,345380.171469943,271263.8176283276,463252.1973411541,1219432.543013948,1167467.843522635,366046.11130574,3804818.348155937,292550.3215505116,523373.2774433829,279049.6302229102,498774.9872702871,871528.5071336975,2667956.532323512,3638564.366022435,618162.6240884002,1013732.649391457,408720.0560481944,166205.2707424733,299850.9795765246,256015.8977722753,394399.4089687826,3215249.904777754,6777265.267912088,1054955.238619379,956295.7274047714,868119.7255109929,9943737.216247514,1352911.866380288,347708.8797942926,4653775.165728631,204845.8137957664,7949092.344168181,13686989.32613457,188577.8779653817,255393.1777879802,3812450.886655537,5552668.638049212,279337.955250166,2724103.53082485,2781178.900889392,1901025.202708337,2749060.082125327,3248173.271064297,2641175.346076079,2802468.572835974,1602642.492958657,1375344.803360488,1521942.474713927,1433308.075444333,2314032.044348293,1874721.857867573]
["Com_10483_pos","Traumatic acid","Traumatic acid; (2E)-Dodecenedioic acid; Dodec-2-enedioic acid","C12 H20 O4",228.13593,7.981,229.1432,"cpd:C16308","map00592  alpha-Linolenic acid metabolism","HMDB0000933","LMFA01170002","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",290902.5329278173,371772.1308091358,1132564.233573392,215434.6863321837,197942.6615906098,315499.8477993838,697473.340460005,615372.6011362522,319155.0480835144,389796.1810006607,347706.97814082,502347.3402177531,11701362.61781958,294293.3942018022,511467.2941798383,303362.5031371982,177926.1692337359,267516.6523387389,201546.4826505579,451712.1335835569,208076.0582238878,143070.8773848983,85417.41825816175,487507.6596470465,921802.7199048856,158233.1360623768,331251.0466011264,278303.0858724883,311931.6996236985,162969.2355912543,323617.6451339012,238391.4898070721,308931.650326864,261245.0563484194,271994.1345006019,283654.2579427236,182550.2861097434,176148.9537149106,232613.5120916609,126715.2540460841,204872.1536427187,395171.9062031255,5400058.566794357,223371.990597306,652894.5493528512,414026.4560596863,542249.2893987411,283004.5365786812,340491.633493886,470503.9933867324,273283.0355098299,397795.0915667453,4587137.410406013,251621.8720941088,431809.4110517716,385087.5970846161,252731.1779395984,362884.6276736054,297152.480175484,309746.4987476764,320077.1815933401,186862.258257682,340619.9790700583,247820.3045492552,213876.8211971189,220094.5022622889,304470.6674904285,384221.5106172778,269949.3856275295,196256.4395145731,313517.1922080705]
["Com_10963_pos","N-Acetylcaprolactam","--","C8 H13 N O2",155.09471,5.651,156.10193,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Organoheterocyclic compounds","Lactams","Caprolactams","Caprolactams",1252245.099465866,1942447.852236738,3007510.536036487,7121518.877821685,1850941.248737014,12780240.09950794,5692818.199156576,983882.6053444272,2520438.048494854,3626747.287577077,3977293.977164635,7706751.550873425,1487578.929383008,977151.8893604386,1065554.732896134,1169633.942672181,6212181.71223014,6179207.526249321,5658274.647100752,5056305.71484078,5330515.595288061,2830479.46213318,661388.8414768407,5535931.040879933,971025.0613920362,10456365.76721096,305251.720441008,2168410.30525947,4420085.641267186,3967621.765802068,5708180.042488161,3605612.165861888,3993342.906536444,2345827.26468771,4528703.790280287,3351670.420361458,6905660.484502462,3618535.280642137,1991789.426137261,4577966.462029514,9221952.342255205,4117451.664663673,1939054.482109972,7282101.88198388,2925918.350050888,1212247.669420958,9430952.45061826,1090431.024338997,1356799.605890994,2666978.441454312,3041355.457847832,1149346.12349714,7205978.378467212,1380416.572756752,1286731.094580373,2292822.416558448,4432564.303618642,856729.7772169927,1839913.36692759,1922887.665108381,2051232.577864502,1795083.918100476,2662051.433737037,1692775.847964298,1628333.786227148,1821177.119472532,2281357.796437788,2052922.228649478,2469524.366052514,2338548.619422897,1953952.021971289]
["Com_11297_pos","H-Gly-Pro-OH","--","C7 H12 N2 O3",172.08483,3.997,173.0921,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",627579.5190923419,741421.9228584584,620906.2643160872,787974.5172037598,662366.0462669793,1129018.937867719,857623.4407214829,884500.7244428626,570402.3812208979,711260.6430271334,859149.9763004617,839979.0141984005,703748.4083580794,587154.8714470123,555588.1672677485,989686.2227834188,839465.757618687,877485.3342381842,789969.6188682447,1767988.713670126,2490213.695084154,1793622.941359993,923910.510716318,1759896.957977224,1079913.579352477,892905.5784694183,1485624.197889175,4494486.019352796,1530809.989393898,2115858.294341977,2053827.126620662,1196740.543133444,580967.9575614955,900937.7638144824,5882046.186556495,1087046.702270926,6429697.226936295,1041044.854124947,879278.7415614666,12011476.8870274,917630.032354284,862476.1226061276,676803.8034584046,951159.443174106,815607.0451283775,756112.6396814418,976845.1620907582,674479.5005106456,835242.6059305007,938024.3124219402,683794.2410286191,690846.6326072678,596416.2349990119,630580.19573754,1172778.011718794,639187.9096634876,787241.7935514052,1267908.65446182,783700.211851218,794188.8154736322,744879.8649540105,842232.6851829735,1012470.813222094,927731.9551989088,1036207.814409694,782604.6969907747,885274.278325583,1132124.814582407,1199768.4571651,1285893.173935313,735375.5628784089]
["Com_11350_pos","N,1,5-triphenyl-1H-1,2,4-triazole-3-carboxamide","--","C21 H16 N4 O",340.13846,1.931,341.14578,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},1068659.122633912,698834.2709025244,1137665.679808788,1223654.187459915,1063819.699160226,1862652.561710761,1273405.341132926,1392730.234932025,933687.9730394826,1279553.094979514,1328720.398758008,1867169.019547296,642682.3925068455,1041042.06411332,1064517.580233442,1343662.323386181,1961442.085377516,823452.2737123489,1161721.202031405,4503916.962863557,6183722.651841047,6643310.239872826,1211494.116722682,5799379.098127163,2387442.25291908,1449522.75600859,1763274.315803186,12471109.95986317,7627325.350183703,4962550.492873504,7192564.018169149,3743241.609019378,1147383.957949568,863830.6060348105,8612211.770885548,880032.5529724185,6903495.276550085,1126955.477882768,941316.6725480006,10835291.04833156,1945454.14254493,1092007.073401877,925413.089665525,1132089.039544218,858693.6109876949,985970.7762288634,1080150.180921032,1176175.891838737,993910.6792481936,732144.9611441226,994074.0216160172,1218581.93037482,766512.7133699406,1262212.54142155,837502.5290330099,1096801.78032139,992665.9629779868,1105037.498828557,2139724.74677898,2623632.687528732,3578394.673988223,2840530.541606929,2092680.791868981,2293432.754304326,1951233.623296015,3286000.693130158,1923225.173485338,2021532.595800106,2998528.656905138,2386294.580016732,1956376.072595148]
["Com_11435_pos","JWH 018 N-(5-chloropentyl) analog","--","C24 H22 Cl N O",375.14588,4.905,376.15347,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results","Organoheterocyclic compounds","Indoles and derivatives","Naphthoylindoles","Naphthoylindoles",2328051.178546517,6863990.479379469,3126036.544856143,3022503.671322053,5462316.565143101,2616339.871955227,1786055.569377341,1251733.898865166,2435190.857185098,2705364.680863431,2050123.228605458,3253470.995059691,2041559.880613822,1978138.93528861,3629536.53463504,3333871.784770004,2805261.422688707,4620659.219228082,2534302.89022504,4201660.238319176,4474515.594777768,9054458.156273456,6026704.389606634,5805504.701169664,3567876.969578318,3694144.107231756,6191672.212517856,10950816.60847654,5557790.353543244,7708718.454348445,9533810.530138,3336842.74623058,3278126.290180776,4506378.442612595,4974199.590536714,2055547.463701844,5460190.503465092,3991782.418865722,3148846.767545775,7322778.177039689,2439915.111730833,3339095.219554441,1574516.889449682,4155959.387131799,2691627.122133928,3713742.639214191,4499154.487605904,9587685.093094105,5445144.530380378,2216880.749335802,7867859.498579651,2513348.049101366,3758567.255194416,2077823.041263495,4272474.917580714,4338761.302381928,4599886.381611224,1097844.254167201,3332509.81978969,2967739.93860805,3103297.67593774,3729235.732099614,2808255.089138028,2611801.375748413,3098007.298998184,3031117.705258377,3068418.580435456,3385816.734249156,3102333.317988224,2640153.566495536,2938204.986008617]
["Com_11605_pos","Ethyl chrysanthemumate","--","C12 H20 O2",196.1463,7.101,197.15358,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Monocyclic monoterpenoids",1487618.413000451,1862607.251552341,1065679.357995984,688544.2608388758,2122256.934502217,859026.752513629,1470840.961838563,1360707.038150743,672136.0509930792,1113800.613069132,485095.457576107,715122.0868326185,1389731.856512673,1180830.171438982,1143822.230263721,1302294.801291472,13577821.50290517,1611691.519848258,1054789.026519388,782080.7728955395,785218.5732390207,696161.5100232108,511230.2066866265,753435.2075180587,509410.4322280619,599797.6797134101,689342.4392564499,636807.4496770127,475581.7073865068,693563.1118297839,523498.2328266344,918951.5589749364,1814035.890664505,1188055.916090875,426042.9037969624,1768583.557226834,550738.43427637,772112.7836432637,880808.3135874369,467158.7391214291,582088.5196852986,953224.3756061866,1262083.399371025,1093966.915245007,1089199.324771679,1145039.737121436,1807897.715609621,1067990.783497518,2249734.840588072,1203225.216924368,1177825.639778598,1338062.997267813,1285477.214077259,1061274.441349064,1331631.134383197,1293256.951689911,1874065.02684202,1950556.307283173,1171495.03334987,860542.4603038115,1046452.414223533,1119415.120020682,1012851.776270518,1099483.16932364,936416.4219633668,800496.0700450852,690849.7294559722,748241.7484035641,1044450.803763716,1066315.737655525,878642.2046686164]
["Com_11691_pos","2'-O-Methyluridine","--","C10 H14 N2 O6",258.08509,4.059,259.09232,"--","--","HMDB0240328","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",2546499.83462638,3246286.870798032,1809767.094857557,5657997.16184987,4627220.088553417,6191050.55702325,3859450.366784476,3126107.340630947,2839712.985560544,1760089.44213072,2296904.49782814,2497717.848124942,2057060.257318824,3971629.893819485,3493668.191104889,3259310.447338095,1614698.266110316,4763415.353074972,5787948.924288209,4005883.847531817,4453375.376114713,4948120.537062976,3098440.401205828,7056277.124855797,5991793.214691221,2092823.844906536,3906518.370616976,2082663.648043574,2879533.039600816,5245968.078549954,5276027.088793577,4876651.356083381,6419256.316203711,11358963.21189211,7614146.147635823,5266991.099988036,11715678.41592716,5756289.334692779,3636178.775772738,1035248.955707,1755779.571775427,3605734.496980574,5017406.132539233,3043456.758964981,5540779.500148254,3822173.529467335,6183908.775627119,2738033.296409458,3775813.785869438,3452130.395972234,3576122.071255694,13757239.20791882,6876503.168570077,6970089.846193883,3816352.643591851,3944050.212827295,4614260.083562082,4168931.9899183,3013148.95610637,3235430.170050228,3594823.571213133,3256269.975374545,3375458.719354391,3074632.599731608,3886694.253730676,2893667.195023834,3910910.006267572,3157006.14119237,3612392.879376524,3904535.434150785,3647318.310929616]
["Com_11786_pos","Vitamin D3","Vitamin D3; Cholecalciferol; Calciol","C27 H44 O",384.33885,8.008,385.34613,"cpd:C05443","map00100  Steroid biosynthesis;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption;map05323  Rheumatoid arthritis","HMDB0000876","LMST03020001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","Sterol Lipids [ST]","Secosteroids [ST03]","Vitamin D3 and derivatives [ST0302]","No results","Full match","No results",{"$nulls":4},268243.2240364045,508590.8118060877,4516388.527429486,3722620.452928927,272235.3501243348,2786549.775210451,1025588.978045929,359203.2544773085,2174935.473904909,377291.0546908593,7529041.89501502,5441985.593276399,296482.6026697168,151530.5128261377,290154.8230119551,442753.8508417177,2470940.818660412,718575.7832180159,3280850.93378157,238733.9487091835,1307228.761685026,368141.642225368,132713.5563529993,1255987.260638796,169973.0198440772,5752951.910581775,236689.5832337655,3160851.907276533,204159.9193334825,223570.9243272659,707362.5744115133,385744.1726627909,210879.340878728,426635.4936808776,907611.3561237742,177083.8566143697,263767.1172288427,105799.1866509817,201107.4770173686,607509.5211801613,9216823.5433566,2846386.882993564,337930.8992757797,17788995.89015161,1585505.753527809,301123.9239522924,445775.8636390604,194278.1240932373,194641.0187103523,2768745.007146413,153294.8349717507,274923.7750812157,315910.5093317425,112966.2225636801,141186.4913418928,164230.7161887635,225918.0580435666,258036.3647991917,904845.658783956,1133166.394728702,510567.4637086588,1120916.933142193,731462.4800858028,756228.75116709,1121728.025319665,894724.1215418036,978182.437440774,922337.4098816526,735094.027347794,679255.973348982,1104167.523268624]
["Com_12123_pos","Aleuritic acid","--","C16 H32 O5",304.22466,5.982,305.23199,"--","--","--","LMFA01050101","--","--","--","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Hydroxy fatty acids [FA0105]","No results","Full match","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",377812.4847143851,413266.4049620142,6752684.423261865,3048251.223460681,612961.3931196347,8302945.748854985,1633510.864670068,232734.7713735906,2060374.65584094,2882355.166972074,9640749.88207938,10124186.9791605,277808.3489037656,233758.440575441,195152.3447631661,1198296.593011954,12274039.69495916,1059472.957680503,4236516.01502035,11679835.74357714,3043997.915373859,2685805.436715989,401722.3625021416,7201926.510892841,5368309.199261687,3885220.052824184,520718.9728633036,2664622.886390198,8046525.624254508,6855115.06972565,3570517.572931836,905447.9111431212,224271.1195029386,239566.4576885124,3042639.249846128,417549.8433143151,1779185.639133752,646996.1226388175,212051.1727133864,4331633.859988267,10123489.88325499,1088173.313439801,343805.0023589543,1615391.615357733,332317.5928572806,253617.5131508829,422237.6091061224,225237.0421795145,319602.1851131261,298397.0584117706,221463.3472833394,202894.1695459568,442767.9685514564,147200.5383447263,371338.8676102842,189943.9573483143,668958.3208096721,366866.6252067288,1366966.98763534,1990195.583160952,840307.5843410775,1448054.503295315,1384499.44602219,1588903.045557526,1691614.139593066,1530931.241645131,1912742.146722035,1356396.150900406,1653411.107971025,2065673.846959216,1397734.805735142]
["Com_12329_pos","EMH","--","C16 H25 N5 O6 S",397.13452,4.933,398.14182,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},8430939.566584034,3612319.082702288,3764524.356546638,5389762.841540375,9414338.735228032,2906016.058487808,6665390.048195518,4168775.753282635,6502772.807285306,4020795.526409047,1349738.967829189,1707064.730949329,5789394.978575925,4257003.060385975,7479040.031202178,6331980.446735842,6538275.88235978,4750785.14282193,2681806.987029398,2175033.585731783,4854996.742244622,1825178.679315438,4464117.420430525,1270819.86338691,2352868.948227466,1799552.190770753,1475384.238717104,2620951.594901213,1404118.219081427,3578905.396966914,10942541.6104456,7156469.808566772,4139008.824554581,5149141.385908423,5216818.944278513,2914938.846204476,673829.7556936586,5942085.505133498,6041436.550681202,1005637.356725671,2820608.56514077,4096855.810804434,4059627.103963945,12757793.64086857,8866867.710677495,2098250.916155313,14493430.79134702,5295801.490891635,4367592.790794187,9748066.643967783,3874709.849288627,3844970.42137576,3134638.41776861,5648871.889630676,6991956.982181829,6099350.315515542,3205668.602958688,2861343.31608702,3724059.73339811,4400492.554799804,4527408.769715977,4636563.496670334,5445992.475691124,6424893.714890422,6692605.211683741,6508376.760364316,6751907.42354488,8446262.935411943,8851091.054492796,9166355.77849011,9862493.416501068]
["Com_12453_pos","1-allyl-4,5-diphenyl-2-(2-thienyl)-1H-imidazole","--","C22 H18 N2 S",342.12509,5.212,343.13239,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},272339.6391868497,343325.0369091334,7363666.539291737,2614056.914109238,509280.8822686349,15973881.10404537,1606954.185044628,252869.1689941829,2124046.430679373,1155693.351443769,6005011.450199259,6979726.352989986,321913.0256998651,253594.8323678691,243676.3949531857,353739.4169687302,9211911.256688297,665490.8679145164,1581295.396820994,621316.1425560396,734048.2364610108,1794037.970858148,352418.7737754073,801510.6577806576,393451.9931511109,6633755.467287915,386243.9421379044,1427657.187913311,726209.6166087133,517995.5228722193,333299.7745892869,248071.0978840567,180328.8608918361,224436.1242095358,901539.7090722936,234193.3085470425,294754.7707185908,259883.5986890498,255359.7799130161,992986.1366555488,9464659.570023907,2750158.070353038,234378.9111433309,6265253.891818815,290061.6176314356,240689.0761647604,378678.4029760837,239823.7689598241,233514.1100696473,1494454.228914365,303022.9089833708,196670.4300728916,615972.7827069383,217700.8228493941,241251.5947152973,354397.9036575697,531555.5005525012,216954.5912953351,889320.016094935,607111.1197861548,590218.597352362,933112.8377475148,694044.1973931604,706853.5347170595,498939.7507570773,996435.0631087784,637660.0127172546,798688.7029943235,814942.4885964897,978373.742560992,619973.5189590052]
["Com_12454_pos","4-Hexyloxyaniline","--","C12 H19 N O",193.14686,5.141,194.15419,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},496717.547592829,462432.6958067056,3133147.626373726,1326380.297062468,506693.8634127773,5219703.46277437,629555.6338517591,408466.1489591869,866191.9857400628,1373473.664694427,5153408.723076006,9753981.349225145,571515.6621640949,611057.3591389282,605666.8908924275,538900.2723956895,6194987.882247005,554430.8647289567,1492021.011746972,1483384.992001727,2353501.452890175,4608307.173081886,633133.6135422741,2883260.93300472,1059251.216200395,8234642.386008553,592465.3583791777,6644954.087513443,3086021.565273017,2168574.119367103,1756561.828969638,1064332.52901276,502668.0459240169,581640.6703865858,2383301.714122977,537326.5880826386,1628613.49657511,618278.9791206147,527917.8180434951,4353903.461286896,7176422.488481623,1379267.083898376,475061.3929249305,3395041.334140932,568805.4592721286,511792.8927768474,428179.4061848323,542790.5512213537,476799.4860682687,573658.1973059746,649559.7889117672,540173.6476263292,476592.4898964265,549788.402534295,453521.2977036561,540442.5597280784,517217.8417039153,273312.7430069224,855187.325143124,917990.8951830284,854439.3442490626,831087.8340889073,1219681.61663861,1141269.578609551,763567.3585658389,963756.555730396,1276178.889054537,896573.6337672728,1294535.159007847,1094198.423918697,1271496.202060558]
["Com_12669_pos","1,3-dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol","--","C9 H8 F3 N3 O",253.04092,5.463,254.04822,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},209373.6415334866,318261.8548598413,4123537.519320694,1962535.138422242,248692.2560172175,6261145.736922783,830582.361824318,255325.1583393643,1724891.321295218,2298727.688272376,5527658.625916743,9883719.440011157,235093.9076077658,181715.0664136322,162845.8810395236,433248.1859389962,10177937.91937364,714809.7123010295,2067221.851855424,886157.3816644287,671425.7164148455,1128263.17761955,219355.4007956793,1038304.619257797,365333.5997429584,7685760.41096929,185386.4504980998,2139122.814096532,1635280.38998215,800998.2213264279,1117958.240345399,600942.607461914,231963.0493809238,211248.3660618348,1270232.147736243,228951.721162648,1075103.209237064,246360.8520208385,218088.5130498104,947670.466479645,9842583.708471952,2344573.295334999,201179.4331857644,4366351.500406669,451894.3672383955,190332.521722338,277816.4970380152,229996.5194363812,220678.0859708525,452667.4368954016,201401.8332478729,214590.3145012228,789559.6915859266,181662.238047594,325621.0297827152,152349.4881686995,497957.7628074513,269289.2795399413,869364.587831011,708477.7666241308,923012.6829219476,766396.6445516519,873412.0612209929,677634.6671184304,602294.1514669065,775787.7594896158,515556.1193590568,942733.0183274256,724443.5227057385,985570.335084882,747154.3748533891]
