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{"sheet":"Supplementary table S1","index":0,"n_rows":625,"n_cols":34,"rows_kept":625,"merged":[[1,0,1,33]]}
[]
["Supplementary table S1 Cationic differential metabolites identified by metabolomics of Niangniang tea"]
["ID","Name","Formula","Molecular Weight","RT [min]","m/z","mzCloud_Results","mzVault_Results","MassList_Results","Class_I","Class_II","Class_III","Class_IV","CK-1","CK-2","CK-3","2h-1","2h-2","2h-3","4h-1","4h-2","4h-3","6h-1","6h-2","6h-3","8h-1","8h-2","8h-3","10h-1","10h-2","10h-3","pos_QC1","pos_QC2","pos_QC3"]
["Com_1_pos","Caffeine","C8 H10 N4 O2",194.08043,5.338,195.0877,"Full match","Full match","No results","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",133087622758.2648,131578210544.6039,135390086595.3728,139354574452.1159,137918457926.9671,139706948271.3519,122950738598.2512,121817329025.4836,118273104579.0284,143531727878.8217,133029161559.86,137283028238.6845,124193497846.3885,120019131372.9307,133588722860.1463,138396171263.1627,125077478188.7382,128179368285.1847,134307941132.963,130081668425.8046,134804307381.6368]
["Com_37_pos","4-Hydroxybenzaldehyde","C7 H6 O2",122.03723,5.286,123.0445,"Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Hydroxybenzaldehydes",4829386134.727982,4698820502.037607,4953362934.997979,4671664553.120812,5026290411.824798,5113529056.894632,4462967991.36765,4374405184.825881,3803242068.260838,5408313199.247156,4665096849.225986,5209683284.843838,4714421903.665802,4548927207.80153,4690452595.778122,5001776313.582695,4613819723.180309,4821667051.358937,4460807575.70642,4746701631.432278,4871087331.400486]
["Com_60_pos","Betaine","C5 H11 N O2",117.07945,1.312,118.08674,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",2348635411.219837,2379876134.817301,2539321582.145619,2365975490.515004,2332093729.072672,2376940719.361443,2588332717.215075,2584349926.100399,2533648837.635413,2185192190.999386,2145908091.848093,2246224900.123627,2468471430.371597,2397931043.873682,2364305726.730069,2026185526.716165,1956993571.954803,2019180895.929104,2370262485.82474,2326812625.444649,2227337080.63417]
["Com_61_pos","L-Pyroglutamic acid","C5 H7 N O3",129.04302,2.151,130.0503,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",1214188778.34662,1318033962.517236,1312088578.982952,2034239478.822644,2132513591.622653,2136985052.455383,2210899687.111357,2400055792.802154,2553706483.972132,1572220173.835173,1569092220.414752,1593088968.591803,1716525504.661252,1655551747.931134,1640603360.079285,1413969943.512878,1443616836.348803,1364893007.16521,1716269690.81431,1859705638.962176,1635921962.501039]
["Com_72_pos","Trifolin","C21 H20 O11",448.10121,5.574,449.10849,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",2096772011.088295,2140429747.300416,2222335935.467137,1633962594.052769,1634825328.238117,1622278268.954589,1819698464.50289,1912673242.793273,1800793539.989976,76204680.1319754,1660747882.39896,1614039215.666093,1619533918.242608,1523414821.423219,1636066686.689273,1320682070.29665,1384422060.807248,1314384479.665956,1773744783.03952,1682813498.875744,1510644934.995087]
["Com_80_pos","2-Hydroxycinnamic acid","C9 H8 O3",164.04777,2.476,182.0816,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",1211411270.499693,1019266297.171158,1161802813.739122,1402636764.151284,1561250031.170977,1378122835.273077,1805052342.129031,1965605591.313037,1696158141.439451,1700582815.073886,1657707730.088118,1799360936.872977,2020832113.365078,2037728854.265725,1974787691.284365,2186594583.957014,1898021506.807202,2018549824.372349,1772575503.53913,1709622333.97105,1728557276.752813]
["Com_89_pos","5'-S-Methyl-5'-thioadenosine","C11 H15 N5 O3 S",297.09002,5.161,298.0973,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","5'-deoxy-5'-thionucleosides",1183718823.295457,1195537066.932786,710117339.5872804,1306128889.434064,1273720523.066435,1257630131.71235,1231657065.022583,1398834207.512109,1192534804.199335,1323336213.914107,1694319457.049022,1289533968.565401,1277539727.347135,1295900910.426122,1324231405.093458,1773986122.670708,1805701935.962715,1976190082.138111,1397553433.33956,1361353296.672603,1275006276.809731]
["Com_91_pos","D-(+)-Proline","C5 H9 N O2",115.06382,1.391,116.07108,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",959738841.7768884,972484522.2453043,1028733066.800828,1206617892.509894,1173855965.488978,1216570327.638863,1377653889.514394,1404169273.551045,1369726265.669853,1484656398.754419,1431564859.842832,1523039771.550349,1750096366.507656,1766469119.308575,1754517357.309683,1929803610.011961,1910552810.270667,1907883927.897408,1448654317.35432,1469784176.91327,1424491740.05184]
["Com_106_pos","Valine","C5 H11 N O2",117.07946,1.714,118.08674,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Valine and derivatives",543482981.7412852,550392504.5574371,611732576.5192535,734842962.1323218,725920516.3808811,738268532.7505132,1082343059.169404,1002991494.209926,964512300.0789692,983737611.839348,957010455.8552532,1064534741.025047,1202956295.584892,1302116219.538683,1111063577.732686,1607018771.864957,1477356620.964346,1721743127.798384,1082909706.52983,1054405931.753322,906236040.4664712]
["Com_124_pos","Butein","C15 H12 O5",272.06893,5.287,273.07621,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Linear 1,3-diarylpropanoids","Chalcones and dihydrochalcones","2'-Hydroxychalcones",1284192074.806891,1237122671.870964,1313822075.251811,1401013952.661567,1352002005.144542,1339169177.729296,1201187423.443303,1085463415.649063,1103948212.408193,1393781475.719899,1289174718.459572,1394748343.430766,1225002987.623541,1210763895.815693,1274503608.613034,1291807446.806267,1219663930.243409,1314797279.135466,1275455693.17287,1264168676.564419,1288293737.676076]
["Com_142_pos","L-Glutamine","C5 H10 N2 O3",146.06948,1.267,147.07675,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",573150016.8416399,574218177.3684962,591246663.6145058,790676868.3950605,764847563.9103674,790330805.1266402,905854632.676762,922058019.5585968,911979350.893755,515096399.6444056,509918478.8445193,530111797.8653358,677435099.1736294,674808922.1020014,666355487.6521796,1171820752.226298,1161808805.047201,1209484265.867919,775552585.263796,770020654.2709283,728908298.513143]
["Com_146_pos","L(-)-Carnitine","C7 H15 N O3",161.10551,1.332,162.11279,"Full match","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Carnitines",1024481054.040483,1025637920.280965,1101265712.966445,816150750.4811702,804447272.0616696,815869151.9404346,842717347.700182,840944669.0170858,829319044.0091728,900146699.3518214,893843058.4638625,933004012.7328472,976748156.150199,924409669.0527066,911758616.9049312,919048555.6330146,890361772.1026678,912766483.1333008,917604737.657308,897198230.8996903,868293691.9299512]
["Com_199_pos","Asparagine","C4 H8 N2 O3",132.05392,1.257,133.06118,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Asparagine and derivatives",69247958.49440406,70553579.53375584,71931260.14557819,147454133.2969401,143762527.0674091,152647082.6164516,201832777.1289124,203168378.080819,199706382.1103496,273409322.9425313,274010567.1151797,278486572.0376236,319985495.5086005,325960971.3607346,319440885.4212174,792508009.8081778,784530923.5933187,801141128.3816977,295109368.958462,292304450.6208208,273309305.6177208]
["Com_215_pos","N,N-Bis(2-hydroxyethyl)formamide","C5 H11 N O3",133.07426,1.312,134.08154,"Full match","Full match","Full match",{"$nulls":4},662196600.7733717,672989803.1931679,698998635.7999301,684874279.7203695,677640134.5306041,686088198.4847909,592107435.2501687,579543494.7059245,579638719.0163711,563628673.641889,551735437.8158623,584445290.8816448,462536955.7953893,453220282.9001076,445185524.0734485,466896569.3073731,458116904.8005622,472533969.8972051,581054606.018454,570039901.5670478,550450102.3344015]
["Com_270_pos","Uracil","C4 H4 N2 O2",112.02783,2.204,113.03511,"Full match","Full match","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",468570710.7150522,505025218.7820655,500054808.0865446,460341573.8158561,402603969.4763659,471906739.8571855,456858950.2066404,484678850.2221401,496617197.0445413,474353784.5053694,457646231.0158926,463521294.7841125,409678919.8809577,432426490.8508469,414689181.5251873,422583531.9575673,420077619.1344881,413392513.6614359,442873493.029844,457148900.3255456,437909872.6539337]
["Com_297_pos","Diaminopimelic acid","C7 H14 N2 O4",190.0958,1.373,191.10308,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",356047683.6633224,359685179.5205414,378249933.5903868,433045956.4402058,427370529.2257108,425532423.0747522,380914087.8018744,363801535.3004143,370156423.2954716,377288085.531521,378853333.2708532,423460450.3687452,478928550.8385421,451179962.5727229,437443823.7202943,508947176.0924495,508048606.2381846,514875514.2615152,410875583.653973,413148342.1884602,396581989.9161506]
["Com_363_pos","Threonine","C4 H9 N O3",119.05874,1.286,120.06601,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","D-alpha-amino acids",234560617.6143823,241743794.1216518,250044114.4971328,306564649.5775581,302655285.0100744,311040952.0892763,324928076.5188374,324623718.4361556,322349425.5395429,314607217.0379021,310649326.3590257,321129964.6370793,362934050.3172656,364960495.7456282,362932211.8584139,403631970.8079506,393575393.6023213,409064918.8815537,324525721.907286,320325963.3455574,300084616.7100431]
["Com_434_pos","Esculetin","C9 H6 O4",178.02703,4.956,179.03431,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Hydroxycoumarins","6,7-dihydroxycoumarins",291873414.7900128,34213202.86157821,227430591.0151,223030299.2936718,192378672.6705852,46955668.10613401,49408076.06453472,197257226.8111475,179733254.5176983,172727507.7941482,76381851.75374065,175683409.0649425,43666108.72819277,184663320.9930079,162774247.4986544,152636163.9075458,74937949.49545676,150807909.4088561,184990069.751746,196337298.8491796,170128488.479463]
["Com_487_pos","DL-Lysine","C6 H14 N2 O2",146.10594,1.16,130.08673,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",105498710.8980046,102070039.911769,126272840.1180905,153183331.8681714,151039639.7302406,157262179.9114396,144538025.14269,173948415.9643824,153625741.1749128,198667046.6500576,189610345.9278014,205712179.332654,251102074.1901578,216244681.854975,229490337.993822,264024117.5143719,291687091.654943,240944913.1548816,148849126.851524,176102133.9289714,188087165.1056642]
["Com_549_pos","Pantothenic acid","C9 H17 N O5",219.11114,5.034,220.11845,"Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Secondary alcohols",220953789.4310922,221328011.7552695,220548839.59559,177052495.632394,171110022.2017842,156841205.8488695,209392148.8870624,208743907.0416457,197851980.9418166,191018360.2939688,194869500.2899685,193959103.8503958,196882778.7823197,185193726.3958944,189411802.6621149,220689823.185659,219066648.9714964,213751081.0703636,204651073.716482,204377318.3510099,194419753.8307495]
["Com_892_pos","Muramic acid","C9 H17 N O7",251.10084,1.302,234.09761,"Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Sugar acids and derivatives",92411906.84835598,95300796.11110556,101303215.8917522,100216091.3175611,96599681.9048854,100392764.4762363,139799487.7775389,136222115.5159571,137758715.3088981,133257143.2526333,130666469.3959109,137541701.1894268,94973258.79459175,92445388.96042374,95319013.7992568,63858702.44414981,61464703.1853119,61853801.51338786,105341057.172277,106246282.1982574,87167362.23278043]
["Com_951_pos","L-Histidine","C6 H9 N3 O2",155.06991,1.246,156.07718,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",13151743.47658586,52356525.14387083,58863481.08478119,77466842.26123796,76580034.48780528,80258105.00024974,72343987.91202672,75831151.74655136,72457835.68248977,28779153.41087386,91894312.87126264,98159119.50704156,112998525.1868428,105028146.2516766,35017462.30860964,130855116.4312675,134477962.4697149,130906984.5984561,86548724.9411267,85896985.4337576,83242463.12717609]
["Com_1464_pos","Epicatechin","C15 H14 O6",290.07947,4.784,291.08675,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Catechins",7307579.379911775,7348427.932941886,13153373.26543343,2959994.512192014,12593445.75746772,2731654.763780261,13432713.90401348,14346155.0666287,14317312.57893139,11040467.5342775,10836940.61455229,5957435.778182156,73542702.12657985,77108580.41400005,78645935.06890488,3556294.647183175,9487925.198958283,3743667.308617751,17887011.5698346,19982613.31796485,17663044.92309637]
["Com_1694_pos","Hypoxanthine","C5 H4 N4 O",136.03887,3.314,137.04615,"Full match","Full match","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Hypoxanthines",47732727.81918029,50990205.13588701,60201586.14862499,24761840.84219546,24267843.07262946,26934135.67294901,41529171.91676708,37989195.4467423,38760897.56596747,20800813.43770948,22645619.42090782,21610849.8116457,47799567.31516878,42990840.25457937,44561105.08408657,30132183.47120506,29399951.31761482,28563437.3491581,35380950.9530229,32495799.17803269,33265341.22289561]
["Com_2006_pos","N3,N4-Dimethyl-L-arginine","C8 H18 N4 O2",202.14341,1.398,203.15069,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Arginine and derivatives",22551390.86616094,23036015.63526406,22954684.64951133,27641781.50306328,26478033.23488482,26791759.27357316,24816735.90533001,24743762.47731484,25613870.98958864,30826857.40011147,29937152.26853078,31308684.99123021,31073318.8296489,30718547.27311832,30590406.97077444,50257998.61804596,50308056.21647248,53005523.55653209,31123824.7585914,29844109.31767936,29330904.48526293]
["Com_2562_pos","Cytidine 5'-monophosphate (hydrate)","C9 H14 N3 O8 P",323.05202,1.409,306.04877,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside monophosphates",34010534.39035301,33258735.80266496,35319758.91695945,37130612.18015926,35528916.88121947,36461787.20641,28715591.68375486,29706287.51045012,27452739.21977108,29762293.33955372,29611280.27398292,29398399.96426531,33801684.42874448,31962659.44041223,31460867.45776062,25993119.6329152,27369487.14394614,27474344.22177043,30876626.6062717,31900220.5017603,29415479.47742059]
["Com_3439_pos","Nicotinamide adenine dinucleotide (NAD+)","C21 H27 N7 O14 P2",663.10892,1.421,664.11639,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","(5'-&gt;5')-dinucleotides","Not available","(5'-&gt;5')-dinucleotides",22273563.36842134,19119275.13671468,22039129.46232051,15986613.18031627,15633443.81660462,13723297.66879555,13539813.25915767,15141531.37195067,14122733.53058378,14401586.33953644,12880515.72562427,13023982.24032137,16508152.05025531,23592480.15600264,15870577.84485638,13860900.8744987,16769007.99500397,18525117.2851757,15980616.4179977,16906628.93999853,15703772.3573287]
["Com_4631_pos","Agmatine","C5 H14 N4",130.12228,1.167,131.12956,"Full match","Full match","Full match","Organic nitrogen compounds","Organonitrogen compounds","Guanidines","Guanidines",2193604.198182218,2279269.557748593,2279938.131767225,4463171.222632483,4632800.086030126,4731936.283954673,1687075.892921642,1949729.000759498,1605093.917300476,2274256.901019962,2343337.635459398,2510310.040438212,9501907.301760586,7908159.405310153,7544351.312235714,16068977.7911015,15161810.01891738,13839414.07285048,4811151.22021379,4808636.906343945,4812250.384483789]
["Com_5754_pos","2'-O-Methylguanosine","C11 H15 N5 O5",297.108,4.816,298.11528,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",5932671.425087134,5024709.962931412,6384711.346671708,5685145.456141158,8030400.26990204,4459841.907170123,7419843.807178551,2647569.329609982,4575929.128537005,8657647.135181557,5973613.746488661,6034710.932431515,5055823.980612298,6415517.052620617,5430725.439371392,8150821.959350106,6518474.12594306,8260532.234106607,10927024.2796826,6160385.677866531,5948543.209617987]
["Com_5964_pos","L-Ergothioneine","C9 H15 N3 O2 S",229.0889,1.404,230.09618,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",9397443.524546064,9107228.830150386,9356954.246073855,5613286.434803768,4520945.117742305,3541023.114194279,6676421.74919712,7165472.960621917,6448678.32513436,544154.3732104244,642311.667158757,634644.5464120276,3226029.75743048,5951337.926421515,2389937.302001434,1075097.579367499,1106740.168562419,7217696.069359898,5606183.99440432,5211038.832581552,6376091.812270259]
["Com_10_pos","(-)-Epigallocatechin","C15 H14 O7",306.07418,5.052,307.08142,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Epigallocatechins",14267678912.67531,14180859821.50846,14630114205.00883,14584307345.91768,14400091186.34838,13899823478.03055,12679707658.35499,13247374219.42907,12500833766.93731,12653740991.58364,12640420155.96798,12506518157.39227,12026939889.28019,11579817152.46475,12145863388.72129,10852891287.89094,11017331467.74115,10909007262.52639,12968226757.2968,12968662233.46607,11946417485.45919]
["Com_17_pos","L-Phenylalanine","C9 H11 N O2",165.07927,4.927,166.08655,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",3513762046.203359,3478866025.861212,3733669563.875656,4585214207.217163,4428145174.703617,4464887963.385931,5613300523.261374,5852423748.784439,5555643180.739828,6712054504.277098,6680740527.821983,6607413469.983959,8489041200.122546,8327836187.947336,7451272181.02857,8119224859.761331,10760341919.92269,11094438289.5299,6372465844.42286,5348764043.512002,6192418610.913058]
["Com_20_pos","Kaempferol","C15 H10 O6",286.04803,5.558,287.05531,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavonols",8892763887.695805,8958376504.327038,9379744737.078266,7682086239.518595,7766392327.319453,7320823736.08366,8162174224.681791,8286756927.519556,8137459041.62225,7805625360.51945,7466799971.663435,7681170386.207072,7526057630.974111,7170000771.563046,7744767750.384763,6667204954.652415,6782097803.375237,6799963414.19381,8013547085.04365,7727066512.949417,7278082343.333303]
["Com_24_pos","Quercetin","C15 H10 O7",302.04308,5.488,303.05035,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavonols",6653664318.522828,6900168476.007754,7456675514.55436,5783096949.355224,4241774783.870543,5493859516.671978,6211083543.487877,6060971616.221099,1834862579.157493,5438923163.642732,5337729756.304564,5543732166.1357,5531197814.626313,5203364650.900105,5463247112.294691,5052496236.962373,5022957192.928354,3904792977.159692,5818503371.61053,4320647699.995353,5387468923.202371]
["Com_48_pos","Adenosine","C10 H13 N5 O4",267.09699,3.064,268.10427,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",3303174751.205424,3280940188.527479,3406612401.104779,3203711402.437588,3073918840.678118,3394028058.179845,2399777971.605927,2323065765.46798,2478720715.627954,2303511098.050444,2314836056.787508,2726080129.319089,2474241584.762473,2397563174.543799,2676123146.618514,2326508451.005591,2335408679.362563,2239440364.110757,2679224969.42385,2802206703.482628,2444273036.948719]
["Com_67_pos","Pipecolic acid","C6 H11 N O2",129.07936,1.648,130.08664,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",1953690592.593524,2062522164.239304,2262316288.983357,1960600881.285824,2390655957.230143,2009768279.006524,2138654314.150491,2241748245.683522,2145058252.588262,2120477289.903132,2340457929.216515,2090753684.869306,2287538191.468813,2188486234.063288,2205789776.787462,1992537911.856267,2356955149.941652,2421202012.352816,1912196948.51047,2456104272.568028,2296732452.512612]
["Com_69_pos","Myricetin","C15 H10 O8",318.03807,5.368,319.04535,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavonols",2247554772.777513,2199458037.292935,2357233030.892031,2099165582.29133,2140496696.386968,1930333867.352253,2026668735.57044,1895632807.831283,1913393792.468216,2303779327.04858,2131980661.670452,2217826279.243396,1818143061.347873,1746268906.97298,1933221105.518736,1946370486.511462,1809733191.066241,2045059301.938585,2107380765.45836,2120098947.617485,2027585740.52073]
["Com_81_pos","L-Tyrosine","C9 H11 N O3",181.07431,2.471,182.08159,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",1211411270.499693,1019266297.171158,1161802813.739122,1402636764.151284,1561250031.170977,1378122835.273077,1805052342.129031,1965605591.313037,1696158141.439451,1700582815.073886,1657707730.088118,1799360936.872977,2020832113.365078,2037728854.265725,1974787691.284365,2186594583.957014,1898021506.807202,2018549824.372349,1772575503.53913,1709622333.97105,1728557276.752813]
["Com_123_pos","Quercetin-3β-D-glucoside","C21 H20 O12",464.09604,5.476,465.10325,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",1215895109.185696,1291238397.178032,1358711524.106448,1012045223.116942,1214653521.191861,983540916.2811892,971175330.9718008,1033055434.303053,1020064670.059478,977814068.0467174,1001147964.09949,982688411.1231968,929920390.8080162,858487353.663849,939616953.1990116,847029060.3867205,852823410.0320433,867873169.3303361,1057017684.88334,977786465.2570664,893718922.6631327]
["Com_203_pos","Coumarin","C9 H6 O2",146.03715,5.644,147.04443,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Not available","Coumarins and derivatives",670096806.27948,691514690.3531194,715292980.4906425,507619138.8388729,270688958.2832332,598299517.5853058,681043378.9913315,494532656.3185054,630285953.0942086,567507018.7234471,556680598.6272502,661969120.3609152,495359059.9748495,463407609.5339267,479695810.3221915,634081259.018208,490207409.1597436,500966345.1835258,557450445.533658,545045280.5125434,501072801.7712816]
["Com_262_pos","N-Acetylneuraminic acid","C11 H19 N O9",309.10625,1.342,310.11353,"Full match","Full match","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","N-acylneuraminic acids",408868381.0957341,422856731.152671,555682448.3634745,320156500.332643,318036282.7392014,335296979.1672375,438818078.238974,430935125.9007047,422380079.464946,365152161.237902,335994148.4573773,373804921.9806234,258351358.6582136,243058147.8374857,244923663.1978712,125562762.9523706,120804576.5883922,129266079.4291471,312645463.14744,314439128.8693162,321077729.2245081]
["Com_276_pos","L-Aspartic acid","C4 H7 N O4",133.03789,1.263,134.04517,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",386929523.6694255,376188206.1350308,399109213.7205293,470443367.3286012,456093088.3380984,467946547.0316939,519697463.4992189,540153554.6272056,528324671.3949678,523685796.3530219,518486945.909017,539865450.9292096,567171410.2639381,557198009.4470832,554401386.2477088,489667899.9179302,484433925.3427477,498328098.7950664,488881025.621818,482268080.0256792,463366834.426348]
["Com_386_pos","Robinin","C33 H40 O19",740.21625,5.385,741.22357,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-7-O-glycosides",282022012.3719836,304798467.5283667,297431503.1598622,324457910.2182709,344530404.0516232,343046730.875948,354310877.1156421,349241959.2336227,355886760.2428631,317442071.304996,280228717.141348,310523965.4593064,320414804.3651356,323147872.096035,326449593.6042423,254429870.0710448,245413219.5739075,276470476.0864563,318970679.241499,321858939.4022648,287806261.0244731]
["Com_618_pos","L-Saccharopine","C11 H20 N2 O6",276.13246,1.271,277.13978,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",41395795.48009175,42166457.30282837,45198932.3041776,64204586.80848999,65129864.7217971,64678616.97027885,93561376.47822054,91101490.48377465,94380807.451173,110781670.5942737,108899465.9167016,108260524.0573791,126346782.4508033,125340959.1373685,129815943.9087764,212367222.283491,211189246.4154949,215512865.8584951,103570386.328089,136598778.1428147,93590229.25581688]
["Com_957_pos","Naringenin","C15 H12 O5",272.06884,5.864,273.07611,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Flavanones",109694414.1729438,94254136.16048735,126186089.3687623,109435773.923829,78385820.87393875,94546169.21715096,103897275.6890997,92112708.72979829,111167537.3469453,87755532.5255658,91239446.11761996,90743130.85148616,77457168.16977923,74341786.95939152,82688628.09521486,93525773.78715236,79566479.569532,76661160.16241333,94168426.5509699,111432536.0764372,101374941.0107985]
["Com_1027_pos","2-Aminoadipic acid","C6 H11 N O4",161.06905,1.408,162.07641,"Full match","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",54429912.67434437,54899153.14810537,58147176.6902709,67250034.28063671,62761419.50277837,21777799.22747014,82286737.67372842,85954889.78344563,88991851.03472447,72397169.38992822,72108300.793274,73109962.6087057,85866162.65421447,91148993.30713038,89141393.86906996,122735519.3475292,123485384.2405132,121413815.952883,84095060.042722,79996713.72661084,75644093.29240777]
["Com_1089_pos","Adenosine 3'5'-cyclic monophosphate","C10 H12 N5 O6 P",329.05292,2.109,330.06019,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Cyclic purine nucleotides","3',5'-cyclic purine nucleotides",93675843.08651368,101486018.2687202,107570021.7111045,75877472.95188102,77339659.00970748,80623050.1195088,72889125.44781433,73674131.27650172,77246845.48917139,78705745.70230567,78605095.04057896,83435516.95650756,80780343.68232723,78748658.65273876,80035736.98357338,76043651.92133503,79403824.96401697,66688335.0071797,77657887.8453466,82779403.79801694,79988700.81524515]
["Com_1271_pos","Adenosine 5'-monophosphate","C10 H14 N5 O7 P",347.0632,1.592,348.07048,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside monophosphates",68590302.8010632,72544966.75180902,69401905.12739305,76603046.57743233,80934301.47406453,93771405.7528958,68839785.42512387,78952074.20333761,72945410.39662829,71270584.2895929,63876363.65085863,60665559.01191422,69041069.1383062,64273666.11865938,66123717.23867217,63398333.37248623,66295705.37200452,67638154.49405292,71743246.334164,66473492.54528898,63465918.41964854]
["Com_1497_pos","3'-Adenosine monophosphate (3'-AMP)","C10 H14 N5 O7 P",347.06322,1.959,348.0705,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Ribonucleoside 3'-phosphates","Not available","Ribonucleoside 3'-phosphates",64173981.31877678,66576392.9587695,68081354.41949922,52691633.96668634,59035430.07091661,56565920.81464653,61330674.82326269,64964547.46154433,63998841.09965757,57403653.92570188,58034451.38411761,54212326.80786536,58405125.1792501,57897667.60327591,63156024.34063029,40354669.75418294,38568815.18537788,35551793.02354101,58254277.4332945,55509029.10945303,49163387.81569018]
["Com_1520_pos","Apigenin","C15 H10 O5",270.0533,5.895,271.0606,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavones",57115297.32755545,62193575.7508673,62229421.3138563,61981739.60876714,59892840.34025984,60453692.8938039,60756088.97520713,59796893.37674687,62330157.0493165,47091006.0014924,44276883.86985076,44891324.52093089,69944255.81708561,50942393.08199721,48840216.94360668,73557881.75372699,55551187.57300521,52044548.42266414,56210676.5844121,52943470.2582633,52858823.06790733]
["Com_1537_pos","Isorhamnetin","C16 H12 O7",316.05912,5.564,317.06643,"Full match","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavonols",51525904.21011108,49003696.09251595,68403786.6465705,51924832.94826806,43921817.41298074,42320731.01813067,45988577.2569207,58238372.71076477,60150974.46087705,47780406.86230338,57871581.98049157,56325928.96398388,48163768.59958649,49388736.27799302,51385027.13898008,52728042.0670346,35653435.3670491,45796373.38176384,61147432.5873754,45578140.9673185,53357746.43771604]
["Com_1668_pos","Biopterin","C9 H11 N5 O3",237.08521,1.561,238.09246,"Full match","Full match","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","Biopterins and derivatives",16218028.40446182,58023008.23540482,57453185.65056088,39628622.81394643,42741327.0145034,42356231.62036449,51745390.94186529,55772858.92133331,55974476.5034796,46185545.5087975,44845764.90042126,46009958.78056864,50086665.1846667,49620231.31879607,51395704.37501349,53623641.08247917,52402552.38835669,53688787.02148788,47805091.6590452,51996055.33496718,47613802.02848044]
["Com_2810_pos","2'-O-Methyladenosine","C11 H15 N5 O4",281.11286,4.793,282.12014,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",16039856.89700652,17018461.42645552,16855992.32117463,17754098.24706006,16167790.15709909,14991912.84652734,18075678.21064452,18387872.6125898,19129459.14958067,21720376.29575184,20483714.7516402,22454949.28414775,24357268.83999129,25490826.83718222,25206939.70520896,32836958.94028186,33736391.84489079,32517612.55727036,23677687.6725916,22411286.53181438,20996090.46943541]
["Com_3149_pos","Cytidine","C9 H13 N3 O5",243.08586,1.618,244.09314,"Full match","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",18007089.93327173,19103029.49164827,18947072.55900067,27762691.15609822,22076308.08373761,23963538.70901597,20719888.71373419,22277388.46848554,21847201.07841386,24766223.53473683,22542771.88951228,21255612.01421927,20893303.49147234,22349452.68080573,20714712.43756523,23003141.71731011,24133873.81643669,28920553.06385891,22330171.0229799,23956313.25502658,22837791.63580293]
["Com_3_pos","Oleamide","C18 H35 N O",281.27193,9.787,304.2611,"Full match","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","Fatty amides",8943254246.07752,8711746080.687958,9605335653.464792,16621751278.94647,15790217708.20243,16508215669.55057,18559953147.15904,12621642128.73861,13106256217.86969,17908905428.70849,17302589842.80138,16179921503.92962,16348827922.29879,17882070110.61006,17382178918.4737,20994128549.36179,18546805394.27062,16487913425.95172,17551597269.065,19835622569.3589,22635236384.49638]