["Com_12791_pos","geranyl pp","--","C10 H20 O7 P2",314.06996,4.771,315.0773,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Isoprenoid phosphates","Isoprenoid phosphates",1515737.223265142,1686464.311430341,1451267.880198595,2169879.823218879,1584116.289607889,2718266.169265478,808595.4786218138,1332437.224878676,874947.741985926,4562020.707186574,1476406.93996597,479357.2517285355,873515.3049197812,727737.0848830867,768800.2849430997,1168354.408307892,1362128.431695742,862918.9292415113,1932880.445792512,9042618.410015602,3207094.156503572,1859245.03088286,827309.6341570595,7029724.110200126,1941154.019443821,724494.6302602882,847453.1009008511,697832.0926288762,7643600.582192526,3138386.601091665,10137385.09583287,2607453.270670051,613050.6281163744,966388.789156928,4870177.665989297,758728.6994425622,6934213.468191859,886404.9849574179,857952.1066254091,520418.2766636776,543223.6041928154,1105678.793794244,607924.685454649,1316873.568012485,1796643.079381305,820539.6514578761,1974711.141136013,1013584.101386639,659069.2321899681,923765.0051368012,1045889.674088964,720964.9435469084,1656713.385736853,781690.7119713312,668785.513592119,1012785.899977736,809828.366254925,1086403.58116156,1757939.16610646,1505345.614192378,1554207.595434533,1696571.488963475,1321966.691483079,1749306.528306657,1818319.8362345,2098776.661061619,2165401.39333738,2158021.549307837,2057770.729664271,1903074.525372798,2209113.253205059]
["Com_13000_pos","indoline-2-carboxylic acid","--","C9 H9 N O2",163.06332,5.503,164.07054,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},977159.111983217,1020191.563959794,1642301.567119897,1459641.394017936,920370.0657117126,2714148.572222938,587618.4387424032,335743.9263933741,706193.678495921,719614.2882342831,1748760.129077985,1155068.252817757,205249.826330664,286972.0615153719,281526.5269052529,554444.5025844907,2162742.265323623,582888.1300014702,1187090.823152604,2109137.501029354,3344830.95368356,5117551.756391434,448930.4834644498,2979592.609381133,574894.8911326344,1584412.400044287,195904.8023647026,8894516.847463118,4441972.500293528,3822727.438752338,3517399.684403566,2265190.378253913,290806.6924699696,321736.2256110743,8415547.360035978,550065.2019420575,5917800.634405696,799549.8694075507,454847.1096495918,9157610.13858001,2426135.221336286,918462.2916419456,387702.3063277395,1329474.956766492,717859.5690966847,392225.5763021144,953489.7127410764,295275.3166068452,990505.3405143392,393912.41862119,260684.6888032826,208193.4326056317,894182.2798343468,237226.1704582596,836353.319107924,193334.1499395737,395559.4103647366,534184.7370386617,1545788.01534132,1536368.06927984,1490636.036437611,1453921.321239681,1730152.906458267,1514528.542114654,1512492.364771442,1276264.813329087,1138951.970146047,1284852.292750076,1335919.276798357,1089162.501028656,1165586.335167588]
["Com_13046_pos","N-[4-(4-methylpiperazino)phenyl]-2-phenylacetamide","--","C19 H23 N3 O",309.17995,1.218,310.18723,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},6072968.8386601,4356628.001307174,1895233.224338579,2725946.731630791,9959827.808637658,1307612.373122138,2185814.41287065,5899131.225247148,1404224.340022849,332654.5591204592,674051.1584989058,1121151.749793473,960810.5070508064,3053666.216425217,3986122.477372762,8497897.08550821,1492937.74043339,3730017.883285524,3424564.425508399,1401934.418578554,1193196.227672838,2456012.136329287,1555290.542352185,904976.2163305735,1081731.585607561,2603126.852862006,1424373.249041832,1244249.761611509,858606.8645286962,1111184.177158338,5146236.217002781,7304988.564446386,4413393.332312614,2991419.97960638,6909896.405093749,3097589.753160592,893419.9209717137,1901388.158546,8833283.33151037,2052245.002735353,1036723.27970306,1520563.866607617,3389727.672645648,1023599.295890458,8111791.302878221,3593023.225007755,10154108.75122105,14019051.53006284,6510731.631354162,4892928.547180862,5156371.036311567,3230840.411825196,3785797.93942531,6717511.661196634,8382275.639748496,5716613.587248411,4547952.673072848,3947686.139008461,2466139.49768135,2375417.766756965,2036257.08478878,2373026.865594374,2285085.280844464,2698656.45291954,2528606.076671996,2680678.881917471,2664509.876511454,2822058.409668297,2065237.883567046,2264086.740390317,2423657.035345888]
["Com_13329_pos","5'-Deoxy-5'-(Methylthio)Adenosine","--","C11 H15 N5 O3 S",297.08895,1.281,336.05219,"--","--","HMDB0001173","--","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","5'-deoxy-5'-thionucleosides",4178477.938119356,1718364.97030282,1052534.994550877,988594.3552785026,1716108.924153297,561384.2299164726,1267054.717644275,15327967.770504,1424950.357869128,724652.3742508953,544065.8105220413,684720.1244715524,2940450.620209537,1494353.982050766,3179796.998476021,1327167.3846771,819755.1379658404,1701991.44451216,1277023.387239018,988407.6834175916,1053155.75473899,630683.8281272675,986447.4289136558,792119.729339124,1076108.488985718,796998.900553346,1120666.573241196,579007.9369301127,674385.5774890878,1054741.166048276,799028.7783023007,1578684.773971728,1502234.778753736,1592944.549525784,698819.7549801604,1798885.640714162,600131.3117967916,1515252.386110327,1704853.849999594,712280.4191439019,552884.5966563282,1148330.787984854,1192340.624968125,988274.274033751,1362647.558139962,4613568.396979324,1964518.879690234,6384812.590579636,3093698.102495999,1583361.355875844,1689382.952307599,3713541.402147454,1164100.138762487,3618721.203660304,5279440.053653903,4452624.741086175,1711811.908218791,4640931.402714069,1369099.07938426,1623745.436320448,1122309.601327526,1433281.237853127,1521739.973046266,1373798.238106037,1527134.738911548,1728438.680262182,1576477.663800699,958423.7547386396,1523672.771818133,1730355.742445468,1054685.112557129]
["Com_13547_pos","7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole","--","C13 H14 N2 O",214.1108,5.559,215.11807,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1652928.878634673,1983308.789495732,1057668.805472784,1029590.01730502,1279783.892670511,1484822.541640078,957223.57493998,1149297.948869651,1267412.643780401,690817.5782589739,1521854.773508991,1308121.310411714,505489.8911235112,944832.9368697514,937943.7245460488,1218288.326391193,1429983.883600321,1565255.749943028,718326.0929384377,1389922.219568997,3211968.807590597,5750316.263004177,237257.6925885378,3404645.012376005,358835.8294846738,1827202.928633704,218955.819549152,8805178.66946193,6393103.4360039,2181040.467344831,2550066.327007211,2573188.727981607,1455127.045291308,834486.0416638483,4079092.69213133,1297722.227670685,6694593.895875021,1379067.425237913,1416831.43607248,4516102.78601955,1086812.251897373,1531833.488346887,1232490.449680062,1260818.607934969,1254097.132367959,1233878.658930363,1313050.864348508,1107650.354685105,1653374.717960807,1319035.103334833,1303641.480889819,1495571.601972016,585309.8093576739,908784.3724639136,2119758.74989958,920650.075917962,1332593.707322938,1341193.890437342,2350532.73699555,2232072.474113421,2091960.875359649,2073856.193395267,2405795.129625516,2142302.891802723,2103135.94317606,1844164.264127682,1754811.607949086,1831332.473110694,1857609.277016737,1725817.802884832,1620759.597511262]
["Com_13775_pos","PC (4:0/16:3)","--","C28 H50 N O8 P",559.32707,7.255,560.33435,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",1577561.483805451,348405.8817037882,667811.0927504948,661806.1648655757,261536.7618503357,754156.322804993,605245.4646645079,6779366.660657454,417985.9163889913,3056635.799996898,501861.5742398948,510281.0950789498,6947803.611109087,74198.45474686503,1435152.073048317,322716.6614586381,667683.8845664619,233851.0537978841,339602.0907944768,129597.5462256357,307147.3030226248,219474.8926396203,51635.19447311426,227736.0690167336,73004.11755624462,389690.7290717044,134563.7530269866,466726.7358166679,245459.1387221053,113368.353233255,756121.8859416558,276374.7136929306,978035.830298785,1647113.716897564,517259.4693184434,108416.2073542123,819181.7580691603,219209.12613408,1412225.482022752,92623.22712908906,500473.5602101118,920781.198588473,2220452.588169967,491839.8195452101,370202.2143175162,392266.9223402147,2320532.132042396,934006.3135649732,889537.2133311849,564822.4422755415,108785.2852231143,870901.9746738492,3440140.290882709,191048.9776139146,445967.8868299723,417189.2918444535,177481.0289614491,585874.8861043596,2185811.38735804,1431224.62319112,1210172.555398496,1412145.125715498,2061922.896315693,1353288.613076269,2333481.710449227,1561757.48204185,1069845.026001118,1715179.707336001,2008612.565001099,1643508.606124687,1182349.751211423]
["Com_13842_pos","3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one","--","C15 H10 O5",270.0526,5.654,271.05991,"--","--","HMDB0029521","--","Phenylpropanoids and polyketides","Flavonoids","Flavones","--","--","--","Full match","No results","No results",{"$nulls":4},708086.5636445504,750834.9114481981,767381.7391519061,558342.8749036271,611354.9919655421,862458.1206328304,591123.1867989568,513367.0288565029,467200.3609963049,3308883.25431464,532922.1392972802,680184.7525758995,386960.8661613856,455876.63052948,380226.3105057767,1025020.583789655,1912449.101027292,601673.753773307,523962.5803912506,3374326.593063889,2578961.682692947,5369886.037229046,999364.4415258958,4069783.527893456,2381089.42747834,597418.4642079237,243149.1319006509,4700858.069977783,2213585.103530136,2863965.506138419,3295854.550074405,1783254.218777205,435752.6105084162,456065.0944028189,5383530.355715744,595701.3757211436,4953336.979666063,555195.6085332085,479140.0756303846,8047851.762257407,801698.8792475936,636091.3867905928,672839.8734846007,718293.571080698,523805.6528815043,533750.4936703793,798200.4696633057,470300.4839546882,657205.9728646023,539548.8587950465,530211.0478892367,545202.9172043644,375311.1674789028,473663.0304567218,922119.4378843968,399886.9034852155,705561.1438720742,1386379.45490382,1569769.28832563,766878.2336345111,1110657.655375238,891470.8135488658,1143466.318534696,943962.8381982476,1004787.166690424,745455.5316417058,1132384.103331034,664546.8290164174,1015686.869163383,968282.0032883557,1097875.169233275]
["Com_14024_pos","PC (7:0/8:0)","--","C23 H46 N O8 P",495.29585,6.023,496.30313,"--","--","--","--","--","--","--","--","--","--","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",389556.529533223,510961.6326783839,885048.1334764031,1116885.185646018,329339.8554350911,727463.7189167544,471029.7291889194,239318.0080890441,548540.0515063709,571611.134601612,469997.8392407256,358107.8087347471,280032.3384377065,179686.2071336115,188071.330501371,379844.8082085904,384537.7980464659,318225.1870437443,435278.8810699639,2826993.551976618,2848956.782713471,5371519.523142353,418442.1422275712,4146813.643312969,1493337.776369953,316344.8753142402,691393.2256502145,6788089.820133618,8471293.478324175,3058665.645506772,2555039.889899041,2331342.520118949,226066.5177496354,214836.7578010092,5285938.377611642,205711.8074866877,5435581.731716772,611635.7227408126,291666.5032892732,5773163.731089297,1709045.33173311,715957.4772614972,303247.8004388385,2407980.183517558,532162.763862293,272905.5346336433,948035.462170562,217943.7510922488,305922.2633412574,275231.2717286377,207912.6514628528,217057.0954727164,395292.5761689522,162559.4076626167,353788.0080433972,196287.4221853685,244809.5741142087,363700.8137625251,775651.768342624,588157.0466172837,491067.2238846136,734840.4781767768,710522.666972208,540409.9960591784,693447.2972654524,584897.6991234297,700028.6685338563,685064.7096926835,987763.1334193322,631540.9441716605,662125.9462938036]
["Com_14129_pos","L-Tryptophan","L-Tryptophan; Tryptophan; (S)-alpha-Amino-beta-(3-indolyl)-propionic acid","C11 H12 N2 O2",204.09012,4.834,205.0974,"cpd:C00078","map00260  Glycine, serine and threonine metabolism;map00380  Tryptophan metabolism;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01210  2-Oxocarboxylic acid metabolism;map01230  Biosynthesis of amino acids;map04726  Serotonergic synapse;map04974  Protein digestion and absorption;map04978  Mineral absorption;map05143  African trypanosomiasis","HMDB0000929","--","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",2324922.003565768,1925234.985531502,8957858.226723583,9645152.507069357,2120860.442672833,10124064.79585632,2929863.080738131,1900357.64321877,3964861.224614142,3316013.299825667,7698377.431637906,6602896.214302259,1890394.409768694,2618399.937676899,2464195.482369607,1804493.965961436,9130931.219522268,2282200.972108622,1632055.893494419,1894457.553480319,1741335.550305096,3127278.495768127,2304711.995399344,4244955.779326336,2002656.83968516,4173483.353856874,2257455.037390383,6521916.478179622,1643662.919553569,2560403.520027806,2361960.044231733,2175144.479779029,1918347.469461863,2106549.367528345,5871852.928845665,2171558.253259415,7583398.33480702,2341691.064939062,2216541.080448424,7328453.839583888,6887913.740287562,3174559.88155159,2140719.968570212,5928315.698272095,1799892.846717283,1703479.280420436,2777709.019171613,2055618.42373195,1903375.196870586,1666090.907554716,2510789.902479661,2081180.409647718,1818944.044402415,2076193.135745821,1476147.134329887,2144467.17674519,1894052.590114513,1448310.961521204,1748774.32758202,1632536.241897392,1607936.169427544,1518038.226200752,1899989.945516393,1609851.144579442,1908987.95853365,2417581.798494216,2180096.340086078,1472882.923480758,2053267.518266428,1367457.126196562,1908201.679157855]
["Com_14463_pos","Ciprostene","--","C22 H36 O4",381.28735,7.599,382.29462,"--","--","HMDB0250270","--","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",977281.864473187,5316714.928095572,9318644.336144997,9072037.768899348,137498.2625004659,704650.0970780799,140605.3306557809,114778.6847944071,4103933.423837111,281850.8767080133,1548466.428558927,332133.9626496948,125845.5361437875,192938.3146300177,93570.00901191447,2488521.274975483,304312.5215223121,231735.2464008536,370265.4284286333,107395.7560035855,64129.97464071263,146294.4376502998,57039.41397557696,87922.78688167993,35926.17943895885,412429.3217400912,100275.5531677302,172966.1633011315,93354.65758102242,88910.42115388883,99538.58930378166,82902.43187174835,100583.8355690182,166683.2080077417,425261.8138226808,117325.2204028913,376991.2428877382,54339.99650119945,88009.2503775692,92656.22125204845,585348.0254168196,578098.7114590332,117455.2704234852,249531.3443399769,216300.7846188097,90918.66243762225,197634.5942100296,116149.5701613496,67902.49809294578,93432.61280228908,98266.41935583833,93874.58045567284,115418.1816177424,252756.2254422701,71060.24362148119,115314.5535556593,54156.83910788118,109825.2259541995,435511.449024688,539044.862179444,586433.5966811294,521244.0003834954,513726.574366143,310048.8245788708,465969.1011884534,453009.1354814187,573898.8862469117,676862.3384365942,467491.5165333301,388283.3624559706,475599.19658049]
["Com_14481_pos","LPE 20:1","--","C25 H50 N O7 P",507.33235,10.48,508.33963,"--","--","--","LMGP02050046","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",6500292.28151055,1417022.190502788,1596222.729867837,483906.4069629989,6289079.406629777,51663.58699554041,4107115.561231481,12755550.03948597,2382446.339904603,1413650.167579291,1092814.524793958,931247.468945823,1565256.629109528,876546.9159016669,2795133.293062253,3565677.46911331,349224.0496890774,1385874.60726557,1342364.708380605,586793.2163434682,1027415.29983183,129294.4531552172,2210467.422771391,2402491.929033343,1097182.600681618,13679.75354725931,681042.5628089908,46405.13874512775,1304394.485539847,1066088.094251259,1383427.30997334,652793.1492412069,2050838.062788729,4863077.54908789,271013.5713195185,993054.206921996,137060.9990644455,1712740.628810167,6323930.224539837,354535.8645479949,167735.0194221695,1008333.909288912,7169089.886096295,1683948.099783966,4745173.085032689,3460535.312411314,4665197.18624277,6084047.077057212,3983185.238893868,7646548.205127592,3150109.271009696,1625529.053048945,792796.0632600384,1454172.85627064,8812543.302012844,6235568.755634891,1521361.850742995,6232223.009726404,2063425.48030043,1458008.10743852,1835767.810823983,1712247.669680444,1660550.218094223,1573481.518980033,1366747.934778279,1615550.967185258,1016783.704445321,1259347.556379913,1418866.6972605,1595610.228365983,1220677.933919336]
["Com_14759_pos","N-acetyl-L-ornithine","--","C7 H14 N2 O3",174.10036,5.501,175.10764,"--","--","HMDB0240589","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",1157654.017462861,1153148.842847142,761631.7699012621,1089950.070286665,1040318.028260462,1414645.631897234,760210.0734202606,380505.3617474945,746188.7038190012,690456.715306401,819772.135902175,852927.7861756182,224597.9847355994,324371.9242114336,318216.6959619772,407644.7879449758,1182214.574845887,658853.4902323696,434964.1480899517,762419.9591376825,1446145.225111993,2337526.580407173,211784.5022909066,1730332.456097708,736519.2839649691,825866.118774695,289872.8572758823,1633566.64879163,1453227.017756979,1566414.275442432,822463.7431383743,801897.0135566453,328706.3065022225,312527.9484190659,1041752.180145318,820034.4040980967,2041708.078789769,891397.3185202632,514125.4218266249,6924528.309549651,2222210.417236995,1038161.622014142,813528.762654021,1011781.959429243,398492.6971832288,443342.6872226735,509420.0639095,333757.3076422012,1119593.73866479,445249.3686117626,447631.7154523403,421726.4780514427,236742.5128788468,268142.8602440211,945351.7321759388,271860.2418147374,447111.0058672954,329322.9053754008,1747244.07076951,1736596.462727828,1684904.366247065,1643404.776521367,1955636.463300134,1711910.68177399,1709609.13799524,1442595.042586496,1287386.793647465,1452301.692109114,1510024.021564971,1231108.472274322,1317492.303523808]
["Com_15024_pos","Lysope 18:1","--","C23 H46 N O7 P",479.30295,9.695,502.29218,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",4034386.449875813,1829380.869844124,606760.2989042606,103755.0196608538,4837059.829215612,26611.10115485562,2028923.173378909,7636116.249248157,2551323.251801068,1332348.752131372,721192.0746292087,144190.4206739258,1135108.637743051,4904754.152746616,2402511.990849752,6372614.134404076,42035.33750793512,3458061.750523005,2419791.73201764,730179.3839964996,378448.8515451705,421500.5212628067,639932.3370992158,2345313.245116848,232278.4672926533,54466.87697337294,539765.4431299,41576.17531994545,475512.529981543,882424.2866186061,2074446.406726308,1546755.917853781,3395840.801860464,4092358.751231036,324796.6550784408,1860712.40013524,25961.57596848087,4799055.915804564,9209403.091490246,77887.03311237704,228524.5253526885,2044768.967301595,5566513.584281563,2325895.499670012,5508486.978286983,5974909.688561213,5340842.309183657,10188273.4107718,7932738.554849531,4806242.014805115,4784465.452418719,2653891.556472358,264072.2077364125,2315144.384992116,14193714.21357105,3694617.282000432,2690472.756435633,8646299.572526796,2094451.69267879,637538.411078322,2212457.162423814,2291611.259185277,2157671.074109203,1796875.997745448,2002418.419216602,1970217.338657182,1771159.778839133,1996456.254806135,2204444.187714795,1915712.852831332,1594695.309844494]