["Com_4_pos","4-Hydroxybenzoic acid","C7 H6 O3",116.04998,5.163,139.0392,"Invalid mass","Invalid mass","No results","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",21346351265.61193,21038529708.31353,17405089999.88861,17990436939.01052,17902499184.43199,17517079737.10716,15871084037.40757,15985030293.54721,15915554540.61381,17540658714.56788,16664369232.29605,11012292836.8371,18586522916.90998,20127235083.70073,16156772419.64677,13809828547.66369,14622260336.76014,15054446347.63015,16573298700.4052,16125290680.08141,15605692121.69999]
["Com_7_pos","DGDG O-8:0_2:0","C25 H46 O14",592.26868,10.476,593.27593,"No results","Invalid mass","No match",{"$nulls":4},17979827928.12201,19034805486.24326,20130552615.10809,15280647709.12755,16101783404.07473,15572558395.61617,17987155850.61382,16061536675.25143,16628276272.59286,17612561627.70943,16498695887.85512,18437106519.96614,16767303483.6696,22107473385.86727,16954215259.0516,15373407711.02709,15133059454.92009,14062190779.6462,17634464965.2399,21326169496.61557,19863426436.17478]
["Com_40_pos","Theobromine","C7 H8 N4 O2",180.06505,4.998,181.07233,"Full match","Invalid mass","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",4159795152.112526,4075304547.729581,4225948302.827692,3973832648.530743,3690934502.27155,3787963536.188191,3012814258.006938,2949985855.00647,2802964680.538089,3324516741.01411,3229655051.582624,3271882860.07701,2022851141.683377,1940883940.45242,1963338684.580724,1684446724.060602,1615228848.600237,1668007459.163822,2974648830.61643,2914826574.779773,2825474557.276038]
["Com_42_pos","Indole-3-acrylic acid","C11 H9 N O2",187.06373,5.198,188.07098,"Full match","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","Indoles",2336503440.343841,2415948515.030288,2360608233.595594,2820773699.44225,2677116410.678737,2654442578.119377,2397716950.853049,2495238979.989956,2396349384.299336,2904551381.409836,2935369850.643507,3809133488.026576,2737204107.462099,2715395790.344451,2806858846.078094,4253359650.80391,4116397451.0735,4526111922.80368,2883093295.31052,2790579122.239072,2700117244.264039]
["Com_59_pos","Stachydrine","C7 H13 N O2",143.09498,5.294,144.10226,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",1615067188.156507,1711801211.130075,1931677579.176964,1584278604.508876,1682908833.74455,1855934535.066065,2605924170.628792,785545345.0493628,2616960947.527413,2092567146.662852,533951495.553894,2216596128.872966,674726399.6444855,1906494886.979399,1997924732.280346,2270041188.795259,1075762195.681667,2293723627.923642,1691292154.26794,2287163408.035299,2181159983.090422]
["Com_63_pos","Oleoyl ethylamide","C20 H39 N O",309.3035,10.653,332.2927,"Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","N-acyl amines",153945346.1416364,187195571.5629472,205103333.4881216,1730586948.203575,1869832571.034922,1789433073.388079,1559889687.587777,805314722.5194825,846028177.7495288,1520305075.469809,1483510935.512892,1248971498.628609,1570156020.933044,1799770973.675832,1513030524.596457,2079745738.645524,1811898845.978439,1662275777.238311,1486967477.1564,1887079543.4629,2469969831.192315]
["Com_93_pos","Dipropylene glycol dimethyl ether","C8 H18 O3",162.12607,5.86,185.11529,"Full match","No results","No results",{"$nulls":4},1507382429.002016,1519144534.052943,1626664586.707156,1893804722.989162,1865189711.617144,1904336605.271037,1695545054.047981,1692491209.029652,1575919247.374946,1854867411.050605,1746452602.580208,1807762428.372209,1128121694.217564,1726208831.616455,1804547127.544052,1757676657.251502,1768807469.448085,1836251468.805885,1614197217.16088,1630045747.48482,1611025282.575027]
["Com_94_pos","2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid","C10 H18 O4",184.10811,5.887,185.11539,"Invalid mass","No results","No results",{"$nulls":4},615288584.2048119,752538740.2396197,769022858.7663336,952027951.6117404,1865189711.617144,1904336605.271037,810384904.2512616,825409828.7430211,767167292.0901319,1047684290.99191,1746452602.580208,988099162.17505,586130295.0917728,885331239.5278784,921598615.0578116,1757676657.251502,997294405.0244068,1076977061.42252,787558180.656884,876880813.2899992,762139875.0539796]
["Com_109_pos","MAG (18:3)","C21 H36 O4",352.26174,8.915,375.25095,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","Monoacylglycerols",1093320055.498738,1103265428.536271,1185589611.745357,433977429.8956547,476086790.3111544,561765997.4273722,1221413598.555921,1209714801.509339,1196930189.92656,1205350103.725358,1129617567.061932,1161886132.926498,1024140697.801263,1022944979.094923,1059581898.340137,1657575724.544605,1408862455.126684,1414675949.207924,1110349517.22987,1164122858.575334,1120481747.044693]
["Com_111_pos","Hexadecanamide","C16 H33 N O",255.2566,9.575,256.26385,"Full match","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","Fatty amides",314877017.9056839,395532230.5586851,361137186.4852413,765429283.4820576,784250669.0986503,768557162.1836537,936647152.2071376,506366197.454699,474323922.3399307,856587616.3986952,827315888.0800482,707247373.0422071,853055783.594581,976616286.1106544,796963146.6526861,798223983.1749766,826267804.1289182,769738530.019046,897179107.948752,1107567832.786789,1526941494.527887]
["Com_150_pos","LPC 18:2-SN1","C26 H50 N O7 P",519.33307,9.016,520.34037,"No results","Full match","Full match",{"$nulls":4},602788817.9499555,573988502.15757,647605875.1710317,749323599.3880005,713699259.2487054,710633662.4347832,948111865.9857012,881357473.7657181,878102522.7263478,762856321.4053667,740439222.39974,742723717.2452345,766815275.6997942,724042310.9603541,766532622.3674281,1122490143.187254,889620077.6409372,815452749.8034724,708002505.249239,768683496.5419486,742145033.756303]
["Com_156_pos","Monoolein","C21 H40 O4",356.29326,10.002,379.28248,"Full match","No results","Full match","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","1-monoacylglycerols",119711840.534091,119669975.994938,130846931.5578747,74453671.23543482,92345012.25134698,105827383.0494636,203975286.9829437,165174206.0713913,173908057.9465403,190459671.8233455,179805862.7140475,188306780.4518878,152525006.6419674,160519805.2834112,157307311.0549088,1030035493.962436,753086965.3465443,630267337.4489636,216845168.841753,255563948.0757807,249572171.6779266]
["Com_157_pos","2-Arachidonoyl glycerol","C23 H38 O4",378.27538,9.992,379.28265,"Full match","No results","No results","Lipids and lipid-like molecules","Endocannabinoids","Not available","Endocannabinoids",119711840.534091,119669975.994938,130846931.5578747,74453671.23543482,92345012.25134698,105827383.0494636,203975286.9829437,165174206.0713913,173908057.9465403,190459671.8233455,179805862.7140475,188306780.4518878,152525006.6419674,160519805.2834112,157307311.0549088,1030035493.962436,753086965.3465443,630267337.4489636,216845168.841753,255563948.0757807,249572171.6779266]
["Com_170_pos","LPC 18:3-SN1","C26 H48 N O7 P",517.31748,8.492,518.32476,"No results","Full match","Full match",{"$nulls":4},536851665.4313418,543151152.6596884,558688641.8758653,687171484.2399923,611849281.6173573,614988069.4453751,745214906.9502934,680127770.2762723,710161824.1202813,627498462.4072738,591279595.9065553,617014500.2867098,628527966.2564309,608194990.674206,632152123.3285842,898022643.2439406,766743949.9308568,735604424.6094458,618704093.656182,652876071.7950201,638708985.93244]
["Com_171_pos","1-Aminocyclohexanecarboxylic acid","C7 H13 N O2",143.09501,1.601,144.10229,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",526645319.2738807,594493691.3828486,606730889.1621732,491015988.4788588,506570737.0488153,516845970.6413428,546125220.5420315,574557128.1200548,569899162.8152325,600100665.7500464,542903824.0253254,624819466.0019552,382511812.6463472,580486818.0768259,562604971.3359777,522064807.6799186,897113236.1823281,564090690.906225,489353113.335939,558790153.7469201,554985285.1870052]
["Com_222_pos","Stearamide","C18 H37 N O",283.28793,10.463,306.27716,"Full match","No results","No results","Organic acids and derivatives","Carboximidic acids and derivatives","Carboximidic acids","Carboximidic acids",31326244.93647296,37414687.61665246,43610242.63739878,483007093.7958804,528342885.5145517,485740928.2435388,347307345.8788397,153848743.4148103,123969795.1500544,357461185.1059414,378665661.5374898,281637982.5031005,404077543.8144764,501743817.2309035,380792558.4911849,409932773.7899041,448987756.6058034,395335894.4480372,393873590.702325,538249247.9355155,689444247.7442502]
["Com_229_pos","DL-Arginine","C6 H14 N4 O2",157.08558,1.248,175.1194,"Invalid mass","Invalid mass","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Arginine and derivatives",281651090.0859467,276620654.74541,294961893.3882162,416389458.733354,417877673.4379909,416448514.8211743,369687782.2089701,373248995.3659925,362473858.9778161,455271682.2641879,466531153.8153691,487823416.434802,536278908.4504332,528616888.8548683,521114217.9212658,678101801.1117853,688947722.5385109,709598131.0483543,446151479.979572,456760335.3374242,427149625.2124077]
["Com_234_pos","Nicotinamide","C6 H6 N2 O",140.05914,1.957,123.05585,"Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Pyridines and derivatives","Pyridinecarboxylic acids and derivatives","Nicotinamides",564314114.2207056,602384037.7187027,609835864.6838078,630269283.2830082,689652774.3963184,663581797.3494135,587189879.0690233,616977400.2426639,590527781.3836472,585162004.4741853,586565953.4784166,592555754.1027954,556588315.5838664,587139081.3191099,596129869.9733295,410969133.671207,438412509.4316358,412391104.9991167,563631954.719979,547538970.0689229,513776834.6176651]
["Com_235_pos","Phosphocholine","C5 H14 N O4 P",183.06653,1.265,184.07379,"No results","Full match","No results","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Phosphocholines",374956527.0968137,373851676.2935437,302969271.1233022,453670923.4467492,449413400.0805394,455355907.5878057,492292294.6043237,483595909.7479186,376604018.0864859,551651953.5865151,561851657.4230818,568716934.716659,625579300.4313203,625628631.7248752,614531228.7659112,658887537.7087004,648358572.8628561,667627296.6321682,511032917.988598,487543710.5014151,477617588.8666095]
["Com_238_pos","TKK","C16 H33 N5 O5",375.25289,6.315,398.24214,"Invalid mass","No results","No results",{"$nulls":4},288306437.655955,284419957.499976,301778886.6027637,574261859.6340652,582031198.3727448,540094433.9295518,318340280.4273793,322333521.364712,296052808.2711583,666424459.258395,633766584.5808885,591169091.5253341,576368347.3423674,544135905.3235397,546908355.3386737,321270740.1435361,319534570.1208752,308845798.9190019,288324618.48259,283359626.0152845,262370602.4511023]
["Com_243_pos","Acetyl-N-formyl-5-methoxykynurenamine","C13 H16 N2 O4",264.11147,5.21,265.11875,"Full match","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",223175132.2314505,225683812.0050216,222708135.2766641,278092477.6233978,202217183.1294548,262562254.9396034,604648764.084223,629058288.803771,252882162.0114172,250808477.0879695,246248721.3713005,249702642.6120071,277648830.9727961,370151146.4308532,311011189.3795062,49719238.80359707,58246362.98398971,64394868.65016817,333646491.346825,321843183.7349511,287297878.2104833]
["Com_261_pos","TQH","C15 H24 N6 O6",402.18728,5.641,385.18399,"Invalid mass","No results","No results",{"$nulls":4},224379905.082876,274825625.0657235,259753584.8182524,205248894.4195485,618552593.0817666,226851681.1409858,267402194.929692,265444144.9021397,239175113.8695961,243230804.7407434,232979096.8844112,261442433.5722052,272021937.2613441,235461639.699409,254767220.370412,203166633.1861537,239748081.4021535,230544645.7979681,237190988.282553,274151362.7621329,190082315.2163296]
["Com_266_pos","Indole","C8 H7 N",117.05835,5.197,118.06563,"Full match","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","Indoles",293877983.6968116,313487239.0631288,311460672.7429428,348129321.4949191,348214065.6701918,339355021.3981246,356583059.3288131,352028715.3635305,358042347.1653597,370303170.0522106,365389864.1626331,398500378.7296097,392922141.1975642,366411721.3059129,394029970.8974248,537615290.4432173,516927383.3363989,582297032.5107545,384012739.826963,374182865.1060302,369301389.2885489]
["Com_269_pos","2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid","C22 H30 O3",324.20476,9.965,325.21204,"Invalid mass","No results","No results",{"$nulls":4},3166668.360702327,133929958.2308148,185465170.4111685,210037516.3381721,244611453.3919321,238315456.4011013,269708194.0595106,235368615.2762908,245377803.4087981,252225869.6171387,249348123.2091989,265041723.2582864,285549220.3656697,2110093.603403724,282871593.7503055,576377059.8719486,439667489.2711915,410991189.8962866,284850020.218829,328260940.351905,335409934.7050617]
["Com_298_pos","4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile","C8 H7 N5",173.06921,1.372,191.10303,"Invalid mass","No results","No results",{"$nulls":4},356047683.6633224,359685179.5205414,378249933.5903868,433045956.4402058,427370529.2257108,425532423.0747522,380914087.8018744,363801535.3004143,370156423.2954716,377288085.531521,378853333.2708532,423460450.3687452,478928550.8385421,451179962.5727229,437443823.7202943,508947176.0924495,508048606.2381846,514875514.2615152,410875583.653973,413148342.1884602,396581989.9161506]
["Com_314_pos","Chlorogenic acid","C16 H18 O9",376.07747,5.211,377.08475,"Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Quinic acids and derivatives",334151728.7651429,325865425.2789585,341529546.9927606,453278416.6704763,443395881.3514051,496190319.4404572,287708750.0881379,304611255.3281792,286075917.5590522,316894889.2861849,312000162.2502058,327356166.2373196,398627518.9320667,396577672.4715333,428124988.5848184,343170440.9796216,334083937.0252177,344203955.4169963,330906134.841361,327969664.5033724,321333305.0413158]
["Com_328_pos","1-Monopalmitin","C19 H38 O4",330.27716,9.772,353.26639,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","1-monoacylglycerols",147728016.0261065,132239385.7537147,144876796.2601435,108746174.0618352,111546723.0600343,132453630.9481866,223806758.7892776,206987435.3759558,229283244.289915,185732717.1916408,177883020.5827146,193572051.3817709,184377961.2345804,185188077.4347121,210478907.1202652,463277452.5569372,341605815.2482648,276220403.7618385,203048519.375718,205393822.4042423,191448951.5031937]
["Com_341_pos","LPC 16:0-SN1","C24 H50 N O7 P",495.33317,9.386,518.32245,"No results","Full match","Full match",{"$nulls":4},157954739.9261141,166650367.5363561,161954414.1600661,196337911.6085596,203412691.9456128,202689146.4893673,352619294.6215475,296727085.5366511,295365814.7470272,271269799.9303632,254811403.0776173,266853950.98776,226727179.7613825,244285366.5941613,244072283.4868433,443023617.0683786,333532243.9592555,279973705.5592877,224248798.387376,205332052.2252176,246797757.0981175]
["Com_346_pos","DL-Stachydrine","C7 H13 N O2",143.09497,1.413,144.10224,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",291727045.6877767,294194691.4716755,332985609.9062362,361540606.2468724,348062056.9148257,331151435.9534088,326951640.770784,358647798.9856855,358838368.6144797,378566581.2920658,386441912.0545968,363703384.5502039,377801560.884625,386571711.9268744,405094660.6844499,374745748.9775332,367561562.9137534,377981184.6245037,282447959.511909,375741350.6094247,395536390.0538577]
["Com_347_pos","Coniferin","C16 H22 O8",342.13215,5.136,365.12138,"Full match","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Phenolic glycosides",308202112.7834027,320939297.301345,306083377.8416024,350054892.5004775,379846720.3482252,363008399.7281994,251859855.1188791,267412331.5395981,269968743.0836818,287457095.7171537,266751306.3564746,281606229.5698744,283869821.5334736,280060890.416352,53618740.06423813,421590978.3403652,395161283.8413991,429506593.7825888,293579986.457198,306991690.1572687,302108860.7636392]
["Com_354_pos","Heroin-d3","C21 H20 [2]H3 N O5",372.17655,5.469,373.18383,"Full match","No results","No results",{"$nulls":4},331146241.6653169,357982165.2198175,391250316.6574866,402169479.9205946,392018996.9196476,362194472.7439721,311148372.5851889,336981174.2739637,320156713.0771122,365419785.7000492,358583028.800135,372400169.8325921,305527900.2922176,297914335.2622122,315640785.4016016,401011907.9280638,374230853.0452065,420108085.4846928,371680210.556393,342603388.3761455,308451557.6104665]
["Com_366_pos","Quercitrin","C21 H20 O11",205.07266,5.231,449.10807,"Invalid mass","Invalid mass","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",325260249.4974629,327272787.7226529,350710021.2833722,271258403.58693,269418867.4261635,257139384.7203988,132522975.135689,138238051.5090625,274509407.8461509,259797986.9589519,257322241.696531,251345043.3048448,118680167.9308924,259572572.8395047,277028774.2870797,221277373.7629053,227956449.7728159,222392386.7681316,269971045.528428,271134607.672366,369772966.0681785]
["Com_371_pos","Allantoin","C4 H6 N4 O3",158.04331,1.115,159.05059,"No results","No results","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazoles",344560954.7469889,338333411.8932497,346299212.099151,302238702.726037,324188730.2482338,305031771.654863,361631829.9158806,381028871.6287922,333369421.0191297,314654090.450034,329502268.6201356,325074339.0207081,329538926.1501743,319199747.3357775,342034488.9541464,351166772.310043,353962114.4602732,355910197.5599177,360548732.841557,327219887.4149494,364473821.6170469]
["Com_377_pos","3-methyl-5-oxo-5-(4-toluidino)pentanoic acid","C13 H17 N O3",257.10327,1.281,258.11056,"Invalid mass","No match","No results",{"$nulls":4},315611574.724259,323368044.5521491,331439284.5928038,305980213.6622584,306383348.5382158,310179804.2819943,264465254.6493763,257278905.2002609,258001240.1119268,213563552.7726688,202288265.5892403,219386531.2493758,310475115.5699275,298835703.9215011,316507687.3496281,371007458.1102887,362186406.0641019,389772330.1944786,292183516.722074,292039948.5951681,276480572.1634408]
["Com_409_pos","Reserpine","C33 H40 N2 O9",608.26365,9.845,609.27094,"Invalid mass","No results","No results","Alkaloids and derivatives","Yohimbine alkaloids","Not available","Yohimbine alkaloids",195958463.3435836,197309769.6438724,209824559.3386915,228403695.4441348,222582785.9013613,225046629.9523037,210093418.5226004,185576105.0827729,195492961.3576724,261134714.0724253,223811845.1168873,308103380.3664221,188760957.1936445,314106907.1957271,195023762.9220477,180215569.2318492,169673609.6592063,146178415.1578623,246634928.469086,326735054.8548293,325970098.5637944]
["Com_414_pos","2-Hydroxyphenylalanine","C9 H11 N O3",181.07417,4.985,182.08144,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",33398730.05258362,41786783.72497936,35156493.99861215,27447718.21728864,25564506.56372987,15668487.23344375,337745347.045202,334698100.1086901,320360848.953183,30431535.54999174,28104789.33225719,47597571.14164224,159968399.9544154,152298484.2490375,153218110.8716048,21110676.7694551,22203915.018506,20905455.62773571,107867348.42455,75337887.77338445,101730517.2917641]
["Com_466_pos","4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-diphenylbut-2-ene-1,4-dione","C24 H18 O4",370.12469,5.729,371.13197,"Invalid mass","No results","No match",{"$nulls":4},270570237.1685198,261864526.3741541,289872227.5973204,170099889.2967342,168828980.1617562,176476649.565466,210684633.6641443,218932022.1954951,222380700.3418272,183371858.7070569,186183136.7827447,186164417.8442801,220054225.9915956,206533453.1160747,211560805.169558,259758816.3059505,244447179.3025639,247641103.380212,228080477.278808,220556230.083113,210283221.1903434]
["Com_478_pos","Kinetin","C10 H9 N5 O",237.06415,2.028,238.07142,"Invalid mass","No results","No results","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","6-alkylaminopurines",251548930.8848774,261735994.741253,274887919.3318927,216623818.3261411,219433077.857729,210885611.0060281,288780747.6833833,290164409.2261634,283735155.4311952,203325664.8695957,198999242.0312458,201664102.6263385,157116265.9628774,166371371.2869864,171058651.0970776,101113002.4044981,106815953.9803276,89491543.8602571,201250584.624657,205891780.0340662,196450655.0879808]
["Com_497_pos","PC O-18:2","C26 H50 N O7 P",519.33322,8.796,520.34053,"No results","Full match","Full match",{"$nulls":4},170329748.3200618,162444332.1097002,181602555.3251185,170519318.7537448,172854663.5062402,175446603.2335312,223365456.2040578,197578450.0195426,200301435.8160172,203531721.4632843,194856308.1665373,209962246.5377802,147063322.7589325,150976680.3412751,149909323.9860032,283084510.215106,241390251.2424505,217169498.5749158,167100431.73018,189934608.8637606,186778671.9399659]
["Com_498_pos","p-Aminocinnamic acid","C9 H9 N O2",163.06364,2.024,164.07091,"No results","No results","Full match","Benzenoids","Phenol esters","Not available","Phenol esters",182906816.8883874,194177676.9710598,144602294.1084731,199544664.3249359,152688904.7975916,166619029.5824041,43037114.04772008,193068957.3123655,129674196.2884929,36951566.29616272,34932163.15741843,41059873.80540232,156919929.5166551,249336282.9311165,250469184.8339058,235617606.7891875,282355887.7632811,242156646.4945486,254598701.505451,190578007.5169661,145439267.5362343]
["Com_523_pos","Myristoleic Acid","C14 H26 O2",226.19393,6.98,249.18316,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",88671495.58509643,91138343.8749161,97724690.16566978,46393773.35919785,47099032.79635096,26629241.92805175,28889503.95549357,28450333.40369976,27686394.29538546,125000295.1553503,122098809.7393857,74541613.78171483,51163701.42824981,50387489.77456132,119917684.4033484,265041837.9471217,163339836.7140803,266685579.9154288,112271810.508356,112986448.1904027,108568626.5899514]
["Com_534_pos","Roseoside","C19 H30 O8",386.19229,6.115,369.18899,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides",223804436.6262349,228246251.5317796,172036433.443203,207192326.5042668,141683955.757869,193910692.6713494,127014054.526763,117623663.2972269,132307188.7533256,117497309.9357775,124519857.0743765,122537706.9235419,112488479.6210728,102343448.1304622,103481055.9507998,107284547.7245922,102672225.548515,99015899.37027249,134682842.431315,127192184.6718828,114850096.4624892]
["Com_542_pos","6-[(4-methylphenyl)sulfonyl]-6-azabicyclo[3.2.1]octane","C14 H19 N O2 S",287.10078,1.431,305.1346,"Invalid mass","No results","No results",{"$nulls":4},100340334.0035594,102573404.4094114,107470315.6281678,38695429.73277895,62877805.75549214,65956465.78267535,123847037.9530384,123814349.3528451,242011894.5734473,33371478.85413769,53101164.54864261,52078300.59559283,62906999.14946336,57666920.18540436,62598864.64457267,23550114.02273608,16780947.4642312,22890721.05559563,94550157.1634496,92446409.6389131,48069256.46525173]
["Com_553_pos","Sodium Houttuyfonate","C14 H27 Na O5 S",330.14712,5.458,331.15441,"No results","No results","Full match","Organic acids and derivatives","Organic sulfonic acids and derivatives","Organosulfonic acids and derivatives","Organosulfonic acids",160340906.5264745,180847175.0426392,232082326.5975506,227318578.5551065,175765600.5890862,174447461.0796507,208564693.4807701,184736664.2920465,204564071.8001699,206767243.2237479,171715585.2512487,173842148.4518171,186607759.5322464,187470806.7121605,188625248.1518092,190510229.1432511,184441757.5624953,196874945.8050373,177851796.798185,173636402.5852694,205794072.7086284]
["Com_563_pos","PC O-18:3","C26 H48 N O7 P",517.3176,8.288,518.32488,"No results","Full match","Full match",{"$nulls":4},147337157.6752748,141217325.8245894,151814360.3330965,138263278.7971991,143628867.672585,134172367.0893459,173687559.5391969,163291450.0704513,169531678.1560546,158604148.7585522,153145506.1925752,158805080.930029,136530014.6257188,135664576.5026943,125500950.1506548,242452947.4723192,211106507.1272077,210763073.1641715,152512800.278749,154916238.794095,156805131.7011597]
["Com_595_pos","Kuromanin","C21 H20 O11",448.10148,5.137,449.10819,"Full match","Not the top hit","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Anthocyanidin-3-O-glycosides",199278261.7707961,197245953.2358477,206448652.362359,121670415.2845128,119236791.7680092,108602105.4209003,132522975.135689,138238051.5090625,138392684.5789743,150378728.894962,146963664.4108988,149126463.4256647,118680167.9308924,116800419.0333351,118538024.531869,96457030.18474366,85760028.97983295,98290929.6111502,140245020.170637,134387093.2862351,138230409.0635052]
["Com_605_pos","Efetaal","C12 H18 O2",194.13053,5.343,195.1378,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Not available","Benzene and substituted derivatives",157633448.2555579,36159958.02018211,42461465.6230023,228652625.6159776,69866676.07481097,92557811.1204267,90161142.06327017,46457932.00479372,62763254.45406079,57147390.85265971,70272562.04889126,76284572.79798765,69125141.49712324,68218457.56111592,97401581.83920856,46622012.63668054,42665516.2822758,54171440.84064916,102809279.136686,67167317.41155244,83851496.1953065]
["Com_608_pos","Guanosine-3',5'-cyclic monophosphate","C10 H12 N5 O7 P",345.04785,2.35,346.05513,"No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Cyclic purine nucleotides","3',5'-cyclic purine nucleotides",176753664.4784775,180526351.1932256,203758427.5461153,184930004.5652936,175236378.4606984,158332319.5130664,158884951.6328542,141639482.665884,146459623.5254534,141873989.119865,149999693.5428056,151923354.6454015,163747529.9089161,139142124.3635831,168307265.7572179,139905453.6183976,135023575.0129559,146140732.5502808,162727374.915038,156227300.2165486,138983038.3041767]
["Com_620_pos","N-Isovaleroylglycine","C7 H13 N O3",159.08994,1.42,160.09722,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",177383887.8536725,179682681.0639104,79786432.26572908,163431389.5592138,64825329.95478696,157132272.9527514,163693788.0370197,175248065.0297054,174721338.7616301,65617116.01009908,151250523.592119,62907329.43645643,65744057.04941668,212734722.0007409,58203567.66221751,190463722.8080065,186818979.0512229,53197975.65606826,157131985.606562,158698426.8599365,153784070.0683002]
["Com_644_pos","4-(beta-D-Glucopyranosyloxy)-2-methylenebutanoic acid","C11 H18 O8",295.127,1.365,296.13427,"Invalid mass","No results","No results",{"$nulls":4},180321005.51293,177788958.3995591,185663606.8190683,195308135.5201187,189987600.4117032,196678450.1664184,190320131.6328175,189174337.5071712,180013395.7612603,150202253.9283925,151163787.298386,159870896.674946,98689505.89075989,94825659.4496409,97905181.22207806,60063778.39447266,57570288.93777451,59559678.37666564,143755118.451611,141277394.5168437,143280057.263685]
["Com_718_pos","Juglalin","C20 H18 O10",418.09101,5.617,441.08042,"Full match","No results","Full match",{"$nulls":4},149375456.1610416,157402552.0411253,149760640.8374537,150845014.69988,152594831.7930712,157541843.7509561,52632397.71070886,145366015.375447,149914490.8414508,186750295.9597991,180461344.2592777,166375601.622928,107417724.9137959,142096524.6689564,153840631.3325386,145136895.9394214,147917267.4112167,110844119.9449886,175435446.254911,139701361.8840998,136267248.5529092]
["Com_732_pos","5-OxoETE","C20 H30 O3",318.21758,7.843,319.22486,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",70619541.28231971,75123925.36345576,77818882.99976584,112161529.4655684,117938822.8083568,107491420.5485446,102724623.3566283,101298655.0428113,110343544.5350623,118895196.3947142,117147604.7740652,120741773.24562,162915986.0862855,176669899.3445485,181418849.5012549,145653899.9022223,147306406.7631214,140300906.791672,104814223.25502,113522646.227946,118106078.7554772]
["Com_733_pos","12,13-EODE","C18 H32 O3",296.2357,7.843,319.22495,"No results","No results","Full match",{"$nulls":4},70619541.28231971,75123925.36345576,77818882.99976584,112161529.4655684,117938822.8083568,107491420.5485446,102724623.3566283,101298655.0428113,110343544.5350623,118895196.3947142,117147604.7740652,120741773.24562,162915986.0862855,176669899.3445485,181418849.5012549,145653899.9022223,147306406.7631214,140300906.791672,104814223.25502,113522646.227946,118106078.7554772]
["Com_747_pos","Valylproline","C10 H18 N2 O3",214.13221,1.958,215.13949,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",151124691.238033,155444748.7456619,160544969.2115411,116314522.6899556,118429550.866935,116548862.0389146,119588242.3443559,124282921.4457434,123338295.1523162,120845419.4194813,116987192.8967321,115015574.605979,120166173.0653969,121693239.3464507,130555606.7081996,117371602.7819311,117277528.3941459,110960778.6366036,121284523.720683,123375188.7489989,115008742.8605703]
["Com_749_pos","Choline","C5 H13 N O",103.1003,9.016,104.10758,"Invalid mass","Invalid mass","No results","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","Cholines",99563796.70428182,96671230.416278,97412295.88227278,124925800.7579078,130365762.3668468,132932336.187145,157093194.1127317,142201700.26954,126068234.9223938,117012488.8541581,115667205.6786239,115487195.5689958,126938955.1343019,121078514.3281272,129316065.2233204,175103800.7094406,134997739.0254958,121402528.6479632,133296685.476393,121688616.9344172,109485322.8774716]