["Com_15288_pos","2-(2-methyl-1H-indol-3-yl)acetonitrile","--","C11 H10 N2",170.0845,5.154,171.09178,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},9333914.997411927,585824.9118565992,389824.6525677483,492335.0157065225,632507.9427459197,314160.1957811404,430252.6154885139,5151045.688102454,473995.0123383265,617804.5926952962,346000.4336140867,326914.6807166679,601731.2839137476,643363.5219502321,637688.0635269568,565568.4580446869,377348.991096936,575398.9438134191,414440.7860934274,488163.7751812006,506285.6530347049,461088.3905851744,666606.9320360209,474895.168235932,578851.4723212341,483135.1312187078,576246.46617138,486226.3639585864,465981.5434054291,422040.3947687765,530301.8040831822,522839.6932088389,3505469.735377204,602325.0095210342,472501.4409949101,565734.6580908322,445698.6315406621,650966.9437830874,2675132.177048926,375117.3667922358,791371.8996271294,402035.1876486197,4228151.871745,409960.0930921408,1122759.157874268,662596.7283022731,6189063.388378548,1204259.476391149,500154.1159803269,3766326.264583655,609479.1882071771,835147.1105421633,871071.4328958647,597882.5708924427,1745491.596953827,2001921.364117148,512800.3624839776,4413271.788176607,827408.137112346,431055.6381723439,401949.2969161832,489414.8764286322,638223.6401132743,459897.2299084518,391797.0815774756,375020.4710955068,433076.9319188576,387541.4390316986,453490.9337176853,361293.5751649594,412656.1339111181]
["Com_15346_pos","LPE 17:0","--","C22 H46 N O7 P",467.3008,9.893,468.30783,"--","--","--","LMGP02050030","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",4410986.602474482,892442.2156376297,8000518.897369982,103047.6703486898,4260660.472331425,30215.29235474986,6597826.983713885,6390804.423568188,3541416.400845475,3169042.621772607,1549041.934068402,2711794.029718799,901178.0324368984,663080.2538309573,3143490.171331072,1099392.020442217,374878.8238974596,865265.2928331784,2376618.012236632,3059410.544956694,193892.0194759708,528585.5807536803,1012468.74209442,5529085.67314375,4548411.965568208,88320.3762273753,822250.836786976,26456.27260157804,201663.9854794376,745802.5495239601,376726.963996834,796451.9345699992,2166794.878441908,5334932.606300805,197405.6616643218,475957.1305134432,31392.88635199348,1157651.235582973,6644715.779566469,58088.33738575746,126093.8187658107,1877700.864395384,7492283.95625337,1669692.105781878,4091558.782307915,2060581.939833325,1591341.24341326,2802611.834401678,1722156.917204814,3308971.105222526,1575538.715455372,1816725.491345233,979752.146102572,354248.0256155641,1628735.977795764,2643130.780123679,2449952.513701148,987653.8521734908,1320096.86035666,1279485.252907836,1566281.829241053,1513425.634335742,1523384.238262367,1195771.251346057,892736.0036975822,973711.5412174424,686671.1682186403,1265044.170469468,1231165.490586422,1118975.617580262,1099396.333947936]
["Com_15611_pos","Lysopg 18:1","--","C24 H47 O9 P",510.29732,5.226,511.3046,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","1-acyl-sn-glycero-3-phosphocholines",317529.4124859078,303187.0065007068,281915.7805616252,309988.9461851643,329596.32715402,362455.0049931564,278332.31073744,300791.7724491024,288035.7461606915,5179406.01751959,561827.0169785308,322863.8178122303,347911.7872608648,275144.0093361465,289856.826095167,392150.3630143696,309817.3498764373,343224.5525698218,252261.3338448888,299035.6469702951,521832.5540645488,395902.5836657215,612723.4097310506,391631.8512381578,468017.2077295721,311648.0489595862,459443.1199956275,481875.7626514688,412712.1581817605,361031.6178084765,396465.216990941,273867.9415991736,186874.4506983337,230855.0955040008,482945.774694796,262557.2959535935,350615.3410276488,227270.2157043651,303754.3925096536,436213.1432690722,330347.7249594883,227374.8809271519,278797.3258579219,362576.7305976928,378093.1107886164,268096.0275992351,293496.8425364498,257545.7493047697,277768.6316568709,262903.6910004963,360450.4188800018,233942.5066537592,212496.9492754442,250060.3128005218,280325.1651343182,272115.7428991803,318121.2807382195,263033.6783775729,256675.439811183,249750.5845268896,227235.0145709823,258606.962556903,221834.1826683517,211350.8390764013,220100.5938494127,191031.0298062871,179484.2300553704,180970.5537089496,199450.383346728,207933.477473289,182495.6148235646]
["Com_15902_pos","Bufalin","Bufalin","C24 H34 O4",386.2446,5.614,387.2514,"cpd:C16922","--","HMDB0249428","LMST01130001","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Sterol Lipids [ST]","Sterols [ST01]","Bufanolides and derivatives [ST0113]","No results","Full match","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Bufanolides and derivatives",627670.0803752154,676461.5877149012,398276.5590625375,613562.7351405617,632246.651529427,617777.2044601856,383864.0565793313,463912.3151338914,409075.7784323338,315220.3597262246,448640.0983244198,519782.3946617921,229123.7169133756,336759.3174056721,264316.1143725017,374169.4601369932,475948.7545088472,532772.738677441,397089.7655511009,2787289.940946176,2290897.459024325,4907390.463287549,117180.9757203748,3053158.435615981,750323.7873576451,430774.2101774002,119691.2121203788,4625293.381645523,5344195.900998794,1831354.67074247,936656.593444112,585956.9553279609,321827.6502539144,369785.6203347261,2773865.544190429,450385.4565596779,3761347.392855221,476595.6004233229,404624.8861328222,3734334.305286597,629911.0443949761,666561.6695661222,495396.377347613,852184.5825107124,418958.8269285795,477139.9206698675,493713.5650328197,418482.953600681,527601.1090277684,543448.7326213041,447893.0244579169,422570.1596057752,328226.3861165066,313958.2856070516,735453.2639832147,306781.4001250447,473082.0374679432,775245.8424259695,726947.386861946,751886.3358359624,698080.3686522372,686051.3502567806,683241.0136409976,669999.7097294539,667018.5720739849,647953.8130356808,632678.471317103,569894.7924150642,685184.8508170744,543380.2403577291,531611.3074605903]
["Com_16322_pos","D-Phenylalanine","D-Phenylalanine; D-alpha-Amino-beta-phenylpropionic acid","C9 H11 N O2",165.07883,6.277,166.08606,"cpd:C02265","map00360  Phenylalanine metabolism;map04742  Taste transduction","HMDB0250791","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",1290550.814209973,1784933.345095408,1451560.423658873,1566795.259144323,2025465.442492102,1477205.045107433,1898509.275724621,2095081.209117041,1821163.5392876,1291992.510038506,1011642.189386595,1052388.074884361,1984998.018956198,3068829.532457412,2374827.509409803,2712566.480638594,1389526.456427278,2654682.475743098,2594972.014198521,1502031.019787113,2242111.701728474,1770701.776769647,2882319.307085523,1247301.088424676,1989316.694778445,1542657.514590173,1961331.577950169,1544934.145467406,1292887.985064076,2150546.468199534,1765395.048283791,1492591.113434056,2271353.642793847,2282072.798580125,1252200.675651048,2125265.080000216,1476477.52593797,3290359.242518805,3450801.385889106,1434346.451464743,1391710.72201192,1787452.78531227,1805784.889385142,1611977.779859965,5387443.787372594,4056274.051082546,4764227.192914038,2934717.931047167,2897538.793929054,2030484.219752538,3407119.359000376,2702461.770303301,2015719.42530645,2280955.59979557,3315232.32671565,2271654.783135803,2702880.847013348,3473198.430955804,4091868.02210939,2556473.832544184,1677426.367007957,2088944.845627843,1529767.498718769,1908206.819570349,2140524.883775851,2288448.686480477,2724469.29717426,2311998.482915597,2630360.630817664,2513778.722755755,2497546.418943421]
["Com_16389_pos","4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate","--","C16 H19 N O3",273.13228,4.043,274.13956,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},105757.296785693,256686.5078453742,2409205.38906455,1089202.904643421,163440.2783042637,3857573.78417812,604880.5195273369,119250.5022511407,788708.0694995767,1172374.932337848,2725368.797958434,5267476.627682764,152353.4747960148,88277.28341355703,267385.8582341116,307754.7501818976,4079078.466796699,557306.4206253684,995611.7836599958,1637611.864399965,2182384.669118565,4248768.697359139,411354.2939291549,2053630.002224892,965071.3798654424,2867832.871449525,732352.2866429902,4909585.99930335,2773709.390942262,2595355.804191324,2911041.872614658,850218.8897960216,303773.4698240379,168978.620366855,2189195.977123458,159985.5062535079,2148679.638114471,454213.1178605998,183630.9294897064,3602172.831630482,4942719.758764287,1012474.511170762,200740.5690912528,3996261.862827968,262257.7247145157,115693.1548789375,231460.8261757424,104290.3135084427,128785.3708082625,442528.3331957558,258803.3034024456,120660.9704765916,525673.5935528798,162676.8101396801,153726.6876193545,94222.47055206692,479902.5256932843,174589.6136225386,762740.480211869,713922.9421446281,867839.8258300785,680209.9959018468,842292.391678086,742370.9469969093,608009.8607984977,689781.2203756751,955631.9951735836,1088070.606756145,887166.8563106753,766266.4104303363,777739.9840046101]
["Com_16510_pos","YLH","--","C21 H29 N5 O5",431.21753,4.918,216.61604,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},1782411.861148128,2447696.310617229,1076645.997206664,2315800.887170986,2919864.808325176,1684564.033330637,3110167.616348121,1656273.143937138,3930728.895662991,1521657.691754837,1578747.815234451,1404846.236742262,4293217.104454463,2607784.777211539,5490657.434290079,1179847.921548242,424551.842290784,4590091.695068251,1907899.505099293,3858696.113732362,3347252.95109907,2802770.223155153,2277580.915591506,2781614.050759234,2619978.609482021,663512.2291218365,1847355.589704949,3341577.610008368,2592052.472541597,2641181.574201053,1239336.973111324,1190350.599355064,575551.9254851651,1878099.777852183,1850714.373594536,2664360.958836315,709265.1954244038,809778.1863040968,859032.7868871893,3585631.379851501,2021609.264494784,1008612.715989767,2210902.137112258,1531069.683108828,5910089.314045412,717881.9522256642,1601260.22268208,547695.8440407282,1336573.338398862,827487.0871385221,6405737.676722433,739856.4136624257,1427604.488462076,730777.6307120682,904192.5650889036,1122308.784939888,3424908.024458922,1044223.341168046,1450292.76205283,1769496.532551543,1365762.906698239,1153940.141748883,1145438.923980832,1407792.1203655,1096417.851551535,1945849.705270807,1214781.694910644,656603.6066577358,1657455.848896634,1381118.416949961,1398225.258053216]
["Com_16622_pos","LysoPC 10:0","--","C18 H38 N O7 P",411.23696,5.384,412.24423,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",474639.1928869555,410823.4267641386,1171376.522947557,625573.4716617404,448474.17156061,1438574.96717564,344882.5279274365,381918.1984731573,403407.944044329,675875.7243137753,1180443.206069082,2003201.460359058,390644.672921369,391760.8999262089,339036.1641184138,482402.2308920252,1404419.041753383,391120.5165607124,409286.4322009258,659927.979540781,740907.3734782503,1589930.452473825,379809.3346443945,762014.2959092618,501327.7759791959,1398645.134584361,348161.8709096672,1969634.799924899,1346395.959053777,639371.3552128352,952605.7011231772,399480.3702202866,327326.3294498454,309753.765869215,1068358.067208048,343169.2126667265,1366156.374578539,350059.840653284,405750.9268753051,1243040.458730971,1306489.304992176,483263.9622756378,330204.973813468,1261981.442528636,393335.8925026791,317682.0418122198,463369.6790999525,441580.9755171443,352925.5575108175,330352.8074620924,358205.5488861875,272283.3084807026,407992.2609853509,308983.2387572357,506449.0595922109,337116.9981871088,359599.1085015489,317214.4303097458,636548.178897518,667214.2212445679,582494.3669062823,597663.2732388778,603621.4969832293,577835.3259193887,544977.7574823063,468533.5377981982,464578.3304995021,493110.4099227522,503485.1928952392,509738.0885686997,408633.5225981968]
["Com_17060_pos","2-{[3-(2,3,4,5,6-pentamethylphenyl)prop-2-ynyl]oxy}tetrahydro-2H-pyran","--","C19 H26 O2",286.19292,6.368,287.2002,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","Full match",{"$nulls":4},323666.6761182343,1059646.895395126,3290861.906714302,3292869.247232518,458169.4536403553,2525238.182112074,711086.5653444184,307211.7441943933,1195500.308232125,414024.3136050269,1236580.599214819,1375556.875804471,464792.3001505042,184420.0826580023,194796.5693848844,397624.3613364807,2338510.167311442,237460.9214198457,1327349.468340618,509776.4798364202,1668102.13775356,630020.4940947717,362914.8726991084,2198264.929669304,313392.3347943428,2073509.188925716,205964.6642076432,1540867.125591578,575463.6297407844,648866.7959884721,1085741.210840238,619804.198159758,171859.7038633931,244724.2051940578,2902293.498491218,301745.4345215595,2166651.065169709,530338.5459631745,244843.9491857797,4560835.899539539,1545731.588562537,2060842.044966223,441422.9600131531,3199970.915142694,2360739.06115092,264061.3575085037,525905.7319037978,208441.0546700026,288338.210088162,426855.9296187328,196308.3087437821,201374.9019181273,732155.2015382621,179059.0365481106,246868.5416492984,231558.7926790313,177954.1526341223,740481.9183279593,798997.754243481,736147.9940288977,667323.7417098952,479504.7246622708,307375.768179428,488536.3170440414,630680.2953964085,461922.6474578784,537721.0413916863,750364.5665405835,617791.6617917032,894307.0315126455,658327.5700694888]
["Com_17121_pos","9-benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-one","--","C19 H17 N O",275.13672,4.055,276.14407,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},117047.5626414908,125170.1449035012,655373.2934956268,311132.7632205503,84142.20411725169,614722.4380916717,220295.729222241,165225.1043910478,355042.8219449887,189897.5327495654,465714.7261921122,778305.3730134282,63176.27004930734,72398.74845388289,67007.3780230742,111342.4625795235,560443.1963741018,205931.5788707157,222156.5048245584,1035616.285928728,1005578.226835653,3362530.396847402,304499.1283690134,1477829.074068418,833908.5425710926,424140.460945504,299083.3329992908,3234337.056006229,1482974.290255291,1433072.603357932,1664723.454271757,610372.9946668396,194255.5552943382,112345.8512443385,1993774.685647289,182568.0782010494,1481718.886849458,243510.1017872364,179281.0225143324,2834574.194328639,636011.625060005,290707.6992503749,101379.3379200451,525886.1823218977,216729.4504871365,90990.49137580856,122129.2785075476,146442.919394618,105620.6002852092,146297.4936367734,93230.26019143387,74955.21561017126,163330.8014328561,70153.48721949839,191137.1259583116,74333.90045449902,159402.3264950587,139560.5086205684,1064775.51123703,897142.860662879,907294.6024304804,1022493.240415947,1318994.32007679,815566.3693535504,432973.2516574675,1055174.916126704,782236.91078058,699117.005537889,999579.4629712284,520080.1257336773,681052.3941494041]
["Com_17454_pos","ACar 20:0","--","C27 H54 N O4",455.39696,8.403,456.40424,"--","--","--","--","--","--","--","--","--","--","No results","Invalid mass","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",2683084.038178493,1785225.027081769,1021391.698975421,110622.263321615,5339606.34822941,50578.65853363459,3999513.393904175,7364214.552733466,2604354.22763444,413567.333051729,569431.6162047508,382004.7096784157,366540.2300745793,2421290.996166365,2343874.164435627,2857235.261789684,429041.6202110803,1584363.754408416,1447914.260423503,863730.5078573925,681068.0850612905,349897.633001517,1474123.752736534,1473125.361055132,1011094.28930062,131887.6499749339,902496.348851399,56497.926198999,658947.4043561969,1696391.809368523,427432.6660054257,3402599.533071812,711185.4318638956,2628466.317796292,883799.4876474269,1022322.288096388,150769.6020220333,2176828.690607404,3038922.039592298,96446.98322012353,51051.86492758274,917937.6360681432,2214841.567401737,598825.4373073557,2641113.510804013,2276738.530544447,2714484.601719963,1849253.272661256,3544584.147992013,2002121.789848058,3111729.22019512,274527.4749986052,592380.2583498989,1436579.702062943,2454476.870078588,4016377.69875928,2200234.325088196,1675736.267717733,822373.516386608,697319.931426197,441733.7852560782,747969.0675656762,719984.9059404418,945548.1814530924,943482.494475309,647520.5334613527,768854.3018234809,732050.6218526103,684618.3239288294,627004.8846297441,752235.1885405116]
["Com_18603_pos","Orsellinic acid","--","C8 H8 O4",168.0399,5.227,169.04718,"--","--","--","LMPK13010001","--","--","--","Polyketides [PK]","Aromatic polyketides [PK13]","Monocyclic aromatic polyketides [PK1301]","No results","Invalid mass","No results",{"$nulls":4},282713.643048282,266263.5661892327,251004.8966217088,242572.3857655025,266127.7418554603,276283.5966153572,247814.3392468257,267811.2151006155,256453.8336392168,372553.1378197466,254520.0452835446,287463.1531849769,309764.7177498029,244975.6217332613,258075.2397903104,324156.4794351117,275847.1757857053,253523.6233146776,224601.9357172861,266247.641421325,380893.5189028523,352493.5244395064,373243.2087489162,348691.0599256569,416701.0821789112,277477.14638613,409067.107234349,429040.1046294005,367459.9995522078,273984.4038849964,352994.4673783915,243839.4694761467,166384.4502969228,205542.8017053117,429992.794336179,233768.9887271168,312171.8381755942,202350.988952879,227838.6399354799,388384.2001081229,288568.1131413186,202444.1780725984,233970.6099705539,322821.7115047846,257975.990635016,238700.4216584692,261316.1436826898,229306.9371669072,245998.0911833618,234077.403008733,320928.5409563979,208291.6911606306,189197.5492789132,222642.247406816,249588.68551036,215016.2548222525,204429.9414433866,234193.1378146401,228532.053462166,199663.0366075347,190600.1116735484,214606.1025251809,197510.9941589778,188177.1052602959,195967.4860892431,162733.1291105151,159804.5363779382,161127.8908715041,177581.4846312306,185134.4430361403,148065.1030965812]
["Com_23668_pos","Flavin Adenine Dinucleotide","FAD; Flavin adenine dinucleotide","C27 H33 N9 O15 P2",785.15801,5.861,786.16528,"cpd:C00016","map00740  Riboflavin metabolism;map01100  Metabolic pathways;map04977  Vitamin digestion and absorption","HMDB0252293","--","Nucleosides, nucleotides, and analogues","Flavin nucleotides","-","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Flavin nucleotides","Not available","Flavin nucleotides",34077.45995342391,45124.06762030789,43556.53914175602,41418.92161544931,27164.41457768857,50755.21059715233,33934.29060804442,25951.49096890306,25344.88366862021,34365.19629724875,41067.54181027898,37398.91246553063,28356.96399440517,19243.55757532418,17539.91964953403,25724.08439329542,43885.37564504091,26606.44568699895,33328.28184817896,21261.20610894306,28631.56527772504,20359.7230966774,17249.87019245998,27615.32875758894,11734.66360880514,26890.82327497453,19938.64761874972,28186.30877555586,22014.11526105829,19240.12485712191,26894.25939181382,33423.22357576436,31670.97793381018,23629.27134297202,33535.83102563326,23191.62454372923,26282.3501346064,20799.1340592061,20612.621163693,23781.91357731535,58172.49016156625,36751.67264356877,37995.18757974859,44707.38200625597,31839.82654731258,26439.16707561748,45100.37862539174,22614.36156419131,30335.87709440304,23958.76536644791,25485.23834399002,43450.00930068258,27483.30229116217,16899.89986726733,41730.50030725747,20952.96216976897,27443.83430710222,30771.88238709961,48676.2595731645,42177.76296758577,33698.51261994459,28872.32956525808,39340.3607139341,40780.5494493337,40556.00960541797,33141.51220286103,31917.62813903152,27160.73331701461,32686.09690678234,26490.0018807814,28421.35102118363]