["Com_765_pos","N1-(6-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)-4-nitrobenzamide","C16 H12 N4 O4",324.08231,4.191,325.08959,"Invalid mass","No results","No results",{"$nulls":4},139713702.5376955,151626847.1405558,137560172.826148,119198403.6819475,131598626.6104406,112509253.7033472,112292434.2857972,124315607.8482262,127184491.3337823,139937881.5459347,129161235.8929763,131297870.9395304,127204770.205239,111907849.1993583,133097966.2441851,110508247.3878878,127743238.6525782,120617734.5381096,128519491.790804,117433187.243144,113133502.8028392]
["Com_797_pos","Dihydrothymine","C5 H8 N2 O2",128.05898,1.366,129.06625,"Full match","No results","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Hydropyrimidines",106817281.5380936,107205016.7241152,116054560.5479532,166494055.7311335,165094612.5853099,168386665.9824999,148185282.0868045,146365161.1123749,138826165.4869443,114492118.5985061,109722645.2277576,121143133.6497587,121128855.8242125,110300213.6505054,105377366.141787,91667534.74413356,90858407.75950006,92295316.82977124,123467426.21307,118028617.3076574,116676619.7196574]
["Com_806_pos","3-(2-thienylmethylidene)chroman-4-one","C14 H10 O2 S",242.04245,5.039,507.07496,"Invalid mass","No results","No results",{"$nulls":4},114392000.3015426,111301482.3523261,106287287.1094659,161639929.5187714,168963690.6008841,161668325.4025001,139803390.2136597,154249111.8621648,148694602.6364297,143654944.8691869,143196076.283519,142303616.6343054,120938105.5314,115528144.0964628,119405381.1492962,125445549.64621,121714502.9371066,112358964.9248336,135883715.917577,130049927.4576606,121564497.6811225]
["Com_832_pos","Prostaglandin K2","C20 H30 O5",332.19688,6.874,333.20416,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",76227098.44057964,75621210.52960873,89530891.31000799,99004972.363771,101844498.3241005,112309852.7330453,131226406.9700094,117205543.4984365,140770892.2016894,126912777.2614912,118921734.7561389,121052857.4992672,147674014.3121015,140837874.125596,141749828.4318913,156020203.5309629,151419326.8010454,150287301.6945793,116259028.200292,119298246.1456324,129358558.403971]
["Com_893_pos","N6-Me-Adenosine","C11 H15 N5 O4",281.11132,1.333,282.11856,"Full match","No results","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",96813370.13236237,99380980.8607612,103607286.4631911,93060856.63542835,93551587.99323247,101541592.0123818,139488199.3454542,139313969.5651117,134558848.2005537,117013877.4646922,114963613.5310682,124767409.8819381,105303768.8134265,96548090.33853154,100839101.5445406,64461949.13498373,66773971.72739048,70136125.69889167,97413897.1859056,97643493.19617432,98938021.69497316]
["Com_895_pos","Methanandamide","C23 H39 N O2",383.28161,9.846,384.28888,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","N-acyl amines",14195677.63299356,19303518.27209173,27448650.18751229,9033605.061227037,9376982.336842272,9776728.559295518,9956087.856317518,8862800.695101177,7405379.795479505,6595209.050139369,7678571.993506827,7289048.916273938,6274564.968937923,6435302.306428466,24298479.74003685,7395134.481741612,143519863.4500457,3392325.745653443,5781769.13464578,6859544.894620159,5995406.562347128]
["Com_899_pos","Phellodensin F","C26 H30 O10",502.1839,5.446,503.19118,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-7-O-glycosides",107035855.7784852,127056264.2880219,128074713.0284472,123263629.8062441,118008651.0273602,122166920.248262,123935873.8611211,113597432.4444651,32744680.79325818,111331248.5942703,101613332.5954489,102881454.7056819,107990358.2979923,110968199.617588,112441499.1279314,114696414.1238011,101597717.632731,109499751.1594167,125806546.831797,109536420.2574635,100318568.1386852]
["Com_911_pos","Isohomovanillic acid","C9 H10 O4",182.05606,5.639,183.06334,"Invalid mass","Invalid mass","No results","Benzenoids","Phenols","Methoxyphenols","Methoxyphenols",98199073.58110414,95640350.87829106,103435998.6495641,142003030.4510821,145527006.1856155,145096562.3548478,114949295.6171434,114559250.9325642,117612236.2835869,142858180.7863237,139188909.6826451,143240337.3837657,143624742.8516363,137088066.9587792,137916358.6801978,139930251.6791716,132586990.1684293,138824321.9013513,118919354.494578,120884383.5174163,103118697.9567488]
["Com_935_pos","Palmitic Acid","C16 H32 O2",273.26724,6.677,274.27452,"Invalid mass","No results","No match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",100364838.3018345,100365381.9698351,107452892.7284451,74295843.0217784,67640663.8520067,63895671.81610705,106999266.7181044,102789154.4486463,103608524.3490797,105728754.2230844,102462328.2169824,106799973.443918,119899700.0074261,116129385.1197856,116500038.0934257,137672600.2984078,111714088.8204193,111157882.6935649,106397271.628267,107694087.4101029,104561868.9815494]
["Com_943_pos","AQH","C14 H22 N6 O5",354.16598,6.017,355.17325,"Full match","No results","No results",{"$nulls":4},119488650.6545402,120106727.0576391,119611707.0777794,100971610.9060747,104867653.2689987,102164298.1165133,103712058.1386192,98583681.35788088,92559407.10471646,89524731.75823362,91876747.93406926,94657714.0571226,97975563.96340182,81545848.95837572,89063189.53712355,89525564.61967029,91826947.33871356,94299777.40366948,108787233.489747,102163917.1093891,95274168.56442656]
["Com_944_pos","1-(2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)propan-1-one","C24 H22 N2 O",372.17657,6.02,355.17327,"Invalid mass","No results","No results",{"$nulls":4},119488650.6545402,120106727.0576391,117236300.7896166,100971610.9060747,103010794.4613522,102164298.1165133,103712058.1386192,98583681.35788088,92559407.10471646,89524731.75823362,91876747.93406926,94657714.0571226,97975563.96340182,81545848.95837572,89063189.53712355,89525564.61967029,90137586.41675895,92230332.34009796,108787233.489747,102163917.1093891,95274168.56442656]
["Com_950_pos","Urocanic acid","C6 H6 N2 O2",138.04321,1.251,156.07721,"No results","Full match","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",36180598.19656108,52356525.14387083,58863481.08478119,77466842.26123796,76580034.48780528,80258105.00024974,72343987.91202672,75831151.74655136,72457835.68248977,63143173.19260917,91894312.87126264,98159119.50704156,112998525.1868428,105028146.2516766,61591112.64042983,130855116.4312675,134477962.4697149,130906984.5984561,86548724.9411267,85896985.4337576,83242463.12717609]
["Com_982_pos","N-Butylbenzenesulfonamide","C10 H15 N O2 S",213.08295,6.061,236.07219,"Full match","No results","No results","Benzenoids","Benzene and substituted derivatives","Benzenesulfonamides","Benzenesulfonamides",97735057.64451794,95892977.90285328,99788204.0741578,122775861.6543869,128861646.5492074,124171867.2359745,111822811.1708207,110133876.6527846,103973663.5229323,121164962.0600714,122594631.3620594,128872380.0830485,131438509.35103,118991260.7446772,127616582.443069,116934701.4553955,120812873.7075995,121414362.9620507,115760715.873805,109826638.1926061,108169054.699884]
["Com_986_pos","Prolylleucine","C11 H20 N2 O3",228.14787,3.668,229.15515,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",112617421.9046323,102086763.6349193,121919502.9987249,107154896.329114,95226155.0718221,87789910.07199071,109876258.2802889,107905425.4096156,98057807.1270158,90788514.60641328,94427612.5652926,87004110.47845697,90310577.32324472,102946048.1654207,86692327.33460194,79618423.51376677,91684862.77322112,87994299.44957897,92475899.3601665,100969336.1071695,89275929.6648282]
["Com_998_pos","Indole-3-pyruvate","C11 H9 N O3",203.05878,5.163,204.06606,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",17512144.76099386,26099497.29138194,25195325.69099776,7863850.308196506,12328818.8652684,9121898.026721526,41932161.75475171,13758173.22413934,40278725.81544775,14048427.97663331,19640341.97766745,14363667.0842072,123699071.1509843,127454802.3957058,125974736.0876017,9180352.696410734,8254293.250746077,1996733.46566293,36820114.2888543,35295817.61329819,39458844.17581376]
["Com_1000_pos","Psoralen","C11 H6 O3",186.03206,5.156,204.06591,"No results","No results","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Furanocoumarins","Psoralens",22463847.4608876,26099497.29138194,25195325.69099776,10281124.91635871,12328818.8652684,11543465.21380367,41932161.75475171,70317171.87021112,40278725.81544775,5701202.149265517,19640341.97766745,14363667.0842072,123699071.1509843,127454802.3957058,125974736.0876017,10856915.21432091,11008006.72971912,1996733.46566293,36820114.2888543,35295817.61329819,39458844.17581376]
["Com_1016_pos","Trigonelline","C7 H7 N O2",137.04808,5.249,275.10327,"No results","No results","Full match","Alkaloids and derivatives","Not available","Not available","Alkaloids and derivatives",14420840.43445095,12059517.14784818,15222242.14953797,2638724.56248363,3548600.130791799,2358892.561853269,120566082.8743601,123155669.7195838,108606163.5924327,8734869.285316303,7666954.834631916,7962544.842258623,89624690.43808396,86025970.04619259,101590060.5858534,2201726.440428959,2594929.622824791,3215376.097585661,47658609.6261291,51998864.81721658,46872765.95223829]
["Com_1022_pos","4-Guanidinobutanoic acid","C5 H11 N3 O2",145.08546,1.656,146.09274,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Gamma amino acids and derivatives",46942316.30057914,49140373.85087104,49605270.16065465,61320409.63512588,67028841.16240682,63913258.48089289,62708645.35262484,62682347.91064025,61059037.96725509,71868714.88119736,68047854.97421274,74143211.85605186,84815588.72692032,84287729.62912895,76458774.19103985,115358712.162096,115619148.4991523,125711404.1393687,76388558.2129599,75336781.0222634,68406480.5345205]
["Com_1033_pos","4-chloro-N-(2-morpholinophenyl)benzamide","C17 H17 Cl N2 O2",316.09525,5.287,317.10253,"Invalid mass","No results","No match",{"$nulls":4},102149732.6364551,94740135.85250542,108297469.2238714,121913298.1338669,61059006.27922656,113063937.317886,96293977.96177508,97689969.5629952,96919203.1052978,105401163.1201739,96336485.66489716,81058018.79073747,114918171.7558667,122444873.4145456,115545126.8593425,106049594.1784,101663424.6265719,114915769.2270815,106065352.705912,115915607.6070537,102874064.6668197]
["Com_1045_pos","Cytosine","C4 H5 N3 O",111.04385,1.617,112.05112,"Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Pyrimidones",93609745.38012472,86927959.07450059,88985038.15543877,99879782.35249886,102514650.6773801,111551148.087353,94737647.04917154,98858155.03284054,86826125.93697074,105524005.3414559,99968631.7520271,102949022.2293591,108672542.5546544,100094960.5914974,98836089.39810996,106665904.5570537,99875083.84775174,109304940.6977444,117069080.807197,101216519.4963312,106819966.2115266]
["Com_1087_pos","Evernic acid","C17 H16 O7",332.09028,5.061,333.09756,"Full match","No results","No results","Phenylpropanoids and polyketides","Depsides and depsidones","Not available","Depsides and depsidones",63654166.7620896,87262467.39865525,102280308.777211,84048848.41351315,82243652.39023238,114410793.6290001,79696474.4342535,80247251.10389999,79302319.90946628,69232643.04698397,94306897.29671428,117702675.8446463,78227354.42506154,77701459.85821071,76445057.9589711,84318711.0375891,83769921.78323443,83069017.8309686,82964209.7808441,83641234.6826113,65236267.73659063]
["Com_1106_pos","5-Hydroxyindole-3-acetic acid","C10 H9 N O3",191.05861,5.204,192.06588,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indole-3-acetic acid derivatives",42991409.02401111,45459575.72533952,52254809.73675329,55085442.83524487,58953693.15170909,57039893.77997279,107568175.5979104,105577664.0491681,102051448.9260819,54701146.74966925,51790818.81544797,59043512.60512724,78762487.84577811,33225180.48972947,75150921.36158977,17017471.6396618,14723253.39362768,16336882.34661098,62303400.3062836,60329692.60328591,54712409.31139855]
["Com_1108_pos","Tetranor-12(S)-HETE","C16 H26 O3",248.17577,6.934,249.18305,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",35218476.92534037,36717052.63425411,38643638.84424829,19238488.22530388,18931590.17204493,19540162.16165031,10373552.33459206,11823115.08158591,10087338.15591036,49249997.9734968,49036963.91086532,49898953.96714842,51163701.42824981,50387489.77456132,47874120.21553971,98899827.79013152,104177256.1834811,112020756.722646,45417025.4750869,47256596.07649641,46266422.83673757]
["Com_1183_pos","VNH","C15 H24 N6 O5",368.18171,5.936,369.18898,"Full match","No results","No results",{"$nulls":4},88263754.43764831,89610505.86218318,22434198.24535033,64324941.87854328,53011850.56117161,51608361.47761302,16100789.93098087,48254015.07870748,49121026.76445954,17232732.22519775,17095985.11396422,82007064.94303627,55961041.87131818,59730960.51023967,49088854.29639617,64031703.88352673,70465039.63395216,73429698.84776378,66994377.6744737,79971838.03403403,64383154.42059506]
["Com_1186_pos","di-C,C-pentosyl-luteolin","C25 H26 O14",550.13424,5.346,573.12428,"No results","No results","Full match",{"$nulls":4},13027720.99874871,30627149.89576956,33328783.55313735,34443778.64737986,34846511.41206994,25914806.22630984,18557411.22789932,17681476.87319276,21056504.32187659,28098717.262132,58255568.70035528,7145160.990643044,18442262.17964233,6147131.236244672,18212809.23724212,100906515.8230869,15179659.39144182,13097657.10372703,40103281.5393595,24986823.23463101,25145343.2476644]
["Com_1189_pos","Vindoline","C25 H32 N2 O6",434.2431,9.168,457.2323,"Invalid mass","No results","No results","Alkaloids and derivatives","Plumeran-type alkaloids","Not available","Plumeran-type alkaloids",36327349.74313357,36733780.68315952,42451454.005899,48636438.16020551,50067257.0880806,48377068.46811796,77374716.1584165,78962286.3773848,80450968.28485478,47045722.02782652,70681824.7153128,72675679.63013005,81417411.40334111,79699200.28413053,83980680.97345382,100842005.1076826,91376325.94280969,94944284.76886488,59571650.4641822,70760457.34395206,64384678.64211135]
["Com_1192_pos","L-Dopa","C9 H11 N O4",197.06924,3.678,198.07655,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",19357282.87118594,24845332.19210013,22271503.57023647,18583777.94241835,16339096.39391021,16174781.99790108,78464451.03248833,78716653.49364953,72927129.93473898,21266705.43938392,18929532.52848044,24094963.03392933,95226863.65169072,100310384.2438555,96843488.57943118,11699157.67172374,16703641.06308845,17376734.25966561,44914638.4632838,40962271.69115607,43522354.52420698]
["Com_1214_pos","4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid","C12 H14 O4",244.07191,6.243,245.07919,"Invalid mass","No results","No results",{"$nulls":4},80524372.78186592,82225385.74337938,80458276.12652338,92413888.02590902,97597710.77486846,65703348.52046674,42392769.02193026,88536686.65008698,83780728.72640654,94398066.61104664,88287197.72664969,90576356.83019316,94124437.32872482,93301957.41949072,100403242.6947176,4427837.817432729,89419128.13570383,94304202.33553591,83655818.8923531,75785298.29001702,84421397.65773794]