["Com_8_pos","isoleucine","Isoleucine","C6 H13 N O2",131.09455,2.909,132.10182,"cpd:C16434","--","HMDB0033923","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",8385325577.922525,9975213734.922886,4704373937.222955,10594490287.46564,9719196814.937689,2453047695.56067,6910345153.826822,6709757837.2373,7984032306.136693,6288492352.294283,4381641830.738776,7387148423.941516,10007679148.48908,13720514795.31413,12407510283.30446,9235201462.81672,5788150897.123514,13246789504.81615,10514572184.4975,10695271953.63573,18718080318.14807,14934904656.64172,14042184116.52928,10797362362.22582,15909095885.85061,12406615074.82739,16596659115.57329,11513405472.6261,13582390724.69003,12682309418.96149,9855734792.526302,13010363163.0223,15813835918.39525,9836300543.89223,9421711875.237335,9985430775.822962,15114686869.61549,12774232426.09338,9139885553.908234,15413396090.70383,6909881864.032149,7546040675.505164,10433245452.65832,7383070596.82118,8143353720.081836,8621522734.525251,5610777394.84163,9877415452.151432,7067969569.379219,9238343019.84042,11090599723.4605,10279753264.99562,13121633864.07301,9078815975.858232,7377044211.722921,11899733233.55464,8571436552.749574,7572573659.684554,8101371923.08813,10733979918.67256,8850111447.744404,8097097280.912847,10261825173.48562,6486983837.56418,11012737933.6333,8367425306.557593,11106753490.5586,12482021220.15108,7689331015.425516,7812267201.527536,10740049107.77756]
["Com_189_pos","D-Proline","D-Proline","C5 H9 N O2",115.06323,1.59,116.07051,"cpd:C00763","map00330  Arginine and proline metabolism;map01100  Metabolic pathways","HMDB0003411","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",275397701.9550163,340075258.0827914,154884511.0006728,306543492.6692468,260537624.5926755,87066053.62186357,252866839.967204,216055215.1990971,273804178.4678737,199795010.2853081,255539585.9294115,235490165.595145,292606066.9555488,576360708.7572652,460805315.5637668,255540834.3474665,215154695.4418769,375547754.5678606,415940178.7370299,495887845.4756226,371037247.9933469,424643498.983605,764420501.1384808,667783098.1540203,589027858.051611,288238048.2250249,753029337.9296366,500646228.0446404,788170181.2017055,915804848.5640224,301830545.8516195,386427181.0065493,387568770.4218265,395020285.6122614,765445767.1927129,422672642.4576632,908594445.6705756,441021225.925118,388699215.9304408,1730720195.251388,180354852.9974298,352433005.737704,255395618.3852139,249710874.6159617,231315134.5715662,295494223.4346197,200232125.8492709,316167395.9355266,268350360.9982311,322411282.3614957,362096009.1202205,369752470.1859399,443006467.6854807,387349493.1702277,331033960.6367739,347805253.3577181,405797375.1780006,258671602.22199,357775129.450554,333623283.1397017,319109829.2619554,309913300.2993505,175870382.562937,349473708.6109067,321562065.3569283,294130513.326855,318011006.6785468,306206700.7842228,355651055.6034126,308005702.5684024,350832193.090581]
["Com_450_pos","D-Erythrose 4-phosphate","D-Erythrose 4-phosphate","C4 H9 O7 P",200.0085,1.723,201.01578,"cpd:C00279","map00030  Pentose phosphate pathway;map00400  Phenylalanine, tyrosine and tryptophan biosynthesis;map00750  Vitamin B6 metabolism;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids","HMDB0001321","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","No results","No results","Full match",{"$nulls":4},545527640.170719,58763845.12075572,2933306.224260563,2201365.692367831,83861641.59593931,2411960.688602777,33672019.73993706,1086072204.171649,7462669.898119715,3140446.473334558,2537162.081938788,2008727.329885263,55664783.81565849,44364620.69877049,67248298.72753498,13426094.45697914,4756348.049346783,10324008.30728668,33199878.52605296,2033456.791537969,2186529.233839567,1949868.981821447,2106121.575573323,2052692.22378817,1692989.112742371,8002820.501576629,5288237.90631571,1786782.535349808,2588599.518075096,1999620.358722446,2067421.620754551,2692060.791206921,17256156.18208921,17173831.50678933,1890829.162080446,24915337.34715703,2263915.056838216,4188944.306331476,104351326.7769988,1781747.18863501,2215089.515872627,7363757.136098754,152806783.6115825,6124385.524726074,51281873.05853216,155287954.9002297,94619076.39265618,164315805.8918056,156532982.9143539,200123570.5386776,111012102.9816784,96288802.8697929,60937157.42547258,160092884.5431517,806257510.1491964,33413667.56843747,72442523.69642453,896428009.0044533,18010598.3319349,18345425.31583551,20914190.23631097,16961403.1846966,15124844.19727872,16048100.25495014,12952092.52738011,12646085.68328922,11123817.86799236,10113994.52616102,9209189.67748622,8564492.024081785,7596994.943069682]
["Com_491_pos","D-(+)-Glucose","--","C6 H12 O6",197.08982,1.345,198.097,"--","--","--","--","--","--","--","--","--","--","Invalid mass","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",46581572.09415124,94776118.25989407,100683220.5847494,77084130.80937046,86123484.99817899,102886313.3019182,68642064.93108037,46410400.28703225,51953332.30359732,63312136.39125662,65536144.21983881,148980154.6489908,12982277.25377438,27317767.35907946,25951328.54207863,140397699.6132163,125246591.5412039,107503637.5096849,83266614.26921938,49177721.31678968,65268247.90937605,112643238.2689736,14054678.91531539,72360048.78401633,16578224.09735529,121888463.386904,11573818.92094939,129831717.7501056,52902307.28289576,44406826.23411373,38353367.90347059,75112209.3880955,54787127.2495002,42962868.62989577,63753978.2937049,41240740.99495312,66677674.45790648,57746542.14432308,48504352.36262414,47015978.74027784,135453315.9985565,59314441.0154699,43314357.49270432,99565406.15761808,85460547.78661953,63029172.84887482,73753739.50184761,35114308.75062251,57365525.68717508,61928129.19614027,52592587.68127682,28030972.43547112,41180458.63388649,34669228.48057991,78991595.32021292,34606815.52461955,60228427.77464172,83067276.07698338,95712224.5467838,105417906.8428752,114359281.8094105,121297111.3318961,111267868.2878154,129694066.3543506,130761590.9552632,111104173.4927113,109582955.1923237,114211240.2465752,117076361.4547912,164290345.9987731,104017993.499391]
["Com_538_pos","Cytidine 5'-Monophosphate-N-Acetylneuraminic Acid","--","C20 H31 N4 O16 P",614.1491,2.18,308.08182,"--","--","HMDB0001176","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine nucleotide sugars","Pyrimidine nucleotide sugars",122865921.8659026,14295308.76724026,1434198.299925242,5958156.464336401,90014190.12583199,392066.0790438594,11237583.24491407,175145262.6649677,5955441.804923393,3733278.123704791,296007.2644583952,368284.03899224,8048200.243145412,18019754.5218207,38780262.26032659,33855045.4363914,1046759.393752326,14505971.08197083,3964313.259727951,1505514.037905342,4172346.920735242,905643.6700083746,12478826.97843662,1131031.775664315,1287594.585255245,844925.7742789196,26659269.7844672,541018.1199238166,768230.856611118,4577702.836791283,1928975.194470827,1364652.17415797,45012092.78890111,18176228.94178455,4532088.584744587,24418061.62932637,1031629.204722167,11118421.73681295,43056977.01758602,691046.1954426037,421850.8329387916,1405277.656695468,105829675.9487523,2912179.795811025,54319294.90577075,124737073.1264654,134845754.4288725,97655559.07705028,76448038.52638428,48729182.03449123,51554383.31991798,98522842.65709592,10848313.23943673,103805521.2016556,79881006.62585038,55398923.24957271,52186790.4245748,68133033.78290114,202770969.507802,225188076.8321622,299227892.4838589,240124749.1866324,265512450.7531556,567540625.8347609,371564073.2917904,287145584.4725758,284014269.5100834,290336424.1533151,292150947.3603224,277206891.4947411,249211078.603663]
["Com_611_pos","3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","--","C15 H24 O4",268.16699,6.927,269.17419,"--","--","--","--","--","--","--","--","--","--","Full match","No results","No results",{"$nulls":4},30087289.89023243,23947528.0287764,26357656.10175148,11337671.68232722,79777430.69984555,45616331.07347168,146276570.2802425,23769212.71361192,27885060.83863003,135576806.9832919,26563625.31327016,145928825.6423141,301085227.201427,7807357.828157936,24608260.54250547,9575621.726158204,46095833.22482487,28489274.5299016,74441272.68946551,97972001.5596507,15177884.16627877,21584115.4959939,27035969.07207496,63299368.5478571,48802259.89330053,182380267.0272704,64921520.0965573,73836215.48074575,97471009.61592644,19527436.58599181,57741775.02326319,33339435.52439995,62978009.22460198,72363376.5611506,83710256.06111385,30581619.34294136,39834733.64656275,51408115.0057149,46188151.53270471,24908226.47025464,60775900.05838658,66595997.78805844,201381765.8579982,64501869.98915955,39765367.08758458,11688989.53517216,171976772.468914,13555816.6204777,7265146.327484272,77343968.86578214,19024936.543846,77846030.27675152,425003706.3372661,8692710.901222778,15320079.50194438,63435328.52775496,49351658.19636266,8794918.416900618,63178930.2999532,61130288.86030686,58544116.36659066,65118172.60012564,60789570.55955304,46689002.80905438,69286231.68168126,68421647.253908,67141142.00828035,50217390.06430314,81789387.82979256,61495071.18416174,70259769.59738609]
["Com_719_pos","D-Ala-D-Ala","D-Alanyl-D-alanine; D-Ala-D-Ala","C6 H12 N2 O3",160.08473,1.399,161.09198,"cpd:C00993","map01100  Metabolic pathways","HMDB0244385","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",49412300.89655362,96524884.79211944,113363515.5157284,90565057.04278478,42853057.93650384,71543781.59256433,53103536.39632584,63721923.7573814,45976354.98797122,307516413.7637442,133044692.1448857,84346256.0111837,62966076.78913128,29537734.47621326,26769930.48154378,78727685.71725003,120064598.4090401,92200515.57645176,70002679.13571574,28309699.6118628,50753213.05887024,28472829.11590014,22339620.64187176,30389049.11284695,26648449.80114708,89119819.43983714,20868043.8507964,75591597.37334752,34557536.63854318,23442208.62655257,19851029.62976871,29126263.16543889,27676495.38630556,27013947.96699665,35761665.27340823,40218706.11886968,49774103.6680411,25508220.53945477,34764581.84863196,64189418.6018995,70228501.17584063,35682663.86675198,31713741.59250828,70047558.82389307,153363656.8348989,36403293.25428712,45294061.11436179,44036662.45220148,39176454.17148877,52305418.10458609,59605907.97730569,23427208.4950004,43175264.72707964,15601457.94578714,46122046.31266107,33673142.69943609,49053697.57701785,64040922.88439193,44287010.936483,47576385.08368821,61427322.35675304,46254690.60166118,65812813.45665545,66913818.77178988,45205004.99460968,55674183.47169299,56740372.01286598,59699019.87042341,43815362.09464807,51449883.60474479,46180587.49481668]
["Com_844_pos","L-Cysteine-glutathione gisulfide","--","C13 H22 N4 O8 S2",426.08755,1.387,427.09503,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},74452860.76564339,86260908.0111617,31576337.27504209,39369628.75260085,145455772.8838067,2727259.31915239,80017327.13720955,66554142.56636243,81802513.38171095,23578584.4271624,3213265.624448983,2976312.923354884,86071266.13230453,220892597.4095553,219283253.7761074,126814427.1926526,9274750.750558011,99482727.75817925,29582794.6162579,20164981.99843608,25880224.57808663,5604984.060600833,187722410.1125601,9546071.469575116,19540805.67210288,4142517.134076769,162924199.2630574,6199560.680873775,5228414.02169959,30966986.48962892,11427286.25208385,61501524.50382057,134075459.7151068,157085826.2505922,18849536.58399165,124546670.4872432,4358424.599398418,124838154.6443859,85989777.5484098,5017642.589577649,2863204.692184899,15838840.00044874,69409150.44286267,32049742.56311764,93731948.15713368,202951426.4330239,65260107.6186661,141303379.3965347,197801695.0645789,135744755.9209469,167224721.8643308,209012792.6257248,39387251.79134173,135990472.1272499,191672316.3218436,103746562.0974288,222635872.2032614,34951319.52223366,192595297.944693,204035026.7215598,193929383.7206473,194508607.5898942,206395873.8120935,204051405.8436217,199576041.6379397,185553812.763256,193492883.8746513,198577748.3599978,205049478.6750297,193527754.0058736,199555908.6135622]
["Com_921_pos","LPE 20:4","--","C25 H44 N O7 P",501.28448,8.892,502.2915,"--","--","--","LMGP02050067","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",85996554.57910366,12553163.45442563,24706733.27281932,3154241.600052819,31904831.27817859,359262.4792874115,72533495.92700836,144430293.1641298,17328623.13587714,18842999.62049619,2137590.743936816,2812720.757484454,54690584.63151511,27708989.37876202,38616642.73606964,35881485.85583604,1001115.761332375,19013386.17330677,27966165.49187995,35175463.70512061,26734648.45119634,22061215.5506491,3933382.892296896,33546260.4911843,2856787.887628448,3790795.786929494,5096850.48685902,7707485.626934288,11752890.28970123,18836800.66181888,27687513.37176984,22644886.59712297,53967171.13586807,49851867.0783807,24809587.88304027,22752933.16884828,10625420.74112938,17003737.14233922,60040606.81101086,6789859.700901951,5990518.818029989,5373918.231675134,29096751.84226474,20938437.06494833,52515234.31256702,25939998.86649331,147345638.5106231,82783508.20380616,59693593.91076645,55077300.81001594,27892568.49565577,37865841.85427894,28780819.99709503,29848416.74342405,74795213.6434869,49807109.14842469,32266040.11470966,189600525.1280833,144493159.0494,117401590.6850411,127386638.9792245,115841297.4314143,121419823.4084374,95431742.06273134,74184288.0847988,104427575.5155763,99162142.36233798,96081127.38006511,71760582.2172954,82458214.40369046,84159865.40953529]
["Com_955_pos","Boc-beta-cyano-L-alanine","--","C9 H14 N2 O4",214.09534,4.87,215.10262,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",5979925.986198978,11465904.05490492,114017999.5819591,37247150.25206842,12592598.54469238,152831855.8464295,40966937.63015871,4887905.072224614,52591714.74781694,44530198.32190491,115499983.6882236,240042968.267093,4862278.664748043,6734779.835865995,6338150.947642882,9770319.105335956,188174395.6456945,28081719.73332441,70099604.67757797,73835344.32211134,89567050.78308295,218968647.6914388,11982317.34401913,106349672.9897212,41239863.90411145,182023435.9900832,20233257.67432456,252492141.9233867,90200824.23232254,109201924.9443144,95018400.11189884,52056180.70897948,17766200.83224934,9450534.988823008,88189118.09132981,12882778.86728915,81903454.49240524,23642110.01143591,13685137.51701814,146307577.2478955,241037491.9448279,97675008.1172087,12450835.2684548,94166288.48101278,13583764.55084306,4381514.73482305,11224471.93418717,5654082.568660094,12077105.78119738,36695256.78009789,16905940.8783103,6309553.080737352,21670039.55951418,5340171.096394882,5781944.232589064,6806133.108553568,28395345.51207543,3844385.889236046,42729479.8667076,45004556.04788251,43961904.37723086,42981619.23152158,44530247.31328028,45742232.82832828,41824825.32985723,43191328.90524304,47826841.6927854,42655669.44822405,47916589.12398157,43740920.21672847,44667740.33591956]
["Com_974_pos","13-Hpotre(R)","--","C18 H30 O4",310.21381,7.682,311.22113,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},45535911.76533573,24652981.99137523,17028739.5105717,4085205.693053357,28521767.95941048,18408880.14926357,349887725.0582678,58252399.8868007,13917721.01540739,123910258.9675584,3867757.33987692,201419971.3213165,177047429.654203,10149885.31897241,72230487.36511609,3414247.616184291,19745862.3970503,6222428.972963985,16736306.36190251,43354990.22403093,7714147.620523524,6175057.888911861,13476158.71669256,81760615.31901382,13471539.28456332,8668363.225087816,109859754.1768763,4984742.281012611,39423621.02321568,3633791.616499989,20565975.79676476,23896274.76920899,79849952.39686914,179352735.3247644,18696921.62763355,45529067.17062194,4791013.561631159,1981318.729274488,14892092.54551782,2317678.180528783,28021242.50680237,81300215.07238525,158663637.1573897,48203057.38476375,14391579.87465894,34955989.78737617,100306680.0957639,21271920.81265229,13427221.65353756,86174667.46744648,9017274.973905776,57255025.58258992,144638031.651993,2654672.939854651,4918165.550325341,52802259.51933298,45994253.9681016,9315045.797660176,18089873.0466581,20351478.62299359,21953035.15528381,17317005.13798639,13352299.20332029,16855223.76772194,17057730.75918273,15702193.50015819,18967327.79902684,18695560.41435286,16839717.78450675,19304442.59683037,18075568.35461889]
["Com_1012_pos","5-Hydroxytryptophan","5-Hydroxytryptophan; 5-HTP","C11 H12 N2 O3",220.0849,4.931,221.09218,"cpd:C01017","--","HMDB0000472","--","Organoheterocyclic compounds","Indoles and derivatives","Tryptamines and derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Tryptamines and derivatives","Serotonins",12586393.97414736,9701481.047587112,7421246.322334895,12659324.74970657,11361773.36405105,8040753.542878736,32281161.65504926,8173642.099982647,9292037.123845022,65649225.1119648,6601367.117322432,17469305.18473377,198953658.3829698,18359943.93241233,23564584.93990991,5356969.23384801,12118474.05880096,9714229.08789271,12992086.15428148,13763029.37470504,23273181.2628862,29154382.25293186,33917484.64438763,22012005.41269296,14609003.35698276,19392315.57046812,57874178.81551223,27917107.63658297,16416485.55110901,12193391.13158535,16961086.40861864,14108131.66496197,30191290.2584796,133187409.7247616,23876637.30326799,25887805.15033534,25477250.58538544,12121489.46859988,15674145.48678612,18819398.78586965,13779803.63744449,18087241.47722397,49729128.40015803,10850026.43635378,12875265.49388283,13437699.48620256,23111248.87334732,24332787.32813187,14578942.57038446,14260371.81100193,11874727.05336195,57090517.83353129,66866863.36344289,21351441.43779174,11172641.41259437,31872068.335619,11787429.56701047,1609869.791960904,19048856.2160284,19645256.55954308,19174167.89463167,20887132.95543261,20670148.33989187,21214162.78088092,18390301.77863192,21723344.10110605,20347639.13203571,20388719.5123174,20652545.40073044,21697334.28932608,22827842.6619965]
["Com_1046_pos","Lipoic acid","Lipoate; Lipoic acid; Thioctic acid; dl-alpha-Lipoic acid; DL-Thioctic acid","C8 H14 O2 S2",206.04326,1.215,207.05063,"cpd:C00725","--","HMDB0251530","LMFA01130001","Organoheterocyclic compounds","Dithiolanes","Lipoic acids and derivatives","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Thia fatty acids [FA0113]","No results","No results","Full match","Organoheterocyclic compounds","Dithiolanes","Lipoic acids and derivatives","Lipoic acids and derivatives",52821633.71622794,101454880.9042292,27261128.37347562,51298289.90152189,81140420.2459441,8223750.603614063,67242167.57591848,52909831.88657396,64510392.14974552,33228930.51569541,22037190.17295959,36210278.05836724,97583991.21727644,81627620.47770388,107571942.7794857,81266998.23025633,36783010.85712472,110426887.074205,72342593.02395694,72554923.49778122,46482650.15630583,33053658.04279726,161474010.1711463,74896332.173102,126064372.5058996,32171919.49375216,150796372.1976271,14075246.59709152,32884713.32824805,64990151.82811277,51667922.57543953,66116615.0444912,110408468.6631274,132282711.7834344,15376056.09205673,90931730.39808182,25246170.54116516,106545858.679688,86927159.36808544,14950390.43453371,32964159.46271816,76731203.26920156,68432940.70446213,59769371.82795943,72324007.43195745,89020011.62414105,48865044.97884221,75939002.07643828,77667433.26667188,95621275.86447296,85846909.16482867,91105970.74356894,99107568.14341664,66802812.93079934,111347646.8909243,104638648.3367645,77068467.66515483,53121719.68349209,70857218.6019268,76870412.66303073,77429427.73353165,81371916.68671235,74010257.50105274,62861517.34115255,83767033.47678825,80143112.61135359,66924898.49433556,76605408.32087262,81720831.6811686,75058328.24110977,79483025.59818791]