["Com_1227_pos","SPK","C14 H26 N4 O5",313.1644,4.855,331.19825,"Invalid mass","No results","No results",{"$nulls":4},20263047.46230337,20740049.91876366,20838216.44861037,29354975.97760381,28572754.87902797,29041461.50832225,35329385.51250654,32583171.84324331,32440570.61156854,27400513.32846107,24066770.37578136,26124120.99192536,48437693.45728386,46631200.70846082,45262088.58612349,97069069.19672547,96424844.2206094,94009586.6194692,44104648.2491176,39869880.85495854,39840520.23365873]
["Com_1237_pos","L-Leucyl-L-alanine Hydrate","C9 H18 N2 O3",202.13227,5.106,203.13955,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",77113476.70210636,76759734.5441618,86562899.67471683,84703581.22530924,81761203.06877749,79558944.53678197,76091049.89532255,74366921.360022,75197521.55268204,70740616.59229583,72698023.21700752,70668419.71550432,83858624.04432796,83055419.02827393,87916987.67512813,93718705.39676297,92761251.40879232,96615383.38202263,80887557.9289517,81856222.35870154,76507798.67500857]
["Com_1284_pos","Kanosamine","C6 H13 N O5",219.07466,1.324,220.08193,"Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Hexoses",39858337.68359628,45539383.96015682,44873700.62683743,41314926.13803997,39635497.72008902,68537941.73660482,48492698.56497701,43517954.00278276,44426226.05144357,88946852.72404723,88795191.36316666,92126538.75862212,77699461.58196402,43103270.95278712,42757346.73421856,41607385.55133992,77271474.9115213,37530627.98707189,41810188.3761795,39487697.3591245,39598790.62905986]
["Com_1287_pos","4-Hydroxyisoleucine","C6 H13 N O3",147.08983,1.422,148.09709,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Isoleucine and derivatives",78118647.38686648,79613310.85025209,75543122.19209756,77959134.96621855,73165441.46516855,72825248.97197041,79633424.83153684,83977654.79601802,67874295.53198417,69458505.24570024,60671049.42460073,66496822.82022011,70939324.24536781,67932491.58242474,69901962.42577662,69731981.57692547,64912213.46914043,58712668.27123759,76127471.7017096,73554938.79769918,68824365.13356727]
["Com_1296_pos","SQH","C14 H22 N6 O6",174.08961,5.983,371.16843,"Invalid mass","No results","No match",{"$nulls":4},48575244.19807653,49518408.49100149,52410367.98854967,33078126.42744631,35317190.21715055,35415899.09832882,34536036.83039073,39373356.45167668,38222107.20718107,32542970.60261012,35072201.16615457,36642422.89298549,37348724.39303555,36541624.38686607,37013080.38268085,88854405.20997223,88686731.52543056,88956731.10518748,50594121.0205699,48195254.4630892,48303944.34635469]
["Com_1311_pos","Uridine 5'-monophosphate","C9 H13 N2 O9 P",324.03598,1.431,325.04326,"No results","Full match","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine ribonucleotides","Pyrimidine ribonucleoside monophosphates",77489073.6474007,75473330.33931509,77634363.37161973,80517920.02330802,78277321.54429412,79422266.1771956,68113786.05838586,69878109.4105206,66691469.15874517,59005502.34508447,56024565.34518869,56227831.30993767,52089593.4847602,51248286.16271451,51618241.16676556,43190236.19701535,42253739.49918064,44747446.35147972,62862417.2907665,63083342.12575565,57163839.55719408]
["Com_1329_pos","5,6-dimethyl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazine","C11 H9 F3 N4",254.07715,5.896,255.08443,"Full match","No results","No results",{"$nulls":4},74250718.60825065,73680347.29220824,81337568.19326364,56733051.2799288,57318550.18053073,56160512.38827666,66937663.58306845,60624347.45436966,65914395.75616692,61255406.53973543,60571715.77744365,62908132.47977204,60429268.95278621,61558292.80878399,59586126.04339048,59374646.3474775,60869697.71474716,58927240.57604995,65346576.656349,62974992.60989754,59303894.73440696]
["Com_1340_pos","Dl-Indole-3-lactic acid","C11 H11 N O3",205.07432,5.539,206.08166,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",19757492.00385915,19008590.02068351,23169644.60996384,20393735.40913945,20570414.3853619,18686334.59277752,76336907.76936717,84090633.79137628,76657149.27673657,22839937.32872676,21897449.126908,24156956.84243959,20607659.19748902,22998181.30906464,26708904.39620709,21991313.18638125,24746302.98968336,25839525.24322936,33175037.9948151,31825556.03944012,31535107.30441146]
["Com_1347_pos","Ligustrazine","C8 H12 N2",136.09965,5.825,295.1885,"No results","No results","Full match","Organoheterocyclic compounds","Diazines","Pyrazines","Pyrazines",70734066.72753987,71091133.59867294,74807840.54884915,44092593.9219596,43124236.92332075,43132495.97651514,63775840.29039381,61398968.69858096,63100240.98063657,45360101.06334485,45940517.82974464,49407302.27025493,43092447.36350136,41309272.59689236,45607769.51007728,81867827.74698965,85206191.1020004,81560078.70976236,61052970.7233018,60572040.99073324,57432998.29472592]
["Com_1362_pos","Octanedioic acid","C8 H14 O4",174.08959,5.804,371.16823,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",69482976.49296768,73177311.48794693,79555848.68431468,54852443.17206825,56561992.00915051,51749667.55846272,72071604.60651983,69337461.35785513,68845321.16063313,67083584.27829067,62573230.85975189,69109646.18302536,66691355.696081,63114956.40024398,66758479.40685534,68272046.90939227,70450167.37381138,71072109.88112034,68744778.3214552,66805037.44387972,65318346.77776882]
["Com_1384_pos","Perillyl alcohol","C10 H16 O",152.12053,5.713,153.12779,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Menthane monoterpenoids",72564334.24862938,73207871.74867246,77038408.89182565,71130787.50934462,75049458.64133328,75724209.68116042,53710591.15801085,52523790.13178107,52041506.88961586,59615114.19751879,61258246.29696509,59885250.69056582,55458967.08353888,55286227.46198391,56700061.3127064,79175325.23358847,67338105.89352962,70783513.67974839,65312712.7627298,64590678.2672744,61063093.75542333]
["Com_1393_pos","Riboflavin","C17 H20 N4 O6",376.13863,5.295,415.1021,"No results","Full match","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Alloxazines and isoalloxazines","Flavins",5133650.046692891,6770216.124143167,22033889.94462134,31790155.25171462,41675978.83064403,35192274.38902647,28854403.91229434,27147065.96405667,24515400.93507739,83055545.44564399,37032345.42211177,30164718.72885172,18058102.05115395,7079058.921671232,83478030.45440409,59165492.67771418,11755286.4447872,12325413.28305714,32090420.5839055,23525211.52144587,21026389.60966658]
["Com_1400_pos","Eugenyl acetate","C12 H14 O3",206.09473,5.444,207.10213,"No results","No results","Full match","Benzenoids","Phenol esters","Not available","Phenol esters",42907880.65722942,62665410.16365368,68091206.06111866,47493443.5751168,53664281.75439995,57384441.50440335,55463682.71741009,79551764.57108104,66856193.30976678,57675672.05242676,72437401.10262468,65796867.82707324,49950359.60966065,42833946.09244909,52588800.07069239,63472348.78773298,56774979.8251334,60386539.45537844,69400372.3618367,48174701.0454535,46590901.90597251]
["Com_1419_pos","IAA-Asp","C14 H14 N2 O5",290.09072,5.502,291.09804,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",57079315.61454678,56636499.47175837,62331207.80365987,72029364.27725805,73330249.48485099,65983498.73298202,63193525.23947906,65756607.56899217,61540362.99402339,80005086.37479225,77711459.06408215,78245874.60835141,73532604.18332148,73095724.02497889,79569870.57816012,78560043.14915171,79784630.1019527,80638902.13274516,71887449.0512745,66887611.07773422,62090804.89715479]
["Com_1436_pos","N-{4-[(2R,3R)-3-(Hydroxymethyl)-5-oxo-2-morpholinyl]phenyl}acetamide","C13 H16 N2 O4",264.11127,2.003,265.11854,"Full match","No results","Full match","Organoheterocyclic compounds","Oxazinanes","Morpholines","Phenylmorpholines",64781158.62129848,69747975.06002498,73943659.84076127,49596144.64133441,49745459.36234351,49015506.76882606,58442749.58819199,58717960.08072736,58350025.17543179,45825493.68539596,45348779.43316571,49053278.16648763,37406834.57244671,41059425.79949332,42821359.24188618,31338243.08925156,31697544.43527977,27915533.99255399,45073831.496011,32994946.58886298,48257071.35803871]
["Com_1449_pos","4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylic acid","C11 H16 O4",229.13194,3.638,230.13923,"Invalid mass","No results","No results",{"$nulls":4},46871004.06463631,42962629.20545396,47176247.87592123,39575950.26047705,39193785.3258316,41253633.39712135,73467702.27581885,74419888.1936454,74531946.16310231,62287665.04215868,61044930.06012442,61322774.10395643,54293752.42392839,55992281.33650196,61225982.53723607,45096584.98973824,44799265.50311825,43448459.98032188,56884627.6418301,52629619.71147405,53210969.15053163]
["Com_1468_pos","7-(2-aminophenyl)heptanoic acid","C13 H19 N O2",203.12752,2.231,204.1348,"Invalid mass","No results","No results",{"$nulls":4},55539391.17669611,68140024.83918083,58338983.79896235,54737952.45633975,48765859.74824497,55431930.90516689,52601292.78131146,53054591.95458417,54009270.66165055,53999050.76973174,51195752.48051175,55139364.72162795,47738088.71726514,47252428.20724994,47239658.73713909,47643910.41754685,44983183.10012753,49867050.36273199,51179264.3952606,52165331.70541485,47475395.57793128]
["Com_1516_pos","Trans-Zeatin","C10 H13 N5 O",219.11185,5.237,477.18695,"No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","6-alkylaminopurines",61397817.20313366,65589620.16057602,66824241.21132808,73757649.16025862,76312982.30437413,70699202.48413427,43460846.13820872,47700844.02265529,43358441.81374589,54779611.36474773,55188293.20729438,56300064.42790731,56321124.35262048,55958584.40850199,61799218.45821408,66547936.83927477,68479197.07301952,65788957.34790743,56493159.9883702,61896144.71396068,56080816.63562465]
["Com_1521_pos","Emodin","C15 H10 O5",248.07129,5.897,271.06052,"Invalid mass","Invalid mass","No results","Benzenoids","Anthracenes","Anthraquinones","Hydroxyanthraquinones",57115297.32755545,62193575.7508673,62229421.3138563,61981739.60876714,59892840.34025984,60453692.8938039,60756088.97520713,59796893.37674687,62330157.0493165,47091006.0014924,44276883.86985076,44891324.52093089,69944255.81708561,50942393.08199721,48840216.94360668,73557881.75372699,55551187.57300521,52044548.42266414,56210676.5844121,52943470.2582633,52858823.06790733]
["Com_1531_pos","Coenzyme Q2","C19 H26 O4",318.18773,9.961,319.19499,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Quinone and hydroquinone lipids","Ubiquinones",23853669.7023936,25313057.54810365,25367031.60181242,28763245.08126188,32012182.96830049,30653058.80890761,34863421.45986453,32148219.36766877,30925999.4346766,32805190.64901857,33842757.57778624,34003487.84147669,35899673.80362953,37412502.31736879,33700531.26430617,73128986.76888789,54627856.83291866,51043515.96275829,40434675.1998968,42191278.30732264,40613737.66673025]
["Com_1533_pos","1-morpholino-3-(4-nitrophenoxy)propan-2-ol","C13 H18 N2 O5",282.12184,2.399,283.12912,"Full match","No results","No results",{"$nulls":4},37862245.7536897,45892501.8429189,45222708.19395152,26948850.05901205,22756462.84621455,22835864.86194313,38677341.58243103,36712116.15652288,41000254.52244824,24811339.84214252,25684289.05785245,24831755.60285198,74017598.51353906,70308017.10812981,70441412.26610169,17799779.14541637,17634647.46332143,16283960.68839108,40037385.7156808,31798658.86871057,29982052.9231442]
["Com_1540_pos","4-Ethoxybenzaldehyde","C9 H10 O2",150.06895,5.441,323.12814,"Invalid mass","No results","No results","Benzenoids","Phenol ethers","Not available","Phenol ethers",61128781.43805976,64274099.95328896,64188607.40845416,63612751.8744629,60138061.59194946,59967313.96540221,62915955.64595379,49145113.06584278,62541938.64375895,32687910.21268783,49982164.0318544,55637756.1365483,55971583.83656542,50095874.44759541,53536478.20495182,52789846.63960096,52540541.43391251,48734894.67250284,58341784.0346647,66944903.63682868,54983747.64098164]
["Com_1562_pos","Thymol","C10 H14 O",150.10492,5.72,133.10161,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Aromatic monoterpenoids",17352131.52278734,62261863.27687873,30014572.23316566,22234054.15038065,24866349.23475882,26009048.60519572,52670642.12761915,68685507.66217557,27200121.76536021,26613071.22679373,25753957.09775244,22730427.64588115,18869978.66434409,55228315.836814,24325365.46569349,60578592.89641624,26526054.29835501,29596207.50974944,26817545.5774232,26138316.68766209,24655240.27227136]
["Com_1572_pos","Gemifloxacin","C18 H20 F N5 O4",389.14789,5.074,390.15517,"Invalid mass","No results","No results","Organoheterocyclic compounds","Diazanaphthalenes","Naphthyridines","Naphthyridine carboxylic acids and derivatives",27652752.05300453,27602132.03426367,9138436.93107956,47345621.78652228,48525979.54278931,38923488.06253392,44644465.27900039,43778208.11993804,47443553.01378781,26747050.24695969,52887593.91835094,57467469.16422097,61072784.42580344,41787884.24892975,45181309.28524353,70103401.14519013,46768690.42178068,69260101.27829911,54332539.4684356,50270836.10701522,44687730.78862116]
["Com_1579_pos","Phenol","C18 H22 O5",318.14349,5.033,319.15059,"No results","Invalid mass","No results","Benzenoids","Phenols","1-hydroxy-4-unsubstituted benzenoids","1-hydroxy-4-unsubstituted benzenoids",40673488.70787177,38691100.76428051,40545497.1007543,48305107.96320149,44547198.35814072,46239109.86668987,21478101.19120201,68437560.17128529,63280853.7547268,35688365.75208101,36266421.37590236,36418881.46691497,44115003.6906829,38842071.28200655,37039493.52721655,26809835.92761628,28233227.64190891,27800695.89005306,46298228.1312631,42386798.24760632,45178032.23172538]
["Com_1581_pos","Rhamnetin","C16 H12 O7",316.05869,4.784,317.06617,"Full match","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavonols",59058601.70040935,61817475.88845,64260923.67431832,59446188.53696444,59186857.59139897,57204578.13437496,55345570.55565916,51417240.00547975,55668034.40333333,47173952.34792302,47446381.36341252,47350330.64809107,43380253.72484429,46853316.03228156,44280238.6185086,41587782.11343552,39852959.78489165,35458244.97199311,51870119.2623151,53303460.31635057,49402802.9130467]
["Com_1597_pos","Oleoyl ethanolamide","C20 H39 N O2",307.28799,10.127,330.27722,"Invalid mass","No results","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","N-acylethanolamines",8935994.0460827,10736729.79967973,11353366.13620046,38253821.11634427,40589340.2106091,38963992.38777459,41917608.76234067,23337070.62042243,22926914.16607201,38577787.45666814,38010667.08225671,33672265.8053131,37468690.18364114,42807680.92618772,37719580.82998598,53843677.13403666,45818346.8437052,40923150.9615892,36814144.8506028,48679709.56394257,63919327.02560365]