["Com_1112_pos","Dibutyl sebacate","--","C18 H34 O4",314.2452,6.32,315.25244,"--","--","HMDB0041220","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty acid esters",1220191.329938868,16387757.49059329,41767672.21016028,44355697.6286204,15609406.07965692,45584095.02611622,7540694.60966834,647831.739938003,55209813.50213884,85712104.25186038,62170626.32965294,35500503.33226508,205764.6701424624,492359.8495138823,190504.9497048313,20444168.74259747,26294002.37559596,2940933.022113731,18487029.59686752,8418242.277420554,1956106.408290182,1620523.152391453,634950.270463766,6031936.731514999,6815795.523923554,52068974.47320324,241583.8229963807,3090360.369726209,4240616.380018331,3903785.814530263,1756572.766977366,737406.2249495732,206494.4460978045,225936.4817533648,4986095.441535497,417705.4382529305,1456757.589409349,1398275.261359282,340922.6385620701,4762123.962748221,243863091.5897081,10593291.46863726,2864076.177168846,16458168.27438386,33813522.33143681,813006.6234192752,22978651.80718595,859552.6012107596,5277757.964753755,14431015.39865252,3054415.30004736,1010815.928417185,1814260.36054188,512935.2841023805,1045305.894867812,1459685.225518645,2600580.932788929,573876.8516641927,11614512.3343188,15862294.74871172,13022551.75822942,13971834.34759727,15939855.45323447,13338183.02104171,13020577.56906013,20046752.89808427,10367349.59703902,14753842.17137047,17030460.60506483,12185635.07933798,14116801.26995459]
["Com_1126_pos","LPE 18:1","--","C23 H46 N O7 P",479.30047,9.682,480.30765,"--","--","--","LMGP02050064","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",131605385.1101924,24652609.11355267,85572254.4195745,1299552.835308154,125426875.2702883,532023.0363568431,126145444.0420699,363273107.4933571,45662406.44974759,45047777.65719981,19840011.48903425,15149587.52986818,41777235.37005085,42277549.22083984,59731718.2376373,93068736.83855554,1813177.133518441,34573629.4755016,27795979.5798544,44898069.58224912,5257993.56332262,8479876.344446022,11830018.64587154,72656032.37696601,26274700.5634509,1985149.002670568,10875856.8837886,905949.8047244208,9708036.486420834,16848795.55147823,21145739.05949924,27938705.56488456,62481116.200184,151188786.2994627,5796812.403483409,28956558.6577806,398176.837834757,53842295.07847797,120509220.7941644,1983969.844773488,3029731.251851547,20685739.55690508,145550171.6970361,35220799.89348412,175449675.4625323,84512275.09415635,128365944.2326914,168855931.7090297,99576064.19825302,160664109.3295339,71888317.84969236,53998220.9728734,24241101.75611205,22164869.79945747,193938700.556978,78264808.58485961,46299352.37431606,134444807.563101,39056653.1426801,41287441.72970171,45195322.03021001,47319896.15573347,36526469.81991693,33328322.8285927,32677391.42322668,32615628.62980461,28732806.42472754,27628871.87215088,35980098.29692511,30836141.09356946,30783063.65330783]
["Com_1127_pos","N6-Succinyl Adenosine","--","C14 H17 N5 O8",383.10779,4.99,384.11469,"--","--","HMDB0255303","--","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",152041506.2671643,56372772.79123966,39753314.78576358,44624257.86996775,149007716.1348006,11644670.6550686,73607007.84327781,133760191.513954,72548318.74707614,32802858.85924522,10383619.47192461,3741646.792472599,47664689.25701851,122301245.7471475,107727834.7980781,135586629.09611,14044739.1908079,70481696.35220112,50618544.93767937,43156549.46063273,31177227.86608255,8240191.454888167,95710439.05862412,25283042.95056453,28351553.21279938,8841279.809080629,63009003.25795173,22258445.35925424,15241316.19504052,50316305.15829958,43981200.60061227,51855725.41851395,201838024.5548275,141938719.736488,69457990.11877859,85962872.87821636,13046809.76916505,103434855.825197,84979933.54762861,24391241.05627166,5166806.098298209,26797167.65155508,90703211.98070651,31856214.40550072,128051077.241224,87393942.65451902,258303242.6187125,159642350.4789312,108993407.9504721,138456392.164888,115099879.6882702,227452209.2881333,57203326.33051624,72308366.53064995,55860057.86284362,115540011.5619661,190261980.7490123,161212142.6488469,79239121.7755781,80781439.36942838,79285501.81962025,79683741.86589575,74518072.98571435,81944779.0899837,76530943.40163945,74994460.58794723,79072200.98206148,74555597.18229298,80485637.37782913,75603613.18005629,80141843.56814286]
["Com_1187_pos","LPC 22:6","--","C30 H50 N O7 P",567.33137,8.84,568.33844,"--","--","--","LMGP01050056","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",38101814.12536467,6190121.683822867,4957489.318964426,6218367.474773101,7697064.281737063,951933.1284212348,30715527.52720221,43845853.87167536,14360240.71617312,38139650.33523748,5303937.176716338,6545562.344990606,51640906.4885484,16595332.28993873,34014892.03815322,9894745.241047528,13718439.10892527,18723928.79708243,18869065.5086765,30668052.23238584,33039927.16977533,23023999.50815975,4289711.563988849,17206926.10929291,1871718.666598174,24830540.7344908,3676995.028187432,7582743.243933799,5066287.371397266,6297345.366335821,22364595.19131516,14115893.35933488,14248375.21803699,15357683.65812934,11747121.72101427,6697804.226253472,42707508.22464818,13427359.64853862,35092929.80597483,8876441.998440936,41329337.00691373,21397580.26126079,17791181.02242621,35111133.9376836,15906383.9744475,11284458.10886239,21416169.85402955,19482580.55212376,21302651.64509602,24841551.04978244,13333274.19728837,15279471.58021706,23768000.32491281,11697895.07169076,23241700.4896196,30221302.89355204,10720045.27129721,55218635.34571341,118349005.337191,92854107.39000425,84436686.2895684,102603908.2854478,73261725.31841837,69473633.15998836,73972249.24112822,73451393.51854755,67231430.52958922,87933386.41961317,69719048.86608706,70386239.2009341,61354397.70299888]
["Com_1288_pos","12-Oxo phytodienoic acid","--","C18 H28 O3",292.20317,7.647,293.21057,"--","--","--","--","--","--","--","--","--","--","Full match","Partial match","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",36498232.48254337,21321148.373834,24693937.85194834,5666533.123660373,37176859.64484742,17932719.34580456,240769177.1000381,72052380.68996336,16077478.27794174,93381293.09228726,17215768.45531278,133723778.1363979,153839706.6175069,11092973.01102356,78238023.57257652,9211021.529765554,30873636.16497269,10229876.96495348,21525433.29469147,38158743.32976914,7643894.139460311,8718031.004072716,15840215.63621344,60052700.74881267,23819665.29477424,12928078.93415337,122238529.9745666,7330548.515327387,34799439.39569731,6295157.250941443,17142100.35206856,18803632.90287894,75143609.5736062,94200566.12818354,11797194.69121067,42279151.12605438,3781975.183430249,4194342.715964985,21095226.1216076,3652887.833439004,28208927.90779564,49993601.384534,165481737.3154978,40242068.24886523,12663198.52662272,37725877.30262977,75433612.5419193,26947222.49209002,21850221.36486453,62423129.66071577,10730201.16723438,67056639.76352944,107275688.157468,6086598.970899458,5254034.523918306,55857214.98592753,56565984.37605228,11684058.61064619,23299682.5086112,26344135.88274791,27999990.203446,21413225.28536522,17643505.11221335,21888309.50703066,21573599.40743257,18782496.52486617,22173542.04083116,22015804.56095745,21526785.15821256,22586664.93700486,20831609.83799069]
["Com_1315_pos","S-(Methyl)Glutathione","--","C11 H19 N3 O6 S",321.09921,2.682,322.10669,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",22119492.92852722,7686290.584811252,1580035.364092998,6650887.860510051,19814456.08723052,1226346.875334641,7879243.229139442,32879012.76214289,8843738.163158542,3539574.910242999,1544691.588266673,655238.2197621706,4916062.015466305,11454330.65049165,19635324.02121838,7931770.639132397,2286812.967350852,9908240.043553716,3957130.200800734,2266184.333864297,6270035.821815233,1481329.862141159,9257760.29500725,3060773.686138118,2969821.436274737,1046765.722413716,12006955.71010511,1343990.629035973,1500010.971787008,4616215.869886916,3610581.767576939,9692996.309968058,5886129.629333403,8614997.067445148,4356449.099021462,16972243.84233166,1889393.397356451,13840909.58690841,18345035.5771263,1989434.033865317,1485819.463684973,2539877.004849689,21610288.00465448,5452930.644489475,14408317.31641762,29911331.29899039,23762833.59047133,15920655.68259755,32936328.35416893,14745605.64125422,24496599.0971389,23356928.60790417,4984998.140465512,24918980.64104942,16616846.22870702,23742434.23404841,20058375.4739313,19914748.85244015,48285634.886835,49277107.88969852,49466717.47249421,48543495.2241384,49786193.8272609,54279176.45517458,54513808.60980213,50924625.05207248,51574043.64276256,48556191.04453393,51119429.65358311,49116114.73764456,53052067.78804623]
["Com_1360_pos","Gly-Tyr","--","C11 H14 N2 O4",238.09535,3.895,239.10245,"--","--","HMDB0304778","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",20282646.68935236,14978221.32994589,24061871.8309478,27368204.02764457,22400950.20912619,9161313.4046807,27961425.11221219,10974026.281206,32881344.34001526,149255431.2115854,15925263.49851871,10237148.3645953,23799014.45939207,14902988.13026075,24780541.88942876,15926657.5427186,13889804.01469928,30962141.93028968,19956418.94726503,26026710.31226242,51898213.46580665,19090909.01217084,54392243.57297443,29316915.33601886,33852731.59072657,11985321.47218369,14566786.94311325,10782456.90580547,23248970.14135518,19533439.45571184,43960898.49026677,19327010.54747043,11970911.69873843,17619415.59369114,31905543.42013298,22341623.71325437,42124625.77516057,15883793.6891608,18262673.19444373,8197983.588177755,10832940.14544832,20664090.90611714,20982067.27524436,37172684.77655654,31887848.96830828,13561822.38394837,20869585.65328489,16633187.55202514,33905074.93917481,21566196.90556335,55008027.70099336,23013764.20013868,55320300.00148702,20355847.57289959,13163526.33634436,30650562.67183017,23734547.47778128,13871258.54628076,18723370.3373777,17993769.16727255,16484257.22132844,20585163.49870366,17061287.22408741,16049610.09862496,13137265.60506441,15493620.83979575,15511196.55463924,15684936.42856292,14715101.87031305,13509600.44723578,13954343.23496629]
["Com_1427_pos","5-Methyluridine","--","C10 H14 N2 O6",258.08505,1.396,259.09244,"--","--","HMDB0000884","--","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","-","--","--","--","No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",42484778.02147683,46663283.93662068,82629021.23769167,58594762.64370608,35557311.61226594,100240597.8824527,61212188.72139674,42239038.11272691,46127764.7010222,75259987.72250098,124423345.9170178,168696721.8067392,54409375.81096897,26985128.3889302,30541894.19596489,58517616.18334886,175103194.7557339,34165844.67516392,56533138.58213215,87164918.49916403,57555119.81038801,59307867.01893353,61802167.59914923,51939199.14508229,73356487.05420129,129795523.7351057,49084732.30022981,101673944.7405811,61183458.07491892,91220072.0604034,86270333.47180486,54750264.80122117,28388757.70333402,30470395.03112693,52349132.27281224,50784729.88800514,30484411.43341894,40042353.65571634,39913000.88214938,69383932.49949905,158345125.1401226,48380685.20026467,36863073.23305941,108349346.3661445,35591662.03154702,38693163.896676,28785389.5856732,30510469.98526034,42466799.59072565,73316325.75247319,46757141.60923103,34090755.39632481,36761333.74473438,24814768.27722856,36208443.22271876,29619113.32950036,38716414.4441391,30430775.44923332,43232929.0806958,53302240.02935468,46176273.3040545,54335340.7917022,51738611.66838352,61913570.20168666,50159123.20437695,50640636.24413604,53588253.92321674,50724065.02093822,52829416.77738474,55511980.16362789,60300069.12782661]
["Com_1511_pos","gamma-Nonanolactone","--","C9 H16 O2",156.11481,6.404,157.1221,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","Gamma butyrolactones",79943075.03939624,38474177.36299708,31773406.64190663,27477383.373155,55367620.04737819,35914777.11561272,95594298.13047276,83802267.72160643,34661163.16216773,40326726.09336183,25452251.16202012,71387583.31588227,104414319.2936068,32190537.81888268,59869465.83388859,30899843.01065424,33411308.62701331,33849397.20968563,37661406.93821175,47380255.93927524,29949491.14669934,18570600.60663366,46595768.90489725,33154464.45799705,34077140.08522358,29870259.88968556,117513040.5899867,19570790.89353441,36558147.46016034,24638848.29932925,23782163.42021196,29226269.76213602,69749450.99864316,132097097.5531214,32466760.9483856,57966435.77025761,19155170.6274851,30947760.50404066,41237954.7082432,26960188.81323564,25366471.21950708,57430875.52984281,104880292.739392,36761846.3495953,48216356.72532092,80174607.95420466,117207193.0155617,66247971.15394653,71614930.72678113,60819313.41633859,40787149.57237279,96942512.8039418,92540338.65277416,25649888.85732123,45033261.78125618,38159550.93232851,66440568.27962665,57040500.00997738,36117116.4279318,39166265.69106484,48725604.94156219,33060849.95890851,32640530.73880067,25462032.34152488,33472956.57871812,34849249.35545021,30094295.01613689,31391246.38110131,34219226.55927325,32575780.31666595,32079013.93318022]
["Com_1519_pos","(5-L-Glutamyl)-L-Amino Acid","--","C8 H14 N2 O5",218.09016,1.396,219.09746,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",38871509.12536986,91748317.00092804,68008004.47604072,27865873.73332207,27481925.70052242,90115659.55928952,33614699.71578869,30476165.16702153,30538289.49199717,136248805.9693369,67093470.49839422,71102332.0265664,95917124.93595427,42998777.79383125,16952050.40193722,32681655.27988081,106962650.7930984,32431808.00102957,51103508.19675426,31136488.11998688,61511268.30742924,26626379.72821672,86588533.31720836,55796836.12786306,37635289.5131852,89174984.94423577,39283755.35755193,25593181.15629446,42465987.63012783,25717582.84176684,41119475.01986293,37420193.35427738,24775596.9704168,20349782.02159302,36474339.06291924,41788819.12124264,32738177.09705524,14949293.70544911,44266997.30358421,29773983.25662275,86530333.37095314,33603097.2589053,32179713.87464686,75051924.87153186,29176235.45228852,25884409.05717582,23555014.59198595,24690039.00512286,77578412.1708138,63265640.32761436,29466072.73647802,18556152.48657452,40138256.42765207,14252613.94064546,37464959.9496093,42234834.53895216,34559549.92205577,36308861.02876087,32566748.7142156,34506001.08626883,20770861.93980972,25416803.0910424,28777091.53367241,25269734.20293987,28901635.06817157,27650777.4820234,28734740.62899134,24096400.47178793,19327174.43756569,21508453.20244431,29614013.94681006]
["Com_1593_pos","4-Acetamidobutyric Acid","--","C6 H11 N O3",145.07398,1.369,146.08128,"--","--","HMDB0003681","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Gamma amino acids and derivatives",37512872.75394498,32955477.13632619,68412687.01433872,68108442.49563257,30366155.4767486,128084834.5970358,31981804.75455501,36371131.06372707,22520969.38882452,72943208.28799374,69139068.9483064,148048539.024367,24774531.43055898,21739755.48103128,24531432.90719043,33697660.97679752,71992593.85399297,26027934.32113674,34525736.57817207,55891565.59384658,76469635.33352703,130490568.4592866,18058543.61876887,63283550.00431945,26937268.83671087,106455761.2431216,16467778.94165699,152460334.8991639,110913594.2708938,59939632.85559494,54153185.6673601,46531875.43432311,20286932.91435747,19067644.14052534,124845009.9255357,31946519.19668891,121654618.0432894,24378152.77038848,33383893.9369031,97175554.26077752,66183745.0846665,35266559.50902032,29324475.65303269,27951839.83477763,29486281.0865493,29855231.2857448,21110209.21389176,34795159.39863802,31333244.02831276,29765064.17657539,23136105.8890901,26146886.2756816,18038471.71986766,25262639.97851863,30673007.16835075,27303343.5397428,31471674.35633506,49569185.06248647,33409915.0000645,46465576.18207433,39859499.57402334,39557770.81951267,42330232.73558845,43873383.50046851,31171259.56930937,36865420.81761277,34428145.66673379,33158974.95761066,25754779.99808275,35622067.42193925,42839347.75024472]
["Com_1607_pos","Linoleoyl ethanolamide","--","C20 H37 N O2",323.28194,9.34,324.28903,"--","--","HMDB0012252","--","Organic nitrogen compounds","Organonitrogen compounds","Amines","--","--","--","Full match","No results","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","N-acylethanolamines",6010265.9266993,10154705.49669304,16225855.54080952,6273147.064225041,37327654.48655859,8947262.64931809,24615811.75412057,6030688.436611235,36651198.66990447,13891140.94184075,17751471.34720203,16102076.79795601,11778232.96252821,21890434.99453251,52000972.92906503,21653017.37975541,22818925.9673566,25189273.41072847,33162174.90069828,42018552.64531794,16231967.81402056,33854565.23149806,77022845.60362856,16522325.25194666,31052857.58330389,26153783.8183771,71351500.7336327,28665824.83871184,22297981.6332591,49979294.89135922,27738668.24281406,30527862.41355585,33353402.62512822,87316527.47014233,97261948.81998064,28352322.01727044,154609897.3203089,37339953.08609016,11078134.58635182,17064499.36176263,43947126.69703518,11074308.11118932,4746089.541273708,20511052.05277148,12702063.10799104,62180732.19750404,5257503.773530072,10241639.21731188,34296093.0293964,21416804.62157772,94031339.07560596,34888511.79435618,24882190.20576222,14113643.47164437,9339032.630740182,27202052.84099166,92141052.1925178,5217322.393492819,24896611.0504536,23351013.43256028,26508250.54494323,22973579.98218888,20198383.53581729,23109597.65991511,21721958.17749551,18202819.78720324,23160253.65406706,21450063.93693872,21078260.74960967,22410309.66358992,19977523.37655932]
["Com_1609_pos","Guanosine","Guanosine","C10 H13 N5 O5",283.09148,3.273,284.09882,"cpd:C00387","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000133","--","Nucleosides, nucleotides, and analogues","Purine nucleosides","-","--","--","--","No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",220229831.4993656,28728269.78841745,59568934.10402117,37485714.79661766,54753551.02101143,99391841.96571895,24987854.57297581,88652429.27415586,38762437.03028042,48468229.40615229,40506930.6979898,32668627.23471637,10176003.18312055,6576764.559556205,12048497.69596652,68256758.55228592,26699611.79406651,21112321.8357868,36159257.31655744,74007541.43162589,51033099.89744746,44317933.47817817,22850881.63089122,80277828.15719965,24636942.13614286,31439288.39584028,25031920.31162686,23001794.84101314,63482441.4817588,72757090.75304954,149129082.9699527,58828448.88769005,39387832.15275651,11691569.09376285,113543302.884128,16816168.73153535,79692044.5441089,38116343.37619349,45261753.34004016,23417988.0001905,15693051.88393285,23345374.19094089,43106746.74696102,18103503.93725731,54717482.10606524,24526068.6616479,219538073.1469756,44257561.48508109,18126855.68175877,45738916.79770667,21608857.53074337,19514208.41101101,20755098.00003982,12737633.82841186,21977210.16985749,77629292.75624087,24111199.58697754,140432016.5986397,37456923.5179119,36066258.2070801,36481324.11118332,41285675.54563076,39137560.75662007,43647001.18492292,39517478.15799488,43088134.79622737,46615235.26579058,50805657.00941095,51596151.00624372,47031774.04390895,49322070.44342945]
["Com_1695_pos","Adenine","Adenine; 6-Aminopurine","C5 H5 N5",135.05442,1.403,136.06172,"cpd:C00147","map00230  Purine metabolism;map01100  Metabolic pathways","HMDB0000034","--","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","6-aminopurines",27810521.12674297,28114067.48945965,91856191.89841804,31499962.54701356,23016645.19131486,153338887.6175117,18095194.19030937,8689337.553441271,36153034.05795731,55259992.68960084,98227337.13125712,48971719.30576536,4787154.76057358,7437193.509455448,12511385.07814962,25065821.61134978,85325238.69682708,17693312.56629285,19435589.36250425,93756040.5712588,47163757.83637261,34593060.64429908,6526130.054581346,14279095.79224172,4767926.136546345,51134906.11541156,7066894.8231836,148142503.8105122,16781231.46835712,28529919.54778302,73127404.5426063,32289428.88075717,8527662.72059245,10666406.13794409,27257435.48853073,9906429.447723666,15596772.35967201,11870096.01498454,13956904.86696566,141279445.8442908,47663084.06657086,49871808.98088232,4972273.529607101,158440925.9400382,23526305.32089808,14826988.23839938,9863918.850658,5828921.515996823,9748584.61058561,64245433.90691574,14819317.16307985,9600911.770364525,19379700.97366185,8746103.944561245,15893713.3956832,16035529.15907478,23625819.09351927,33244367.97786925,45554618.9937152,41733841.23728899,44109463.28230524,41450677.30411499,50556686.06069836,54306716.99521335,39925508.20689416,49886121.39411019,52311235.29451562,45213411.32521094,51364503.44992173,45390217.34126006,53984967.55973013]
["Com_1968_pos","O-Phospho-L-serine","O-Phospho-L-serine; L-O-Phosphoserine; 3-Phosphoserine; Dexfosfoserine","C3 H8 N O6 P",185.00893,1.307,186.01637,"cpd:C01005","map00260  Glycine, serine and threonine metabolism;map00270  Cysteine and methionine metabolism;map00970  Aminoacyl-tRNA biosynthesis;map01100  Metabolic pathways;map01200  Carbon metabolism;map01230  Biosynthesis of amino acids","HMDB0001721","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",69489683.36955898,34821766.67297541,51482698.11629278,103712750.6926201,109763635.4616708,83090197.06988184,77837406.82392411,59816585.11481693,96867204.27994904,31514840.87711379,52721356.86956224,25231931.09092538,26304950.21739461,60729262.31258705,79350212.97108132,58298885.35680068,146386173.5554601,78269886.64421716,65167885.83448555,57714582.05959715,58879299.33074781,14286353.50380223,55916601.00162057,36072750.2019508,27782891.23031204,73458270.84251446,45532090.66649088,3103049.352318318,33279770.44157427,42254622.83285563,62442837.76982614,52180508.92364164,83866105.54834047,46551450.47056848,33289852.05074758,38031294.58650313,55943541.37491688,60917524.44266795,43632707.80362362,9194254.737974156,97577909.68212318,58273019.11913482,59679174.10967441,142241381.1528565,74572380.12810327,71332644.39801547,87964484.12004253,68878399.13306458,39454080.38348139,38467101.67823429,64966135.27109043,82844736.5084989,87513580.82279134,59755446.27728219,16115948.39702486,77514868.1100154,92568551.70103133,19236807.25022309,50771072.0235095,52810673.63377905,59603510.66462493,54660129.60180712,58557050.30806823,58669438.04251747,61492780.53785652,59599188.1328883,59441214.38903989,60296461.57990695,65474063.71202409,60802456.80961207,55225884.34298668]
["Com_1989_pos","Methyldopa","Methyldopa anhydrous; Methyldopa","C10 H13 N O4",211.08461,4.073,212.09189,"cpd:C07194","--","HMDB0011754","--","Phenylpropanoids and polyketides","Phenylpropanoic acids","-","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Phenylpropanoic acids","Not available","Phenylpropanoic acids",2279536.284682992,5335991.431562576,18388782.68649235,11965406.83170726,3377399.178719358,21582536.30368964,9621420.57581247,1573422.959986245,15013729.29929656,19552519.46055786,27781886.46144571,39294413.73500444,923604.2247601576,1112152.52599824,1169015.629910808,3261207.847134786,23646966.50550771,11684802.57427142,23210966.65763257,41307044.73053934,50262196.24065239,91082857.62604846,9654845.083191654,51856594.2769009,27926983.51736752,40969249.87608602,13172812.38193315,126970123.5631816,77673937.89541243,57590497.59626057,58602627.06854686,31655010.50935531,6505535.32064949,3283675.175693869,52916951.68829033,5987715.959797882,51770974.81563409,11457184.4950603,5165776.023324523,111732105.7034534,29551321.05141376,16316671.43468041,2414013.677896146,18399002.19084533,4962254.025693256,2731817.634134044,3330104.657933932,2576709.079715637,2122636.813905741,6392697.191273412,2660822.695256507,1408980.823404454,14412798.65801527,1150841.491685071,1574934.780101203,3854736.837534057,7331581.718285999,1932375.128544968,13346199.7684114,14124943.56799667,14515777.52103886,13565824.2467578,15325098.83704392,13329915.55665465,15415603.33097307,14326828.54664055,14935941.82242898,13943303.23220314,15536228.56382228,15106458.57136224,13759291.95544412]
["Com_2112_pos","23-Nordeoxycholic acid","--","C23 H38 O4",378.27632,9.575,379.28354,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},30856606.26150494,29398283.0281062,146941558.7202305,265139.6386459808,21130536.71649975,143447.0127046781,77381111.35309069,55562261.00001948,45375667.58644059,32525695.69212965,67739592.84199898,31689313.20589954,16946554.46407461,6005843.015602368,26911911.17217892,12717330.1564019,432275.9896791926,1286534.92279119,29520372.73526018,43344013.73352428,23171404.99797969,10844198.96528946,15558394.83980611,27588592.8052006,34721771.75135193,231454.9295284773,9490292.227126451,8294922.989325857,52877311.15163646,44614979.00629532,47666564.25502831,22084780.40628536,23493479.9814105,29240321.20591109,31009369.71727571,19824050.61125238,1106430.453330065,6657441.024628015,10861858.19260344,12221476.11667238,173534.5923963184,469193.0045279231,26749235.108285,2440618.543434083,68839542.06779757,7833083.226139956,71207018.15698469,21751642.95326297,19048969.62672909,58181093.49422676,11001166.50911976,34457457.01751114,53336303.46375313,16383435.67154446,28419750.71727769,36845971.30411324,39190898.13292286,93536874.66243406,23487638.4684366,30426426.97728942,23372577.6142598,23421945.50957358,22420548.51715766,26421186.1620022,23399833.89345561,25691542.30171541,23377881.34041263,24551942.16748295,23793079.31561333,20887282.89592189,19475186.26904744]
["Com_2228_pos","Lysopc 14:0","--","C22 H46 N O7 P",467.30007,5.52,468.30734,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","1-acyl-sn-glycero-3-phosphocholines",405873.6415108547,423747.6374370937,78756201.31856391,1976119.333474137,382285.6948545888,104801769.2967224,1650107.707705064,139454.8833954606,36646868.68141392,2022413.875249763,81110838.04426134,6233043.047207068,67761.91474755856,119196.9600352269,116935.0981387579,137462.7426701111,8171227.162514894,242108.9104281037,21720218.81780796,4199728.714723269,3685494.636654045,10304246.4739912,251828.6761092063,6283299.14442593,3457749.457398298,9555083.30734132,171625.995974881,6155472.87174233,7227330.989153646,4324748.530357097,3462143.053863994,1224337.022746977,238148.6688406838,121753.9322327787,4774407.157388235,301338.0653409408,3686215.640977533,327561.7974936404,188925.6830952395,8775884.255994175,126954300.3141582,47164348.47936138,161036.3603651266,6302184.867424285,205339.7534524469,162915.1496365188,187196.6050902228,122645.8071462462,411417.1423675049,163615.7978997354,103769.0295835945,86475.40159431467,963823.3751387808,98534.46433115004,347388.4273842335,80303.43728271783,164299.8937939386,115241.4626149934,642059.827408326,1082889.672109983,1170495.215504944,604827.742430874,929448.5879772988,783247.3717658662,1149799.501418632,759325.997079772,924814.2888071568,667715.3633357645,1102118.902850285,624298.289051653,1128928.345414969]
["Com_2321_pos","α-Lactose","--","C12 H22 O11",359.14237,1.41,360.14948,"--","--","HMDB0000186","--","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","--","--","--","Invalid mass","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",3116546.778357817,7763461.924788605,9499514.825382913,6792129.022153688,3832894.019656667,48973538.04563425,7189601.971941518,4127347.67099924,4358427.877159941,19562539.60319391,22303660.24601226,41438774.71892972,3333925.445124443,2789076.534258946,2619037.986167814,5428292.014905021,38592352.26147307,3054232.642672083,8101417.609873422,6550101.481903289,4788533.783289023,9019531.363859296,4082700.47389753,5448156.158257475,3538794.045150629,10178852.69380676,3491205.267239785,13513996.94031526,5132922.250781986,7120295.057861341,3886028.664449681,4727599.608695961,3063794.087164395,4291588.308189967,6213013.228566269,3364409.969057638,4334126.593286584,3429682.376552449,3349618.626570365,5559570.79927332,12367918.08892937,6192046.893883018,2720329.370413257,8967729.023228757,4867687.752784004,4283858.271517979,3558356.731777919,3397864.433821669,3518929.96166961,7920079.793884016,3273900.886604751,2921570.984343664,4675631.49761061,3576251.750835374,3515409.74794487,3206403.352180129,3071038.649752142,4487095.889817831,7419140.95115676,4875785.444991695,7008376.630795217,8450496.715911305,6300250.024102078,7190665.430518731,5241456.658202104,4286043.141849488,6534181.877598443,5947013.071988808,5766070.448112927,4482906.245585959,6483379.173725265]
["Com_2547_pos","LPE 18:2","--","C23 H44 N O7 P",477.28458,8.937,478.29153,"--","--","--","LMGP02050041","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",21217235.39343664,5731001.931755204,7299187.101382148,175589.6448134862,18301477.68268416,129671.5078598978,33883141.53967807,37162996.69561803,3730108.379013156,9790408.191869726,245595.998136245,112095.0375575012,30297746.10482299,9193544.486693934,16562884.75473549,21827587.72785359,57582.21216694765,6497470.926131366,14809133.57199019,38122091.325153,6740948.603045446,20146988.97023763,751981.4770375787,13103667.78499281,3211547.939158021,584337.18409522,1109364.964119277,2624748.387605744,2630205.13498942,8304093.402884416,13390842.27521072,10820779.34414664,9871646.167515237,22814526.23004351,8803009.450205265,8782593.45544312,2040720.63254305,13864468.70507064,42742658.44311676,2754401.140487575,561684.8276907142,578605.5263404856,13352408.07624418,5118124.008050072,35279370.36412875,11854636.24467496,25788808.67718068,23337173.49358296,26997084.08123913,9222575.500697255,21645275.41152431,11583090.40703418,8475130.812859822,5966235.270560735,35491625.75437096,16480659.90860682,11991899.68911907,39139556.84910149,43422661.1067747,43510298.16561701,35710258.36172418,37079846.73546726,33332029.21896508,31972529.92740627,27290626.70117977,28798439.39484939,21697387.76706842,24486792.67120766,21301096.27930726,21619631.73928025,21328403.54515715]
["Com_2604_pos","Asp-Phe methyl ester","--","C14 H18 N2 O5",294.12171,5.142,295.12894,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},43050558.33334714,21108576.21818878,18673956.97253384,44989326.18504916,16596160.66200289,28002376.24773097,24381956.04836293,34546611.4167372,26435825.94747078,80257491.17553136,19155573.81523851,20897227.62961251,51350284.46097952,17402584.59752928,19117492.11706666,35214125.01825572,29939655.66501917,29231356.36760546,24133770.83043738,18967971.141451,40151807.78370587,23072680.26813847,26069773.73167916,24923745.71667783,19968718.82047369,33375054.71609625,20031957.38434144,18770622.06903737,13763277.58517507,15614896.82797433,27341326.22462637,21475606.39400984,18575060.58294298,13571251.46131772,23296034.7465243,17372218.82320632,19081016.56102728,14160677.10055591,28008465.41297952,16595597.47587475,26911655.39012217,18013063.70760038,33453985.85841573,48328723.07355063,33360772.04371334,21667843.24985804,30422010.57717825,37499629.94966508,28892989.77327598,32512908.42616038,28605958.53767385,27717017.01397141,22564025.52792354,20448220.78286741,17016541.31408565,19177084.7634612,22789249.33650162,18911711.23822524,10132819.685565,8011328.86528713,9627810.00201184,8606252.22387608,9982206.389227493,7213111.940708091,10405187.5357381,7359644.821047856,8613964.36370842,10320657.97266904,11711754.3912872,8702272.147806112,7665820.386961358]
["Com_2800_pos","Gly-Val","--","C7 H14 N2 O3",174.10048,2.723,175.10776,"--","--","HMDB0028854","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",26450330.14840532,26328606.75909091,13942069.73840093,56310687.9172031,22324869.47022058,14237866.52705233,29240911.51249971,18766407.02175651,41167557.01843178,63555465.09213925,17102207.87913325,21036350.06515955,72395089.58508766,29814134.98760692,45390583.06302732,46869827.0869643,20969663.96212725,54918743.21934562,43731403.19820777,20247034.60048831,55868820.73362675,20726412.16135536,38557622.07656097,22509010.88073525,13259548.7113239,28716272.18668201,23001761.0708762,7029971.349554374,12353018.22774359,17282975.99243588,38456772.09355424,21751506.69118905,23388496.0585484,23279303.53105951,22702538.29633477,24982027.99810675,29619330.30113587,24018414.90855876,24527325.09513147,14945553.0093994,28008879.6460682,36787225.21256648,32845503.6223427,30658891.02055751,30921753.94509138,20450938.31509097,18815105.34309525,32911200.77954496,29737413.46496335,25835326.89915124,50843953.48782527,36924162.87411587,70626749.84796105,26996554.02747322,11952863.86684642,40158914.54893404,35070880.32206202,15170942.76794643,28626586.706878,27557699.4409933,26367222.65160142,24257387.05319691,25705710.8148848,25991875.01984732,23742106.48596585,23008737.65794965,23740812.70965734,21473177.77399645,23901111.45472147,24031965.99818673,26616825.23546474]
["Com_2930_pos","Tetradecanedioic acid","--","C14 H26 O4",258.18276,6.49,259.19006,"--","--","HMDB0000872","LMFA01170018","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Dicarboxylic acids [FA0117]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",859796.3205386954,7741013.320119387,20466220.62517626,11054141.78706218,10804144.07062932,64813219.67288385,10174496.01284782,777070.2894810524,8369346.559677676,16407091.53592811,33411675.91067947,57894611.7020679,307665.111217372,495478.7183969447,297863.2329316138,2466947.530641991,20823622.86182725,10425698.4077922,29644271.27038465,5221968.712016556,1250278.954399757,1184295.220904568,367919.8379353653,7073852.052168387,1010181.418102748,66773860.64287984,524100.1058099385,1258875.323797069,2535298.752653725,4574245.764445294,3668610.238553573,2899079.759231831,1190585.08567643,1165039.673747345,1895120.014938704,1058382.66232301,2151713.053326968,1671528.43099956,1858816.690520822,2621561.493218182,61110252.48018291,8115699.058849788,6590408.739937105,5993860.913195929,4408907.973516076,794025.0086444509,4764845.521654888,775781.8546816361,2617161.01216167,1842970.866996318,9508854.174904443,1546719.161632336,1501547.49128267,606701.8570663935,1134999.483433594,1540689.551084551,13414933.25799828,855148.4406720294,6605749.58792163,7859120.542983259,6244837.082438227,6169854.114423401,8758708.287842948,8149277.08982815,5414623.538968964,8163075.6735109,7165919.854147471,6172814.010593283,6887020.780784933,8674663.555675456,7991313.363785697]
["Com_2950_pos","Ala-Gln","--","C8 H15 N3 O4",217.10621,1.351,218.11342,"--","--","HMDB0248109","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",10121840.45418803,8581226.963147182,30124246.54485071,9446408.007894771,3871116.83816973,19914684.44462202,11925934.95795533,9950985.846605338,8981861.761675136,69963859.83442926,25744698.5945404,40453657.57351549,51829037.19382909,3850485.572446645,4616689.260019857,11616169.06665725,33562782.77102349,7681097.312702475,11712909.96311006,5876356.494717401,13640032.86234154,28932901.20122877,8936148.401628125,23522850.40028663,2798424.8208537,38335111.811808,6474762.969169327,46708078.34446652,20722633.43710977,15083076.13214549,15637523.87700773,6494809.140248818,4341849.960210411,5760518.093497626,11829936.43436966,8300594.705228874,10891525.04642411,5348695.527398643,7778739.339301598,19879749.39235941,18662148.99291394,8942945.833037164,12066909.68880665,24992891.22281994,6976865.659463421,9150511.45725755,7612033.097597723,6308929.274729477,14296370.53475857,13145094.55086905,8655409.126090642,5499352.887459248,4842103.074496772,4871413.287976013,8482378.27084321,5042199.604359476,7208679.726464963,12171668.49910762,4184935.88517405,4286855.528582448,5877868.947309863,5869632.085401481,4406699.716694083,5765514.68615256,6312880.579829697,2772532.091468906,3585577.455932038,4636322.387104727,5714023.287453315,4803214.037735505,2123027.611979995]
["Com_2966_pos","6-Hydroxymelatonin","6-Hydroxymelatonin","C13 H16 N2 O3",248.1161,5.157,249.12344,"cpd:C05643","map00380  Tryptophan metabolism","HMDB0004081","--","Organoheterocyclic compounds","Indoles and derivatives","Hydroxyindoles","--","--","--","No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Hydroxyindoles","Hydroxyindoles",1171736.813223789,2043218.173985268,4000163.28572943,2091332.456018653,903571.160552659,7564828.001668397,1735127.802197065,542579.1210328924,2157878.140171529,23162127.44671517,7246103.654051176,8670636.171156716,759163.1924057185,811687.7387932763,804527.4011971394,2280710.523262076,7105939.374978579,3876477.816746003,2704910.722789023,9808043.060927194,13189707.22017722,22061808.28592861,841012.359059576,17970784.72730697,5303506.242794054,7621682.701639127,1977271.231000179,27919672.05198169,14142919.54978852,11370393.29803109,23509201.42997448,11345046.9283857,2569877.718225826,1107769.994433003,69619319.33088787,4388993.94413097,83047883.56950882,2713492.368472414,4383437.732105702,20067777.83838913,7850823.463274786,2998159.005443474,631039.7903636924,4847276.829777422,5383490.037046355,679831.4587911883,1904374.710130364,620587.8482575628,725945.9622474917,1621930.327886117,862831.7921181597,717530.5559127489,1389125.079810861,730302.1534617837,1006667.078540718,717887.7607684612,1337348.560600884,415253.8113934241,4666494.8156476,4348213.251183488,4797149.580313223,5200139.652671717,6027928.226376811,4527069.522137319,5412755.580221123,4779344.187443193,5625199.8878356,4110363.066020319,4527772.334036832,4337260.886123832,4807734.271785307]
["Com_3032_pos","LPE 18:0","--","C23 H48 N O7 P",481.31633,10.298,482.32361,"--","--","--","LMGP02050038","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",92001931.76858476,39082903.06130108,45124663.26162999,5936901.685609192,60009208.86377448,914068.6009519944,67405581.2177358,66710980.52877144,41840724.28622687,42994166.09753973,19345786.31696481,26325475.06266087,39765361.30880412,32223010.97350368,39936330.78134905,32718355.33689264,7808970.758317234,39159337.13437913,38340019.6343155,36310836.23469804,20189743.75364651,5862816.062357652,38709554.89823829,49523974.45303687,61925456.42214935,595324.7295854663,28311697.5756775,975051.080711858,24240378.99458288,22120231.29456197,28809470.54513428,25754156.7598341,41977267.09806235,51716860.3775215,8573909.760921912,19759549.51960114,1347229.399283988,22172829.54695376,70489441.68487026,3107129.06672543,1512267.594273636,35077424.72617657,59323395.66264222,13023020.92239843,69363553.62542392,71483412.4190099,47310240.08699434,59354012.902937,52658194.04339214,59815927.64456894,54761257.01657247,22278524.57761214,23157993.3484472,15670327.13358116,41864231.76352988,58464674.74091727,39783310.06625947,37538145.91449093,27661571.9546345,23120995.24888377,29142700.43696346,24232130.49918326,28239953.30806537,25753337.84751752,24405077.58929619,20335651.8761388,22106547.81063932,20529865.84513132,24390819.37792504,21664009.4956526,20682839.6671255]