["Com_1609_pos","Glabrolide","C30 H44 O4",468.32473,5.942,469.33196,"No results","Full match","No results",{"$nulls":4},51248953.25526228,60378494.3116907,60905618.60253926,62737891.67941979,64279187.36635072,62646922.84983046,44630882.95945726,54277138.14062487,57157537.31671879,52377379.04436104,38438807.21000364,37058038.30708485,67467733.91072625,1644507.157695826,22713929.61616217,23885796.11583038,43005833.35393343,46546409.37408841,59388015.6705399,59618341.63461566,58512338.02497833]
["Com_1643_pos","N-Desmethyltramadol","C15 H23 N O2",249.17098,6.279,250.17825,"Invalid mass","No results","No results","Benzenoids","Phenol ethers","Anisoles","Anisoles",51103408.60898007,48787166.32396216,58390351.90130831,68249923.2402794,65979191.55365479,65844537.67501009,60835954.94561613,54311272.31105544,59984491.28011863,62346370.61176193,58766521.42748553,60207159.03484642,64062383.4247469,63252124.67014492,61515573.04474949,62802653.77778988,59958292.32839639,67265099.5901883,61023599.4292619,61505966.55374426,58867471.74150269]
["Com_1673_pos","1-(3-acetyl-2,4,6-trihydroxyphenyl)ethan-1-one","C10 H10 O5",210.05683,2.129,211.06408,"Invalid mass","No results","No results",{"$nulls":4},53944430.49379497,57919408.91665564,59585290.31069706,35819026.56530479,37468032.32383841,38241259.0408176,48518734.22977568,52456256.2258965,33466377.79249899,48395608.99714295,46622364.32541055,51966479.6616718,47450901.02992203,45630322.04727823,43602828.64399982,45179965.80366478,46695643.11289061,41937580.70559392,44484576.2043408,48732638.56104406,46424439.59608781]
["Com_1676_pos","MJN110","C22 H21 Cl2 N3 O4",461.09498,4.764,462.10227,"Invalid mass","No results","No results","Benzenoids","Benzene and substituted derivatives","Diphenylmethanes","Diphenylmethanes",29817234.74628451,28133695.11974054,61145628.72004657,30663758.10577004,28005979.42627595,29133627.97879484,20779537.22274566,21949648.38013539,22008952.38773454,24197046.79656561,23208111.80635777,24883623.84587444,24309744.7243453,29226483.87872107,28581428.11118881,18287521.21457479,20634304.84189021,20818992.75904069,24118560.8808612,26393659.66764657,24476878.73633356]
["Com_1693_pos","N-(4-methoxy-1-methyl-1H-indazol-3-yl)-5-methyl-3-isoxazolecarboxamide","C14 H14 N4 O3",286.10312,4.702,287.1104,"Invalid mass","No results","No results",{"$nulls":4},19283859.19183091,56794824.8407987,44904916.91500236,38605258.44789991,36368601.90427586,37974866.94814681,32505119.06217749,29810646.37605013,32326608.75321846,59534488.48847568,40208954.21294333,41912023.61783443,34330233.146193,40087740.64689875,29993773.78163007,45754732.90687478,46630861.43110103,34063116.04878884,38512355.9691706,49574756.89963422,34044066.07271311]
["Com_1697_pos","L-Methionine Methyl Ester","C6 H13 N O2 S",163.06716,1.191,164.07443,"No results","No results","Full match",{"$nulls":4},21197813.83930042,21912986.93322748,26634116.64600186,14355075.37976267,15581125.79547548,16159369.77752539,15339401.95224334,19415447.14885286,17838250.52173739,22752763.6837795,22299680.56632484,25984344.72528834,40720561.16517536,35113068.42439422,31040694.03201131,60370175.95938186,63627406.62018289,61124419.52706879,26514715.4695777,27949375.2829753,28562445.59495021]
["Com_1703_pos","PC 36:4","C44 H80 N O8 P",803.54381,8.937,804.55109,"No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",27172612.57226578,30220286.4220816,22052821.01036065,3825011.638094648,3652606.772913365,3604161.853515854,54076773.33012217,59194089.82134013,60636817.44572771,19523320.82042347,14465267.08693146,32610086.63914396,32708456.86186892,31817724.18358229,29018417.26582504,17746943.0244563,13913913.48102368,12874343.75942802,37916205.3299681,38956666.54199576,40055648.78983472]
["Com_1704_pos","Euphorbia factor L1","C32 H40 O8",552.27049,8.306,553.27777,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Diterpenoids",56037647.37213662,56097321.97732874,59684438.64603715,55059606.86201412,55858128.13202151,51419828.81183379,59457192.67652398,55302011.25331238,54742207.97034457,51444389.53340793,43945462.09572365,48392677.82673021,44456611.16056916,47297459.5061691,44392023.65933684,56618196.72017946,50637732.69064265,50254663.54734938,51420285.3923855,51497024.42749323,47208712.19601814]
["Com_1732_pos","alpha-Ketoglutaric acid","C5 H6 O5",146.02183,2.029,147.0291,"No results","No results","Full match","Organic acids and derivatives","Keto acids and derivatives","Gamma-keto acids and derivatives","Gamma-keto acids and derivatives",51343809.57901388,55251465.59055413,54934688.3932723,46464765.84110523,47389824.52324312,47730176.60002778,54560651.55465064,53862667.11363599,49877671.25082985,44499326.09472172,40026226.46398818,43434537.32559691,45868417.97169418,50998219.07526476,51770899.24482086,49085462.05179972,55530788.48002067,43723905.76391318,48001183.1524086,46027808.39322475,45296055.06236106]
["Com_1734_pos","p-Anisaldehyde","C8 H8 O2",136.05194,5.351,311.06671,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","Benzoyl derivatives",47345180.80489481,42420959.2134174,51470536.73476908,59007631.64033814,57755843.6128594,61500490.00817593,52219825.21243495,47409368.656008,51252873.18439578,63816639.36703904,60961898.61834115,57720679.10747996,53248154.82485463,48096442.84415427,63357784.30594654,58005964.31648376,57062967.30735953,61526708.22670089,59505708.0183102,57054071.72759675,54071242.65004317]
["Com_1735_pos","Kynurenic acid","C10 H7 N O3",189.04287,5.296,190.05015,"No results","No results","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",53826001.41936162,55184989.62733975,52659519.62231541,46055407.76445701,43806306.00441703,47974962.96651257,40711576.8094582,41830825.45656374,29203033.33149189,45489478.58725708,40185099.13752078,46180925.79395033,36219170.89479927,34909429.98231105,38363762.58943225,40027818.92252868,36181781.66694299,38030309.99320818,43477715.1540099,40226109.50193442,46648968.81692872]
["Com_1748_pos","H-HoArg-OH","C7 H16 N4 O2",188.12773,1.29,189.13501,"No results","No results","Full match","Benzenoids","Tetralins","Not available","Tetralins",27350203.39877447,26945555.53030118,28189640.43560383,36083655.1789692,39406225.22348876,39232766.41352326,36734729.58043337,36447387.61460672,35444600.75463782,44514590.09754267,41609080.05541515,48974314.80548137,45703802.19642024,45555663.82006183,43860230.8215429,61411459.7960104,57716044.80949777,60836131.64159801,40746802.9388536,40749811.36812404,40571445.80113696]
["Com_1750_pos","Polypodine B","C27 H44 O8",496.30411,8.305,497.31139,"No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","Hydroxy bile acids, alcohols and derivatives",54304712.17967873,54279202.14656153,57459036.21931706,44363283.20854123,46221831.04555725,43765203.02911457,52705892.27965896,47065678.84881908,51222895.60209263,44923583.60724621,41107640.18039567,41375393.46582787,37871303.06856017,40976648.57143781,36964702.95367435,54024581.5460908,47274514.13772921,46034356.59912628,44689075.0761532,49058523.20002757,46721347.71239812]
["Com_1766_pos","Benzoylecgonine","C16 H19 N O4",289.12755,2.172,290.13482,"Invalid mass","Invalid mass","No results","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Benzoic acid esters",47214455.27118086,36916856.9980331,50495307.77551646,40527057.95810857,25955065.34900696,23242636.13825467,44728918.78164141,47239786.79805298,50366255.94567314,38268974.18966679,27750644.27193308,30480957.27570784,49819034.02399496,34617141.23364968,33617719.61435823,59309905.16675945,60664691.41117968,53898878.12445749,45095900.5785214,47904364.58812617,46220241.43315189]
["Com_1783_pos","(±)8-HEPE","C20 H30 O3",300.20695,7.335,318.24077,"Invalid mass","No results","No results",{"$nulls":4},43007451.56192123,42453368.92174162,44052911.47253312,36447534.62019895,31873300.70804721,31347230.46425084,57184448.44445169,56165797.41341702,57300695.57783935,53799729.98707104,49592055.64578122,55206042.96326201,29579633.75199028,27696158.64349856,33965955.01111789,56176026.33729345,50738084.71658225,29080896.69224289,43578919.2929234,47865657.33065155,44485513.03464705]
["Com_1790_pos","LSD-d3","C20 H22 [2]H3 N3 O",304.23853,10.556,327.22775,"Invalid mass","No results","No results",{"$nulls":4},8294302.296654069,8537734.13924087,10119111.38503904,24538995.42275732,27226099.34927808,26681139.014064,18540290.39629858,13682613.89126589,13996527.06196766,16805040.07285159,16294647.40744212,15864197.1220004,18412217.13975688,19209772.03086111,19697538.81948973,59624965.59605052,42816026.03512445,37126866.15984497,23173426.4505161,28593514.54073418,27961183.14292488]
["Com_1797_pos","Theanine","C7 H14 N2 O3",174.10091,4.79,175.10819,"No results","Full match","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamine and derivatives",51588425.46284565,50444611.92976556,53805545.07121147,53179800.32423246,50293140.50137339,48898436.41943374,57531353.8730881,53923270.05140612,56677679.44921879,37887851.1230289,35194537.84174693,35567139.53811903,53498110.02141882,55202008.35898483,54365405.12303843,51789035.37847044,53297649.23771524,50887567.36712006,47479368.1636988,50640212.15280043,50698767.11485206]
["Com_1812_pos","DL-Panthenol","C9 H19 N O4",205.13183,1.646,206.1391,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","N-acyl amines",37248472.29670401,51983200.83114716,53149351.17817037,39750719.91839083,40007569.34865993,40189287.21913589,44856152.53936648,46342432.93717098,44731028.97288241,37810661.24357101,41088485.27310276,44062713.53582374,41354029.41689081,28493910.91542641,38167182.9530898,30378641.33486575,32206785.02442196,36156100.73259733,45932971.1516999,45019972.75741963,39837102.44840337]
["Com_1823_pos","Vitexin","C21 H20 O10",454.08972,5.242,455.09699,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid 8-C-glycosides",13899811.29404836,17883478.29183057,18417734.46881488,20348969.55172582,27726629.5805872,31817836.0488193,29456973.70049076,23609745.46393016,29421806.91186411,50772006.20794439,28210175.74710134,35466519.37014666,29347080.32232844,28076233.76321251,29201022.97194141,7425443.772572394,25404912.50104117,28672980.51468952,32251192.3799957,45529222.60562479,54068599.46069774]
["Com_1839_pos","4-oxododecanedioic acid","C12 H20 O5",261.15801,3.769,262.16529,"Invalid mass","No results","No results",{"$nulls":4},47712208.61349533,48949483.05507707,49521047.28228063,39491494.29668167,38007359.28238495,39512142.90732741,41974381.39799278,42034446.5856148,55210003.02153625,36221675.42621654,38143926.6081707,38228415.95673808,31873816.52074988,39418910.61665388,34795259.45790686,38041162.7879581,39584317.84949211,39364688.94089856,39455540.3242849,40420974.69836278,38198420.19562]
["Com_1861_pos","Debromohymenialdisine","C11 H11 N5 O2",245.09021,1.336,246.09748,"Full match","No results","No results","Organoheterocyclic compounds","Pyrroloazepines","Not available","Pyrroloazepines",42342680.51410141,44511451.01677449,46855336.2432077,37823353.95270185,38524609.50373575,38428744.90533209,55077333.74868197,52931452.26070531,53902305.75119563,46228112.27717625,46114942.2268526,47406312.8866793,39784397.61136603,38133359.93163823,39171126.74961632,26750136.21319265,27537213.35241682,28749243.87470135,40253661.4544389,41000441.01141629,38519914.37061547]
["Com_1887_pos","3-N-Methyl-L-histidine","C7 H11 N3 O2",169.08506,5.334,170.09234,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",44573098.03560134,41706305.65108997,52523764.88793632,48389805.45639925,46613924.17382103,44505427.78617721,38799491.418166,40540562.95134264,38219670.79462996,50244782.33197926,46880890.47125951,45792097.44204739,42024823.31178678,39850224.6792301,42752440.07516985,53671444.78960303,39492839.08933484,43809848.50350048,42718215.6865769,44037873.5998528,52116114.09538487]
["Com_1893_pos","Tetramethylpyrazine","C8 H12 N2",154.111,1.451,155.11825,"Invalid mass","No results","No results",{"$nulls":4},29764272.27285668,49370933.20371394,52714338.94474939,44959292.43150598,44706222.4557858,20383262.56042729,46439396.8792771,24997194.21987236,22469873.239507,19668814.55689678,42499312.99267722,21247394.02569713,42844546.22109246,42515036.83757634,41731378.62410569,41552575.94011705,41341998.79391456,41790523.17848539,47913242.1089307,44340650.55270137,41841278.64044736]
["Com_1900_pos","Quercetin-3-O-beta-glucopyranosyl-6'-acetate","C23 H22 O13",506.10635,5.265,529.09556,"No results","Full match","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",49369466.40951858,41647311.74264953,42689418.59445815,36927317.57242751,39333688.68569639,37522051.28378879,46315028.20644718,43961248.26066732,42082565.1314669,43073361.68286333,38757466.25442162,42796660.14251975,44393061.9293182,46696131.63223037,48056326.43629253,36299853.28693762,40672868.9834556,32923888.83366559,43609263.9708003,47320806.04872796,40744297.82918657]
["Com_1904_pos","Sugiol","C20 H28 O2",300.20876,9.545,623.40729,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Diterpenoids",6901870.484277148,7781358.497424849,6385183.349590039,17068003.94927549,14652741.59431901,17591033.11841042,28821312.05122841,18386849.32350505,17458175.4658078,17358694.23530531,18529898.01373976,19460360.19927861,19701569.45448996,20091293.49764833,17275072.33821859,55639497.69805952,32802706.34794991,26885029.27359819,16513493.7517462,18257457.80186057,19785893.25596666]
["Com_1928_pos","N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide","C13 H19 N O4",253.13162,4.137,254.1389,"Full match","No results","No results",{"$nulls":4},47204472.89414081,48615857.92493221,51676186.00158624,33398217.07842281,39787815.22102263,5542716.408774865,35529890.06790871,38670079.89385167,34554878.08532678,20790062.06285993,24359582.04402825,25558148.93016715,30866147.39034297,28680658.20327633,29397230.96665336,21516754.56948112,22975488.5736164,24932137.58350614,36666252.3411989,32066546.90899726,24645527.30614258]
["Com_1937_pos","1-Methylguanine","C6 H7 N5 O",165.06551,2.096,166.07278,"No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","6-oxopurines",42208863.41986948,48390510.08616009,48536086.92821484,41717783.22689695,40464565.47765069,30978690.16971447,42902240.12008373,43635721.23238637,48691831.44627921,38057083.14107999,37381556.79666349,39550189.32444913,40293212.27803883,40405566.24680302,41230021.4626399,44633412.65255155,44033375.18307675,40540408.81891027,38968001.4376787,43333293.65714324,41320555.03584035]