["Com_3045_pos","Propionyl-L-carnitine","--","C10 H19 N O4",217.13156,5.205,218.13889,"--","--","HMDB0000824","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",1550210.374039874,3388349.819110554,8100577.547398411,6085634.48621642,1840674.734879261,21182500.74696107,4028052.811273105,1715136.43806019,3758584.341713023,8439960.16410435,12467537.91458842,19714839.3740904,1633728.735073193,1177844.117574688,1182799.289928973,2543482.053619609,19735403.57787259,2231781.856945113,5173490.463784474,15678675.47779484,25430588.24412181,67246252.20053555,3035553.035053621,25646114.69491822,9462651.479806889,12616147.13258345,3536948.166515667,52507920.76313987,25071737.00815821,16489452.38945334,35550997.8203632,12688171.07545972,5098366.522229811,2706860.021872952,35419600.84570947,3970214.383304723,46548305.42168784,5841374.393026684,4471735.984131533,38904562.15245418,15734255.39275006,3998488.338139143,2099671.790727192,10596393.04224005,2610763.333675447,1865038.470987574,2786527.84927287,1730540.438719027,1213423.405997798,2182001.677149754,2248286.591278305,1015971.91731538,3580530.690105399,724029.0015015741,1121999.227182636,1138728.301700881,3079069.049542509,1045089.745967395,6241815.75304903,5705936.880091658,5737615.456479467,6203015.738083867,6485527.628679794,6703314.974555328,6442971.353568575,6359068.162730783,5994173.870388211,6149942.971986219,6302844.535039305,6658632.400164528,7975810.261082274]
["Com_3148_pos","N-Acetyl-D-tryptophan","N-Acetyl-D-tryptophan","C13 H14 N2 O3",246.10051,5.3,247.10762,"cpd:C03137","--","HMDB0255052","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",19905999.56184676,1903430.779936428,16353701.44392104,9228623.755861737,746174.1804086529,25686823.5389935,4497032.632044585,11114368.14658471,4709245.204788266,5962183.837888206,19086147.29244447,27493682.3306945,514312.8736543823,294931.4468753032,318863.2941959557,2758341.555041473,26362566.06280045,1848211.776822616,8114468.724043405,20786514.25139661,50909457.16485707,26589098.71494412,1258466.536913522,21129871.15931839,9840047.843392745,18842245.36283671,4160393.796374872,45705151.84666118,27041791.16284958,21635897.64218077,17493404.47472195,11026904.56302858,6480537.253096088,1005124.364940768,49180169.48650826,2431832.848959632,55209784.03460306,4376972.992273209,4588807.995253305,74558271.24243462,33761528.85162772,10182873.31043187,4227496.668255891,21487293.80197508,2288952.333195671,944379.5985301004,8762247.630892392,1098950.751572625,699216.3537794373,5499630.834568348,1056352.720021751,318797.2083147158,3382703.899480341,819164.6832397344,1797157.822310634,2325157.920803796,1123261.940220097,41881526.96451331,3405536.58223476,2574743.992970747,3461324.791587925,2863137.778237725,4287594.551346233,5125653.533767689,3816493.474858538,4113751.854945642,5592051.069308703,4427342.263744151,3533426.073117277,3938012.425109285,2268905.155318274]
["Com_3322_pos","o-Cresol","o-Cresol; 2-Hydroxytoluene; o-Methylphenol","C7 H8 O",108.05752,4.863,109.0648,"cpd:C01542","map01100  Metabolic pathways","HMDB0002055","--","Benzenoids","Phenols","Cresols","--","--","--","No results","No results","Full match","Benzenoids","Phenols","Cresols","Ortho cresols",43271059.73828106,34272274.87694703,13385718.59166276,36018788.44643787,38360622.61224075,17941435.17546653,29224669.25943314,34091236.84918005,33504799.42988209,26128670.01877443,18366636.50183103,18755368.35936314,43962590.80639958,14894570.36217354,58840807.11228432,29733476.46339073,18229593.34224396,42639066.36673146,32026562.84451744,33892854.1791013,30579473.19139428,31229031.62864016,50086480.62325494,29075052.02693563,45335417.66200779,25950005.02351733,7586139.286205544,21907511.05851968,30455070.69326872,40188537.38076957,38948886.56398113,40549996.76039578,44242205.78607307,45499667.82997541,22192822.1668269,49852153.67112408,20559892.99935129,65144244.20491625,8772525.786026662,16565246.06494178,18936456.64995742,46387118.34330377,47618222.14787808,18781545.86767433,32393590.82710323,29459770.80002448,28352862.0559275,45346095.86411453,39572256.00190955,37338673.23254443,58829530.41457677,46274346.71997827,42766488.83048483,50241656.64804692,44944073.6967802,51215818.68137677,37781841.81843548,36642872.81098408,34117356.5430049,31454452.42884437,44561994.84059104,32244183.97292006,29170370.07386015,32848637.93880053,39443557.80959249,33733495.98241532,32153676.95282726,48072344.07394,34151973.13890673,28574638.30475323,26719460.2156493]
["Com_3376_pos","20-Carboxy-Leukotriene B4","--","C20 H30 O6",366.20284,5.871,367.21042,"--","--","HMDB0006059","LMFA03020016","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Eicosanoids [FA03]","Leukotrienes [FA0302]","No results","No results","Full match",{"$nulls":4},11656087.88677078,5920976.095928023,22757409.1616497,13333284.60931001,8901489.34761881,28200735.00559445,24112860.63926693,18113805.14020664,13289158.34721026,17135632.57593666,25995478.61882296,69987846.14165679,4728934.543603136,7873106.088450439,21874724.49691314,4948509.562894804,24837245.04515179,8899206.74322356,12421519.09845196,11887495.28984713,14755430.99775221,16020915.35046817,5739445.313291511,16600598.14097844,6975802.566291941,29397528.44869491,14215235.90981702,21534037.33611535,15553750.73574064,14331258.69255059,12137564.63870379,11221505.95284628,12847750.3562336,30167565.25701455,15499580.20082443,11319833.43366178,20145547.07959105,4252680.92299544,5419445.490538592,18400940.72905829,31155297.12449391,11927824.78598374,23205494.78427881,24085186.47603658,6112180.239578655,11573094.83992405,19160944.20627782,12323245.25328264,7017868.888507756,15814945.38909235,5676493.960510129,18129688.52608876,24560254.1898855,13375969.34417137,2329318.70651338,6700095.974822037,12464714.15663257,3457466.376470345,7658289.31392979,9145677.644734155,7113381.456853474,6375559.04455222,7901612.645161721,6964162.25434736,7359584.194040501,8007048.990131035,8398272.262551408,8044490.935585997,9559697.308486946,9248635.538581632,9031773.195572298]
["Com_3921_pos","10-Undecenoic acid","--","C11 H20 O2",184.14622,6.436,185.15363,"--","--","HMDB0033724","LMFA01030036","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Fatty Acyls [FA]","Fatty Acids and Conjugates [FA01]","Unsaturated fatty acids [FA0103]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",4343421.006483528,3296675.895242889,9689189.115279363,2827868.702442579,4724922.335448997,27812842.84094336,8497777.8213254,7429625.969245666,7153047.546989559,19420440.40885949,25381867.71268912,58169718.99499331,17353861.54871983,1888651.094556901,4183944.629499653,2545109.967289419,21582638.0588057,7967558.136102461,18685112.53573059,3421000.208876063,2213665.734149271,1175821.323747508,2691145.559543648,2244341.378017122,2886445.993229521,38626153.94570774,7523863.44293143,1889883.028761888,2718312.891929747,1971331.703295776,1883196.892628883,2217819.470333814,5551370.004137708,12993872.24486838,4053753.444646521,5516260.133064088,1738790.359831428,1428663.131014356,3123648.862342434,1846370.87072974,44023387.67530265,11488852.42252115,8986351.811253898,5425320.501344284,4636340.7351928,4782789.898676839,8438489.392285194,4396813.796931737,5668959.547158571,4004742.922912986,9508851.517246516,6324787.243586873,10000379.19573064,2121150.450567272,3279783.240029051,3613333.878755664,14708921.55843772,4155570.351603581,8085289.66706587,8216971.18200361,5716261.091558475,7271282.376155295,5658982.87502439,4637093.95486932,8400930.569599826,7836255.521229793,7340041.739370962,9003659.378463684,5890732.08249665,7391384.396778536,7050781.253060075]
["Com_4236_pos","Pregnenolone","Pregnenolone; 5-Pregnen-3beta-ol-20-one; 3beta-Hydroxypregn-5-en-20-one","C21 H32 O2",316.23979,6.561,317.2471,"cpd:C01953","map00140  Steroid hormone biosynthesis;map01100  Metabolic pathways;map04913  Ovarian steroidogenesis;map04925  Aldosterone synthesis and secretion;map04927  Cortisol synthesis and secretion;map04934  Cushing's syndrome","HMDB0000253","LMST02030088","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Full match","Partial match","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","Gluco/mineralocorticoids, progestogins and derivatives",844961.4318529846,8821390.775211386,10385354.05428328,13038402.36566648,7364822.48576656,13316663.34406454,6162647.680187008,451663.9597941363,33472083.26383153,12073008.91830527,10670897.0976779,16060646.36725511,402667.0910446389,376684.367297483,283497.256932504,6137463.740989549,10067716.66315084,3492863.947990419,12729797.92596865,517385.7082108574,2541859.898385821,531288.6134433367,449334.5059909752,3318635.887026179,453552.28700548,15022893.47773851,287152.4307108246,1938718.826519442,561945.6757181854,369578.8990032302,862557.0553936145,615900.2288878512,462451.6728954073,420097.777098929,832315.8818981018,355290.2173258909,797683.4375657778,324321.947259924,304449.234211014,626396.6317806598,60471421.16753551,8798814.658182766,1645091.807467648,20474640.01759816,19967359.43949484,492712.8686836424,7638664.385194189,561086.640279789,5420197.976627546,4314942.057861066,5271909.950772373,693644.0266839566,605684.1629252349,367854.1978363929,440611.0642006585,784883.3582775448,1519858.119072225,699597.9950744066,4794469.43555356,3552974.928642655,3272917.394174742,3430580.911129036,3495152.524451038,4239324.256869041,5039798.118377871,4355771.625962932,3336922.684383675,4269675.455838853,4179534.030868674,4473199.605314091,5105276.211563348]
["Com_4649_pos","LPC 18:3","--","C26 H48 N O7 P",517.31612,8.484,518.32324,"--","--","--","LMGP01050128","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",3671171.163125617,95992.37107803856,1600945.679772912,775730.8579669546,1044498.824892985,181450.6028842743,2529576.393332547,15073840.51793537,1064976.044882374,38356698.20168605,575118.427843703,742497.9571270125,32209167.72055827,800748.6024761638,9286867.617856858,860772.2690784056,643515.5849666268,673388.1687319222,1450174.306119721,1530238.870231178,1547394.098269652,1825359.009450091,34168.85876583197,2215967.87716508,88142.48582834387,1822643.027906781,46449.99361488053,967916.8590928708,515653.7581826602,204604.2851731051,3832305.822302088,703547.3454452589,1976912.90300139,1424493.654447361,981836.956171874,458259.9250821632,1743882.849470079,796884.7247289518,4590486.59110273,1836486.993593902,7930745.8627943,2740441.78549346,3106158.560333152,3072090.347250364,1193954.546758447,739446.6586650998,1418737.770155182,5432792.144209475,1722382.287511039,2263675.833655137,850597.7753587747,4412595.862011693,5337895.681512669,1035424.787884512,1427529.898587984,2314671.334538379,1375762.143476478,5175748.774403414,4079966.06844874,6485864.021409231,4669928.422947254,4199112.05435858,4563026.475916463,4788100.764493325,3740109.647096158,4679856.145473558,5284230.50340902,4092182.191598097,3530252.274704819,4377148.979516243,4104213.2721355]
["Com_5303_pos","Acetylcarnitine","--","C9 H17 N O4",203.11589,4.929,204.12315,"--","--","HMDB0240773","LMFA07070060","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty Acyls [FA]","Fatty esters [FA07]","Fatty acyl carnitines [FA0707]","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Acyl carnitines",2417658.822149166,2426955.670013611,6608460.263268192,3447687.560712869,2884090.32292682,9293412.629723502,3554601.109959152,1489078.02024199,3791916.356310313,3179152.994571516,10667585.73760824,9820595.03913542,1437132.310693982,3138461.05414725,1853023.794124958,2000862.658433109,12905911.69951728,2422870.433077226,5497233.242782928,14511170.25335056,15929228.27338836,33751952.87197942,4740234.464289517,19696421.41586776,9035228.774865482,9092186.030785296,4383504.918803927,31958443.95547126,23509834.92518291,25830818.25903405,22646928.38403337,11558391.42478497,4985032.632929555,2256071.158996949,19321472.31522102,3510098.781239172,21499339.30594273,5960462.691577061,6043207.389906989,33650405.11113748,11902395.33890781,4571948.948954381,3567452.952790113,7387958.306713914,2258330.688909224,1151379.196143811,2944098.243254926,2879468.848364735,1527645.939211774,3576392.857336661,3448929.773949815,2008789.804245631,3931371.327869081,3105240.189060374,3155459.473433237,3695839.501513623,3140430.066998348,2123214.135050193,3472650.22637966,4692298.660407925,4061877.394178574,4680823.107216613,6244733.273171618,5307380.335054614,4868648.555749306,5935486.069512069,5046773.181788457,5474319.401961452,5940709.625994091,5648479.789891232,6096937.523791038]
["Com_5504_pos","Acetylcysteine","Acetylcysteine; N-Acetyl-L-cysteine","C5 H9 N O3 S",163.0302,1.407,164.03757,"cpd:C06809","--","HMDB0001890","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-L-alpha-amino acids",3815951.482604468,14435035.7751622,9058312.848492175,4335427.126562255,13314436.35365622,3487492.990387423,9000811.746595234,5224178.380377558,11920974.14167941,4799633.614048705,3744614.163265015,3023878.300245322,11090297.04607694,11586307.90082568,13111950.13165282,6914658.326365422,3804051.384541731,5590468.314453501,6417998.087477284,6861659.103666137,2556275.207684548,2662365.45026884,16690771.29891129,5028418.678141095,12071519.49088799,1709789.437531213,27524742.76984862,3463423.597653,4864903.891231625,7059314.070516307,5750233.698041214,5640293.58317108,31015059.95834986,23546254.3241034,3237833.620025215,9522512.337341316,3154035.359056229,9714034.259425169,7081621.714481186,3804631.422419745,2351063.599069965,8392893.33352346,6738917.917983783,3844810.952484122,6931981.397592765,22150590.42238197,3194761.0724259,4957662.416647464,28345764.68792773,9553430.983514052,25004046.25457916,16701977.71266626,15979103.31090254,4764649.480665918,5122939.402096481,8492896.508002382,17592944.76605302,6237662.427883495,6919350.23816003,7542345.007523181,7276906.990155122,8629592.909564111,7213248.75694996,9703362.41879613,6771197.214640574,7024908.199204567,5657460.505116512,7463044.023235387,6205397.307079745,6773933.248491815,6923668.452228083]
["Com_5588_pos","23-Norcholic acid","--","C23 H38 O5",394.27132,6.319,395.27853,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},1640192.654254906,12297770.38960157,29210100.92822845,47797435.14067192,6131720.599679324,55888553.33314181,12902931.2358651,357985.789741944,15329816.47303941,26017445.87594299,39333202.29651026,16810032.14069419,382722.8422990532,335071.1113346831,319329.8129114271,9444851.195174571,34157094.67613379,3015295.600805712,13009246.88061452,474140.2107316136,548594.5037151102,360110.1084558608,272103.8011535185,487245.3342323974,290007.836834838,19715122.44930515,285841.7212050616,422046.2279549989,502598.8519543847,307619.9324741675,474189.8485927351,598359.4902386372,347794.3717086475,423591.3563210634,741416.3846866367,622985.7561794696,2039182.619319864,330592.5409250583,287106.8822062584,526034.0131380664,19494346.63739101,12673306.31537182,793739.0314989657,20147009.35354935,14471084.86911497,509528.8411758382,14178608.12208006,484809.4948533082,1091375.485129601,1242906.69469603,642229.0428021566,293585.0119476899,1039720.948650735,331961.5811999964,530175.8245025111,350737.779255238,1469213.942289411,526221.0246316865,5037986.29600565,4895062.742381717,4779269.859114585,4512907.344252436,4023539.348104353,4750017.078214459,4479636.739039946,5758145.793768781,3396696.777446113,4830363.465663992,5711060.620731683,4768934.859204363,4660509.823560474]
["Com_5697_pos","all-cis-4,7,10,13,16-Docosapentaenoic acid","--","C22 H34 O2",330.25533,8.801,331.26276,"--","--","--","--","--","--","--","--","--","--","Full match","Not the top hit","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",17301538.23503254,9577532.77513977,3510025.526260933,7904798.804451352,16155824.8730582,2674944.854487955,7271544.407699405,14718392.90084658,7114133.710326787,2252853.274415509,4877253.3645975,5642613.2357781,4406373.649858587,37282392.5333212,17172993.55641916,11393167.08379693,8101861.621651404,11937063.97544776,6489554.208305831,4317112.052002447,5909719.981366122,8330913.146581467,1609962.947324596,3258963.740789679,6850470.260460895,28814401.6111201,14490204.712437,3931948.776352276,5507034.330080458,9018841.98678709,3964125.140665372,8911527.874729889,7495486.884695794,7380624.497736722,6822923.521153511,18005650.8040401,3117217.142431933,8439848.159460416,10262292.28553123,1361619.312248548,4960973.228555881,7317730.821176052,10201646.53635038,3599177.778553218,14341041.73236497,18759797.02535101,12436819.31830035,26619010.87219955,8288573.261684725,8893631.863273902,10017989.0096014,17180549.37210687,5425564.058083472,42490275.91993402,17726427.12435943,16416858.66694276,7352467.776056647,13979842.98054034,5809123.70355882,5226222.527777302,4482839.769281145,4263707.508777515,6677971.381140354,4865844.910506676,4445345.939963868,5061233.558702024,4685150.763202244,5057338.682599475,4410925.377635679,4853315.497304356,4848177.703208863]
["Com_5848_pos","Tetrahydrocorticosterone","Tetrahydrocorticosterone","C21 H34 O4",367.27177,6.582,368.27917,"cpd:C05476","map00140  Steroid hormone biosynthesis","HMDB0000268","LMST02030100","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","Sterol Lipids [ST]","Steroids [ST02]","C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]","Invalid mass","Invalid mass","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","21-hydroxysteroids",1798490.642876851,12380367.24463714,15087782.27648923,11694763.63079327,3460154.80447709,12269847.35176375,9136340.955935396,582269.9098488195,18721126.1670112,9227006.488138048,15991129.6301611,17094187.24784835,630835.6272374605,550487.1867305824,333010.947916085,2048839.323933197,8757152.154457394,9487585.71247716,16209513.27109238,6890063.942289915,6152890.934219558,9890293.679822143,779618.451858135,6114485.911769605,2332666.906462085,18706014.09353944,560582.9068990436,10257046.0611737,7859743.496135987,5835217.05057805,5860124.154839853,4147996.824527136,1017936.332656633,509415.8645648345,6489878.23943133,987861.5868993849,9671061.157819333,690668.0790300298,524395.6583456234,13550243.3102734,39385328.96164035,19691785.92028733,910522.456391617,22723446.93052462,21409980.53794004,1004747.205371058,5340596.404836372,1239142.776840427,2163182.363167435,7455922.712324393,3386177.257750924,2074481.026026995,977141.1097762652,620349.502674557,606020.1346272184,1532617.747444864,2855849.074180952,1745366.074613904,8574047.8398219,7095654.905809563,6086391.195369153,5474709.711226912,7194626.986044701,6557167.940961258,5539151.670747106,6322301.414861952,6380136.244494363,7667585.501218773,6044538.375431133,6222483.118579067,5554250.497343874]
["Com_6285_pos","Asp-Phe","--","C13 H16 N2 O5",280.10632,4.743,281.11365,"--","--","HMDB0000706","--","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","--","--","--","No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",6972563.020499809,6301241.087861789,12092430.12310866,12349141.64460934,21927965.46673198,5405798.048782925,13056280.76491641,8721624.023912054,12350791.84142624,16156816.19651365,4159328.485141065,6343752.777009888,15831058.951624,7823852.592479834,11152695.46866066,15400492.7706696,11438494.75932335,8181577.046522472,6740861.886049347,5764399.563119922,10171617.3782927,3927300.294325296,21940634.54634705,6106144.396359674,11889741.98983168,8431553.81791378,14186653.15210381,3475644.800998771,5129348.599648736,4574530.070632317,10042663.91136149,4968492.072201811,5845306.042657341,8554242.547121774,9381177.44068986,7122549.859472261,5115351.236379326,5572973.722314584,7866031.312742066,3232807.760790497,6461261.26871411,4483610.166090182,5592317.922740216,17256535.70791024,8154293.952824572,13047297.57088374,7509810.981284184,11451765.65543043,10405447.39724454,10357859.84654624,15334946.00831192,11221247.75763789,6643015.750167773,6327650.247669611,4809910.384958235,6453496.385870846,12656150.4651805,3630854.180830661,4356559.40457838,4706814.24492202,4120863.965264629,3569739.544916262,3614224.779885868,3244468.477080479,2637189.565728674,2860812.561515704,2691912.497295187,2419506.360158863,2026349.936799293,2396814.462085491,2206335.85896138]
["Com_6444_pos","5-Phenylvaleric Acid","--","C11 H14 O2",178.09934,5.711,179.10658,"--","--","HMDB0002043","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",1971517.099090883,2887446.934990233,16333163.26132359,9246668.725737665,3295042.121719992,15631614.65936166,7247806.161342759,2696794.019963516,4838583.663606788,4964511.810823862,10610926.12999167,11842303.64303111,12944506.11137779,1497395.918582185,1619164.055494566,3354060.957168808,15777490.06929984,4657935.154685608,7185437.401811154,15198043.16293713,19843596.55766145,20933015.59215013,3465274.261015534,28895346.11711819,6968140.934036099,13792699.07066606,5456667.314727881,29311505.30566366,23199338.81523785,17238534.69751151,18459282.33894052,10507698.24008618,4018806.988773426,6841024.483654628,22051959.69149951,4272110.858008748,30754458.23683558,7147044.536714061,5305416.754902323,23017826.87242616,15284809.40676875,4848366.810524671,5145310.040032646,13039775.39492242,3768245.355520938,2343282.103655558,6609130.313050767,3128667.2178611,2390909.06174452,4349771.356580849,3355215.949106651,3162455.30708727,7364197.874666659,2216376.844471351,3223254.269552471,2494451.123109148,4664967.415713077,3335775.260631875,4431153.98152755,3939465.057505459,3756472.409125793,3653347.030683209,3290771.409522051,3095821.010356233,3141665.368951566,4462623.787864445,4343734.024534154,3717952.688580937,4950327.074498416,4998752.973399444,4030562.915995736]
["Com_6503_pos","4-Methylvaleric Acid","--","C6 H12 O2",116.08361,5.844,117.09087,"--","--","HMDB0000689","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",2464677.495053406,3780218.020835801,5822791.268630263,3669887.559273542,3887282.187441913,16445097.87450115,3550587.82927631,3027161.561737962,2823923.897790643,4395047.054277614,7368914.11976351,9235056.24654178,1582202.326253033,1756441.578577434,2026297.749943446,3932564.30540644,13149511.09293403,5598752.199351452,7783443.031146003,2106269.908566734,2297639.536528557,2417174.026343916,1147422.374770991,2462714.871410248,1511482.511789904,24026440.56615314,1096772.162693569,2466815.081751656,3070661.802275043,2774494.781493213,2081880.560715334,2011694.026565339,2022100.312977394,2737009.931999389,2286421.154544075,2203112.650179132,4367104.784328874,2146345.703895896,2139861.763269342,2145377.710370345,14352304.52785041,3155666.142023745,4069363.232233325,4694802.096138758,3534087.842434741,2612275.107839876,5969877.469427051,2670632.38263677,3520346.911993676,3639774.583078401,2657275.417678442,2088970.98521642,3107416.88611351,2131567.458094072,4032800.965328501,2381570.167171642,4453247.749785369,4525295.403533232,1905436.66303379,1823148.076896594,1313281.158150884,1038029.151961187,1725575.892562757,1949294.171068482,2100738.977241807,1685368.825208987,1652042.617754137,1507176.326630674,2725669.821158886,1040781.132762138,2373290.412677793]
["Com_6986_pos","Feruloyl Putrescine","--","C14 H20 N2 O3",264.14754,5.454,265.15479,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Coumaric acids and derivatives",227326.6214111359,1247267.967196848,4935037.191646456,5007415.421457178,469882.1290824646,5711363.489300433,2057998.43236724,410099.3370451119,3733433.22574212,6078929.289833437,6047848.595380877,26054945.50913744,427644.4486245448,211536.6012636512,234827.9314325934,973754.3231093218,7452557.8901,1769876.483469547,3627530.643505207,1207063.312282428,2922689.643758738,4500983.822215177,421149.8915673199,1619881.985135767,1301013.809749329,21598976.62364489,513125.0323454061,2141408.21707512,2938650.02977704,1365446.311650357,1364294.435122144,1017017.370079703,361908.4828141314,298734.2524790255,2286041.861789871,406283.2776369026,3478262.078941075,587785.1778267788,444628.805813727,2637918.686723193,12683119.32849648,4188159.102568924,689780.0463876035,6180103.676644314,1034848.973701428,388229.0153695772,1064909.386721808,305918.9571646604,358713.6920686907,1253240.020559975,349768.9603985354,258864.5273808374,5001489.226890711,189685.8145132847,395743.3273804419,274891.2348051178,941767.192414105,492774.8551739835,1481518.70546686,1986266.93039968,1363405.302605079,1705613.33943226,1438491.514324739,1600251.735679507,1399715.800781118,1458653.9076885,1282838.962914125,1433553.757979368,1972254.673149286,1772951.251406357,1701112.964890787]
["Com_7405_pos","N-Carbamyl-L-glutamicacid","--","C6 H10 N2 O5",190.05889,1.32,191.06616,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Diphenylmethanes","Diphenylmethanes",10724514.09263804,13062386.19141477,11374992.19574331,11698698.61538761,11402453.07548934,5727218.434530017,16077055.92650298,15098359.07225292,11369987.92877532,16397618.9631139,2989292.275697678,2345651.604114336,10418034.82945735,13803332.82622872,11362686.22996886,19031486.8850612,4371218.217048894,12777120.83412245,7756328.936675778,14299485.18428558,13589261.30739834,9185240.05968696,8413826.855799109,28322906.7117171,8017508.036881017,3016934.196262792,11861208.61440486,7211357.605231659,7868457.123364898,14797993.66149143,12694398.24353656,11872769.05646157,12646719.29832362,13154863.14524996,11923180.09608042,14123356.7734655,15360441.29309634,16001172.19171921,14486718.73166656,5122548.196765334,3137485.079358781,6142068.840814521,12759540.29032365,7302686.662631132,12644294.59399445,13872612.19411829,11662999.73646172,14274392.06217418,13493754.37740046,11709850.68967486,10152326.31589959,12708801.15567423,10714401.50418922,11912302.11350908,14211269.71613515,10426605.53619818,13336539.76794486,12545388.29710547,11542417.6252199,7650806.863424553,9320998.027644388,9432431.843233507,9057626.248456014,9329231.118654111,9976204.756307008,10922065.01172425,9311785.447760716,8389766.47741916,9671197.277401874,10939689.8392183,7921972.158753739]
["Com_8768_pos","2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside","--","C11 H20 O7",281.14729,1.245,282.15457,"--","--","--","--","--","--","--","--","--","--","Invalid mass","No results","No results",{"$nulls":4},3136684.82634285,3046453.458557197,12954148.46923951,5536816.810647937,3557193.834804488,12223820.85179247,2636217.310840628,3261589.044273862,4145953.344029014,1555242.619855529,13640583.86810746,18863738.64200831,2274110.653000217,3156098.629117241,2473499.276642378,2815470.70629715,13835766.81482366,3685822.600463207,2822389.370160236,2048796.360324957,2297422.846986919,6041448.654510686,2632715.516814718,1641925.741410827,2650594.439545613,12552841.15649647,2545225.174889992,5218491.769083374,3723330.356710881,2289744.235603395,2172886.811951344,3369098.492983446,2864343.576239066,3367213.234802502,1733059.0775079,3881304.042712064,1653373.127211651,3305811.766126373,3679311.37297146,2240917.128465779,21621905.15347708,6064076.292799308,2484179.811429997,13122252.18837943,2862953.649192237,4227116.852254521,3260162.852676112,3104140.364590557,3740726.087260447,3336585.734154277,3501795.566698886,3199727.011395104,3008605.862174861,3423484.912678048,3664350.221892827,3420001.73496306,3781269.519199186,3562100.030891255,2501730.12192394,2446827.83794081,2444720.488913956,2361185.624441576,2473841.458568426,2418293.133522955,2306472.527260932,2262957.68683048,2398300.417911289,2382250.304497189,2440335.32450643,2999025.905250707,2279193.355915417]
["Com_9765_pos","3-Methyladipic acid","--","C7 H12 O4",160.07374,5.439,161.08109,"--","--","HMDB0000555","--","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","--","--","--","No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",650951.6383339835,711812.9927323649,1707803.767643104,1387553.150925846,1044597.452403733,4522904.37919381,1428561.87619218,1796367.26412574,1151623.022388918,1512188.321734184,4778758.991648552,4589400.222076236,948801.2530863556,872861.3927053169,460142.3665495843,1526112.141129374,5868490.844617994,3030203.101488185,3605677.611971244,1468183.320960593,2116210.100240538,1371088.666659786,684390.0153532173,1972614.216982746,1015486.238598484,12755508.88391188,620755.3299711284,1569963.562688538,1682999.531242831,1575994.650903045,1440615.531369141,1594508.08958706,1374745.363254767,1578582.132346156,2155154.040194804,1782390.49180389,1840301.666129168,1536576.625226117,1968000.746202595,2217401.119915855,4526596.194978382,3047668.903783696,634946.8252643268,3156531.843604732,1773849.680024896,650152.0745017404,2527984.755297595,1371015.908151459,1458273.111534088,512652.5318385686,563049.911156264,1345414.163156341,2024825.62661741,1191957.576494132,2702458.160207173,726760.5979099957,2094487.361299938,2429512.013384931,1775757.68438582,1662618.083755786,1636968.978702095,1695719.883979363,1643564.393719218,1744893.622443262,1400587.243242574,1401645.563524649,1470929.925093831,1943381.941352945,1610414.921535903,1828930.784756339,1836911.50004276]
["Com_10842_pos","LPE 22:5","--","C27 H46 N O7 P",527.30017,9.121,528.30731,"--","--","--","LMGP02050070","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",3131595.881540009,942063.4770922348,873651.9262275635,218106.4965610679,1706760.768078661,40246.28265148976,3070243.137856925,4582960.216507457,951694.1452303522,1143371.90397564,246266.4702496227,542712.5476851779,2705817.299784869,1075267.879656541,865371.69100895,2681356.713162463,240797.0017200265,1016679.208981276,1144649.492464704,1746662.241499648,2169559.582270765,664224.5815758577,1239805.458139727,1240806.895014904,838496.3366570448,234311.6582345271,543569.7531864158,222913.8720417349,463770.8659729517,1223934.36027796,1198555.111180129,1590407.428481842,4468313.633522974,5958914.309389216,953469.630929857,1897336.433151684,1100442.476778145,1859456.330678653,1482827.18657846,154309.6174709958,456926.7011236086,579262.553457281,3039031.719181401,1727248.79493627,1687457.82016813,1694726.95867011,5508065.518815646,4327764.715885481,3217202.938488393,3248884.915565274,2622708.602321054,1330872.745765821,1653374.970290405,1264880.67082713,2003209.78574324,2380007.09518464,1310724.44795142,9268423.721597765,4976830.02104185,4971015.465157427,3234459.801419203,5211776.931357531,3483030.077443005,4074659.84606956,4492682.925572298,3543089.988688956,3548471.232229735,4007806.866660021,4212786.823288023,4331865.502057651,3313816.834705231]
["Com_11124_pos","LPE 22:4","--","C27 H48 N O7 P",529.31633,9.598,530.32355,"--","--","--","LMGP02050057","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",15481387.42186979,3224428.235925732,2856776.158021966,559644.3320748295,5832886.894232022,939548.5316128964,9378585.556173837,18005891.76043619,3561738.965445871,6054088.368516603,983089.7296449854,1043800.015505129,9415121.975168351,6220901.60203217,5744185.761680141,6479675.638814217,1078958.277874359,7495400.419432568,5503624.323647223,10773643.8572896,6751485.185424186,1412742.94305385,2132851.277612908,3873496.404361884,908586.016636004,1106168.313293636,2227111.566574874,590018.3559836714,2643169.52774698,4981569.093833571,4280453.383226369,4642647.017386109,9213230.48802005,10370414.83696918,3231022.423856776,8833416.112380521,5580028.358261342,2869466.187829638,6585701.747301211,938967.4567410548,1563059.719329273,3123383.309222385,7888469.883040012,5152720.873521208,8094024.604985126,5989138.764308214,14328822.75919748,6776648.104405968,10567538.05494203,13517521.07251361,6848828.376335988,6015014.645083265,5493939.608832872,7921050.008481313,11545681.7135385,8270887.43313426,5104082.02626745,32129092.96995028,4503031.99102339,5423377.793950865,4810100.337389663,4266934.250557764,4013953.346979813,4671688.717952686,4486022.100132987,3256470.956116965,2971364.115305234,3575404.183403709,5922910.500589948,3069955.578046345,2539036.106897048]
["Com_12243_pos","LPE 15:0","--","C20 H42 N O7 P",439.26945,8.692,440.27673,"--","--","--","LMGP02050074","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",625807.5803193608,885705.2718806111,6783432.084490544,451139.5345881143,739801.4100519731,267523.7980636046,5269511.654293727,65533.8808427472,2099671.095286639,2757546.914679862,913534.151984602,121668.8175693922,36712.80514987015,61087.91275718025,101050.0705031512,943515.542429212,69653.01928882414,879868.0738147118,3090902.069777596,5889130.390406667,4419690.285192457,8998512.299881382,42912.52770036225,7561598.449466957,137122.421691886,1026122.971814897,43493.39529763503,3479419.234568459,3365314.237989729,3068718.131357634,3997362.076839654,581792.2534426099,268365.3031297659,66887.88963456849,5236973.783539052,180583.6790156665,5451556.349159356,354777.8567227274,605561.9234623563,3133870.501650912,1561832.183646719,669092.0299814503,57280.31528798556,6839667.340506353,3006390.873095745,226139.2808141591,314507.3295394517,1831920.533791725,55235.29738911564,4633851.700076014,373124.1929497611,34642.55380614016,2643746.488176448,29959.54992757668,290227.5998684971,373358.7649555617,1814277.008059504,74106.42386967411,2179711.95181414,2237757.963263173,2020988.17245098,1476778.296311203,1508925.313169025,1269246.275149244,1075887.479678894,1256536.868849032,1130580.931842641,1021854.145959005,1119216.770313554,1101807.1316196,1137717.779327159]
["Com_14482_pos","LPC 15:0","--","C23 H48 N O7 P",481.31625,8.823,482.32346,"--","--","--","LMGP01050016","--","--","--","Glycerophospholipids [GP]","Glycerophosphocholines [GP01]","Monoacylglycerophosphocholines [GP0105]","No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",5772190.660441762,670887.9416702717,3455026.08113339,521397.5789484441,9287765.218668915,298396.4129194515,9401351.844060484,8604954.236305607,3314883.328258489,1932602.751020891,1613772.956716367,676882.4450701912,5234664.346386544,2457428.928929997,4994423.746266745,2856317.77060743,285297.7128259974,2465431.706360277,6285993.218110483,8034934.135077127,1772508.190768704,5935033.493437832,399148.1981981464,5484672.573457513,733617.5501723695,2055167.968396377,285696.4717561897,2077491.445725712,1303866.794133606,1345183.237974954,1391784.451464323,3094390.770489953,3154126.819226497,2871683.843903347,1684778.710354645,943123.8390789796,531655.4143859902,2328237.155528732,9999443.660140663,1201215.388174353,1545595.416757279,1132641.913709332,3348690.334728118,3451020.937943028,3277873.036452376,4214747.204109855,3762635.151789025,5571691.377118274,4180827.410283509,4208053.354035573,2407155.944997353,5743954.540736295,2756240.832706881,2382948.931517163,7154965.526741337,8990043.798000446,6495744.931441125,14498862.31352517,2668778.96896158,2260169.804350438,1892162.250829325,1979236.028094476,1878498.846796477,2223076.30380024,1814086.235649557,1431674.674275594,1699074.780856549,1790217.666378275,1378008.722094824,1409077.302751203,1155104.108862744]
["Com_14721_pos","LPE 18:3","--","C23 H42 N O7 P",475.26916,8.495,476.27646,"--","--","--","LMGP02050043","--","--","--","Glycerophospholipids [GP]","Glycerophosphoethanolamines [GP02]","Monoacylglycerophosphoethanolamines [GP0205]","No results","Full match","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",197560.2794567088,57536.04850481032,63814.91777140319,41407.63049312959,110739.7326252925,84536.82457124464,180086.313848121,948964.778923644,85749.00902482202,636610.8186684933,100085.5976463019,50086.29543983466,1074970.6608644,100362.4047185737,284881.3697523208,135345.6225240592,193923.6985751745,36850.26344557746,145586.203611386,140410.9971693773,105138.9995692671,372809.0288060352,62900.53189450788,197098.2813149687,45157.63724736036,87636.05273736926,40069.12199752899,98557.90969601448,88298.42421206513,79381.60237143043,169946.8436221465,159701.5584592276,86795.3048935355,148113.4827069178,135514.428176124,55343.00218326068,218085.913029796,121407.263781083,373093.1309476359,89868.85771703566,64980.89172908629,53545.1561821568,110669.4126194044,72486.78719436716,140749.5349153254,119890.969816065,232899.640790321,185536.2614362633,244519.5084920192,192611.755092806,98807.56189991496,284628.5788851114,198166.253591166,57396.57301818665,176003.1208289336,121857.7214198596,112993.6076344026,534807.0377220664,1118540.25698587,1391246.482352341,1339657.196040227,1168975.798814953,823923.8272383397,1023482.833694645,777723.8495224017,1045933.60149226,1136857.058692273,768713.3298637954,1020657.100231892,811507.4474541431,825177.977995767]
["Com_15535_pos","Ip7G","--","C16 H23 N5 O5",365.1686,1.393,366.17587,"--","--","--","--","--","--","--","--","--","--","No results","No results","Full match",{"$nulls":4},2188370.668525858,1939491.520264148,2946471.365799637,1554322.840750218,2315272.685085553,3541442.076180809,2030330.988358442,2901797.545088721,1990695.47255548,1789465.355241909,5672367.871668297,6185604.169622089,1335490.220541961,1958428.258555505,1739226.123769635,2041634.915205512,5110758.405097109,1981774.980043982,1789156.822265735,2895056.61560415,4742478.556326714,2837270.438678028,1314351.228205582,3425644.320845678,2818868.14982223,3627256.072666816,1519718.470100856,3000542.573216951,2781612.526750158,4456018.785591865,2806168.94493088,2575709.954940093,2176484.735342212,2033133.931686589,2599555.988714939,2024987.836768047,3480039.776612382,1643873.988958953,2250360.951733585,4978158.509693577,3981143.321769667,2119096.585178063,1910155.510670255,1945910.958269748,1844708.896929002,3008031.149929223,2150116.655024947,2709258.961965125,2574673.796131852,2134013.618215218,2436541.175136601,2299648.059300706,1823990.791857053,2552241.237919116,2468443.481636448,2387156.296589925,2156415.860559639,3150740.139801269,1251790.25873214,1277213.863668442,1315449.604143561,1319226.022632662,1576221.806900038,1466240.350432001,1627241.356862654,1257028.672584412,1391167.986895702,1265653.246849507,1428855.001467809,1285817.978406756,1384267.810330056]
["Com_18262_pos","3-Methoxytyramine","3-Methoxytyramine","C9 H13 N O2",167.09467,5.221,168.10191,"cpd:C05587","map00350  Tyrosine metabolism;map01100  Metabolic pathways;map04728  Dopaminergic synapse","HMDB0000022","--","Benzenoids","Phenols","Methoxyphenols","--","--","--","No results","No results","Full match","Benzenoids","Phenols","Methoxyphenols","Methoxyphenols",559840.4204719514,705279.6204031169,1102756.463337112,802708.0909864823,433609.7905734172,1490787.353381368,641139.315766959,666130.4790232136,585996.400343833,445337.473415956,1285838.973488574,1037610.141679612,261282.2841667693,292966.0406786869,380029.2543159672,707797.2361737537,1231479.202309609,262167.0490897946,981703.3633955588,779371.2848625657,1199629.046610334,1123118.068911753,341237.3861002416,997160.2488164736,432336.7801200553,1019469.034425579,345042.4855745263,1602068.689306349,814472.2890803609,870869.8965760604,630742.9645604882,553938.1125977052,377880.2003235342,676214.0108730723,1409001.264676726,696071.8441092821,896592.9281735911,553693.0593527622,723767.8041152623,1280473.879376936,1622952.941023659,858762.4021581004,529050.6384690071,1129020.422999399,592073.0381141285,660479.1223579106,902115.0315449402,552924.9069776564,671877.4984745489,697958.0938589813,595814.0360356572,529663.7851296967,415649.5416707292,368580.431700052,679183.2635946987,712463.9886201458,486383.543567058,910632.8495182928,1004453.71880103,1130231.551125079,1064310.870371781,1268514.938300202,1361519.247204565,1104723.220440174,1099926.45183566,1207090.855382593,1327534.627194938,1192677.968253663,1212320.462564545,1071049.648890485,1100562.686614958]