["Com_1938_pos","11-Deoxy prostaglandin F1α","C20 H36 O4",362.24378,6.184,363.25105,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",48325366.57287119,47249824.57221138,49810322.66531253,31872704.66913252,28737233.75449469,30193400.56335147,34014182.4488031,34528877.06293089,32926176.26262529,31627495.60331201,30761682.10614929,32903974.151562,27536460.67058517,24260441.44586024,25470105.45008716,49550590.91729013,50458069.1366807,50562258.01681304,36572985.7621581,35600036.49158281,35274440.65674328]
["Com_1959_pos","alpha-Asarone","C12 H16 O3",208.11056,5.468,209.11789,"No results","No results","Full match","Benzenoids","Phenol ethers","Anisoles","Anisoles",43605111.34344119,46409508.26317127,47107073.38573713,31606902.82196314,43556479.0210336,35744344.70865539,49092706.37793871,52950030.67277353,39795337.67967927,38537309.9803116,35607708.96917427,40336752.90486266,41265969.45719495,36777171.74642412,43136475.9919003,41584352.09087697,40116646.82102519,42083256.01635506,37067152.6309328,42110927.33646183,38019105.63964531]
["Com_1974_pos","1-(4-bromophenyl)-2-phenylethan-1-one","C14 H11 Br O",223.12139,5.787,224.12871,"Invalid mass","No results","No results",{"$nulls":4},3574247.605605996,4154412.93241998,4064840.735176944,1815563.424329028,2088227.463344738,1894382.125775558,7492686.748598698,8009954.919118514,8044252.186117112,4319226.407248409,5531489.213690985,4887497.12642444,54256796.67264376,50123731.92869841,54409556.43885493,3371221.317258201,3398263.410180865,3127969.443456488,11366648.0313239,11778212.72862461,11426407.29179719]
["Com_1980_pos","AL 8810 Methyl ester","C25 H33 F O4",438.22324,6.377,421.21989,"Invalid mass","No results","No results","Benzenoids","Indanes","Not available","Indanes",42947408.31705128,47209451.1751909,9652467.127604889,24796795.53326077,27552247.23232392,50386538.65710082,48708100.845322,50154819.10566331,49198785.28391012,53404969.72671453,51024215.13979369,51248988.47075386,45131867.81284697,41482738.77644591,41727428.18388837,35548312.95873359,36180503.83517168,33845039.53378514,43830478.8839964,45030464.23605013,44275304.08661569]
["Com_1985_pos","2-(tert-butyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one","C14 H17 N O4",263.11619,4.974,264.12344,"Full match","No results","No results",{"$nulls":4},28538212.26914022,31179148.1618453,33733988.46561031,30029801.16255309,25310030.19468532,28358238.01428307,51518623.22017644,50470753.09891979,49413424.35965838,48065152.56485074,48226309.29103103,49477332.85048088,52044096.0584414,49501089.45613043,52995210.93840742,45877054.18780456,44535285.04973133,48085581.03369934,43528033.0659353,42928404.27626665,44392804.26507619]
["Com_1998_pos","TBHQ","C10 H14 O2",166.09869,6.534,333.20406,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Phenylpropanes","Phenylpropanes",34167117.25295538,36120222.50890081,38186472.8761204,39269742.34360107,40181667.14601675,37860264.66606508,42906730.31048514,41244931.44582622,43208690.61683829,41248268.99376558,43986647.49939852,42870836.53430547,37761736.22249026,35887414.8838103,40910181.63424442,52621274.78345128,51315517.85817545,51278782.1130339,41869082.4069391,40363115.27462798,39338607.84073359]
["Com_2020_pos","DMK","C15 H28 N4 O6 S",196.08552,6.328,197.09279,"Invalid mass","No results","No results",{"$nulls":4},41828076.10591862,46006050.96247541,45237206.75687664,37140445.40228588,42937155.62368542,44033161.47306068,45362598.71558622,34586040.44649125,42827407.35429113,42026055.31679677,43037580.45528196,45264871.95836131,45504920.8927908,46296774.39355189,43679076.37841114,50085209.94765865,36719474.04001403,42755989.03933585,43734608.1172148,46016654.9388376,43999954.26382568]
["Com_2083_pos","Alisol C 23-acetate","C32 H48 O6",528.34569,5.98,529.35286,"No results","Full match","No results",{"$nulls":4},31021396.34625369,30704918.92992709,32232734.55393269,31040546.78988919,42286948.33200225,18608079.04090254,28279000.37137145,29173926.00085996,36844279.36938701,21681513.78284046,30621691.22368867,32085155.68000099,49656101.09673736,42053628.24046677,51418175.62654651,26556195.12832849,29077248.02543882,25791631.37410553,32066188.6895249,33185706.23961457,35133422.17121408]
["Com_2100_pos","4-(3,4-dimethylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one","C16 H21 N O S",275.13733,4.815,276.14461,"Invalid mass","No results","No results",{"$nulls":4},21141424.24021622,21057724.78267292,21497640.36529014,22637568.72835052,18907407.85392516,20493553.03287219,46215478.2534807,43672639.92675596,47043201.13289645,37509420.04073117,36257103.62063462,38408483.41537899,50605649.98511828,45780114.934728,44480300.0782195,40061908.49707483,46123544.2071776,39505386.49765548,34802149.0641437,37750695.24625005,39442864.76606853]
["Com_2150_pos","Mosloflavone","C17 H14 O5",298.0847,5.28,299.09197,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","7-O-methylated flavonoids",42720114.9791564,15389459.78144547,45317934.79770175,36780925.20184153,36564306.33834567,36484631.16781677,41109019.75713561,36118628.63748519,38308416.03609417,45285536.98170236,18503171.34187036,38290793.22052017,18830454.26244545,32544710.84538485,33621702.24404065,32864022.36370385,39395761.15367334,17466786.16298444,38517053.4527482,33511621.97639339,35394553.76758746]
["Com_2176_pos","Ouabain","C29 H44 O12",584.28147,5.98,585.28875,"Full match","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Cardenolide glycosides and derivatives",28803264.62976625,35706295.31230586,26166153.37670942,33130676.41275463,25309083.0461239,32178007.7253573,23567509.40927154,46603296.56033515,6684832.960099144,32454443.99729753,31324857.52856838,42530886.82199307,48125036.754977,26430026.0398188,20689869.65558848,27816087.51791467,27638055.71674833,29194383.83697525,39184722.5081546,27919394.71711746,27191260.60735672]
["Com_2182_pos","1-Methyladenine","C6 H7 N5",149.07052,1.426,150.0778,"No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Purines and purine derivatives",27531874.31671336,39620015.09167895,25750123.00621081,42762579.59504575,40513579.726915,42436248.18272749,43196523.58667605,46410780.42768098,45035879.47495171,37363708.61447369,34825506.16788733,36786547.05261598,35922147.71054793,46031329.51461151,33778221.2389062,33854409.72975078,32826127.10316495,34982181.60811695,39235488.4972821,29931692.39031932,36004045.94957559]
["Com_2214_pos","DL-m-Tyrosine","C9 H11 N O3",181.07443,5.114,182.08171,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",3094640.913187912,2828842.097701339,3871752.697291415,2972839.905577338,3495264.835098716,4555800.01637971,8800966.065140445,9411732.518458694,9441354.728160009,3124862.504183632,3027114.923518793,47597571.14164224,7173493.957943911,6483589.987626074,5702020.643500481,2935734.788120517,3001996.490804493,2359535.036404138,5103110.78496621,4517007.872807146,4387614.563369341]
["Com_2217_pos","Ademetionine","C15 H22 N6 O5 S",398.13532,5.753,399.14248,"No results","No results","Full match","Nucleosides, nucleotides, and analogues","5'-deoxyribonucleosides","5'-deoxy-5'-thionucleosides","5'-deoxy-5'-thionucleosides",3353855.347754583,3016904.16106512,2661313.091179062,3229392.03438054,3231681.166197533,3129465.587204113,3205537.993602375,3332209.150490937,44409694.72383919,5415948.571349178,2760008.650986859,1459497.117082677,2782532.537098032,2613010.827959755,2398751.963897357,2607440.676926434,2864835.773448928,2291618.703882723,2856259.00892292,2831480.600945683,2618651.176137633]
["Com_2234_pos","3,5-di(2-furylmethylidene)tetrahydro-2H-pyran-4-one","C15 H12 O4",256.06965,1.603,257.07693,"Invalid mass","Invalid mass","No results",{"$nulls":4},28729926.04017189,27124223.19525708,24729849.36043993,21801895.6453447,21888139.89477695,22302699.27452356,22901115.69589604,24531607.30591723,24744166.05288458,22969111.35104612,18149452.02532127,21710508.84120021,21389780.36435795,19837511.98662938,20496256.72642014,22665600.2495863,45808843.18555013,23169869.97679597,25656592.0153816,21161720.8633451,24770826.00986852]
["Com_2250_pos","Methionine sulfoxide","C5 H11 N O3 S",165.04678,1.347,166.05371,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids",27606007.65248318,19948806.95653722,22681691.5525887,29192670.18742096,37383635.43672548,39263585.60853869,39717469.90812789,39410698.88369034,37438799.90472971,31301700.03595847,29139394.78604559,31230331.63309924,28761465.57093146,28995745.13061371,27632173.68853096,45303827.43417688,42359356.7730132,615683.9569963311,35439275.4947233,34352800.02394821,34332942.86232805]
["Com_2286_pos","Norfloxacin","C16 H18 F N3 O3",319.13816,1.259,337.17187,"Invalid mass","No results","No results","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",22884374.69645612,25077374.18640176,24966214.55669446,34006234.35496875,33212391.96129362,34933569.26566412,42759040.78104447,39372246.79731113,42454033.99889044,36475968.1526603,37713651.00367219,37428591.18509523,34866667.31519014,31994673.34575284,32652741.70277825,39411630.1211812,41861205.33408328,42791382.96779249,34196693.9779843,33241159.091846,32119093.11651014]
["Com_2288_pos","2-[(2-chlorobenzyl)sulfanyl]-4,6-dimethylnicotinonitrile","C15 H13 Cl N2 S",326.00138,6.453,348.99061,"Invalid mass","No results","No results",{"$nulls":4},35834873.8583776,36714211.49775197,39635153.89449327,44296047.45606622,45323067.06175591,44362827.94583613,41174743.65595732,41512699.39087269,39956674.63404036,42472054.71791011,42172835.59082169,45209666.69735948,40902725.60035456,41785269.38172812,43251260.71952751,41716331.53494585,41547371.70004391,40820202.04211876,39592475.3928541,39862922.13424533,39115052.47689712]
["Com_2313_pos","2,6-Dihydroxypurine","C5 H4 N4 O2",152.03379,3.321,153.04107,"No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Hypoxanthines",33933977.65810677,33746368.90366581,40954406.02862638,30074511.0362612,30944345.57721962,33572029.06392185,28676720.3020067,25415550.76283109,25460590.28787719,28759256.82378839,30571978.53471274,30452479.30311262,30324537.88842816,25316163.2483646,28639497.76551923,29434580.99209064,30014729.77549047,28797685.7900311,28579331.9368435,28037730.32118785,28025139.0663231]
["Com_2336_pos","Thioctic acid","C8 H14 O2 S2",206.04311,2.561,229.03233,"No results","No results","Full match","Organic acids and derivatives","Carbothioic S-acids","Not available","Carbothioic S-acids",35789917.58850043,35405828.01858426,36341708.15362666,39431992.70012244,38758009.53033794,32532018.43210125,22833165.17328971,28452112.12032312,23576247.27967552,33497056.34142405,35418449.06517643,34673674.71874552,25593304.00026819,26858983.14120226,25306341.03983501,41710554.34603963,39060279.71963283,43134355.98767409,35435238.7908969,35002513.51432001,32163792.18823253]
["Com_2341_pos","Geranylacetone","C13 H22 O",194.16739,9.787,212.20123,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Acyclic monoterpenoids",11685415.16465381,11162825.18402534,11537272.77832859,23012339.18037789,22430153.04115588,24027257.00612658,28551737.60751928,18096703.65651708,17706522.73357484,26636463.36336928,26815092.58476076,22690549.72747689,23139896.49880967,27809263.94658516,26885251.14984475,33009469.48113152,28243473.95144263,25293382.07382957,26252417.1057387,30627158.39060676,39645488.60398789]
["Com_2355_pos","Natamycin","C33 H47 N O13",1330.59345,6.978,666.304,"Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Aminoglycosides",9169866.684996275,15226971.62817519,9450416.386687528,12192189.57651203,12896043.37602887,11464113.23379367,15073816.33197,8212599.745685535,18301404.35190438,14683328.44914313,14137630.98056773,11704788.10043505,7344711.74141098,3616573.878807473,4040505.043814868,36693252.93813495,42298810.66549234,36416985.50482915,16655846.5235868,15442174.07248447,17231237.01556719]
["Com_2360_pos","NNK","C14 H26 N6 O6",396.17648,5.816,397.18375,"Invalid mass","No results","No match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Aryl alkyl ketones",19880003.01531268,19278608.67923627,20031905.7508673,16987070.87970098,5175962.408483918,10871123.39682801,18504943.82829918,17533449.90808738,19071046.44786932,12052880.44222939,41998344.61009236,16536975.27342986,9766160.966146624,9871528.357004894,18091407.27125691,18336454.18957114,4414920.381225707,18262323.99243904,11224920.496659,15921665.85115644,14118242.99354305]
["Com_2373_pos","4-[4-chloro-2-nitro-5-(1H-pyrrol-1-yl)phenyl]morpholine","C14 H14 Cl N3 O3",307.06926,4.637,308.07647,"Invalid mass","No results","No results",{"$nulls":4},4318648.673152928,4653501.730568884,4378044.628849639,4121109.400862645,4329950.234582719,4305233.503443731,37833898.15567083,41101460.32231071,37546310.70502638,3691821.133647344,3486517.506127149,3614229.714885545,4164634.876757242,3875625.005110074,3547739.682568063,3216225.344397402,3570309.129688474,3605373.017510389,6160165.58847015,6919011.921466237,6211227.030549556]
["Com_2374_pos","Neosaxitoxin","C10 H17 N7 O5",315.12969,4.053,316.13697,"Full match","No results","No results","Phenylpropanoids and polyketides","Saxitoxins, gonyautoxins, and derivatives","Not available","Saxitoxins, gonyautoxins, and derivatives",30295450.34932706,29926232.04251834,31094035.28280577,31510522.15301736,31267376.65430893,29100698.19259162,31014559.90433765,37811651.48321595,33360695.40301177,32941503.70926617,30010387.01729647,40006211.71298033,35580867.77623498,33791529.47866424,36908058.06465958,31339995.21246652,41910834.72734176,33069764.95665313,35696143.6644733,31250486.8984158,30161685.05359349]
["Com_2385_pos","alpha-Keto-gamma-(methylthio)butyric acid","C5 H8 O3 S",148.01978,1.376,149.02705,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Thia fatty acids",35660881.81313708,35600778.2360777,39301623.24681457,31012430.58426248,3035049.679344496,31431628.99249295,38740233.33252295,37316162.27204592,37921038.78909671,31668006.41162912,32545202.87763905,34480995.29141382,28873793.51528012,28473679.2769997,28370697.55292646,38889376.8657537,36681627.15922501,39426550.41009224,33376004.973229,32473276.05434004,32173443.96016433]
["Com_2413_pos","Protocatechuic acid","C7 H6 O4",154.0269,3.642,155.03415,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hydroxybenzoic acid derivatives",19627974.27220425,35151681.9292061,38744976.08933689,14185065.56147848,21871859.0379757,22002102.49659632,22070537.18021233,21489864.42017572,13604775.51514531,22101022.34984581,19571484.31664,15919450.32392012,21034575.20142974,11778020.99701755,20334409.24943842,20561231.47682882,18508545.55358673,19370070.95063138,20812950.4789366,28426357.13861321,20551763.12704689]
["Com_2424_pos","FRH","C21 H30 N8 O4",458.24125,9.387,459.24853,"Full match","No results","No results",{"$nulls":4},14426645.02268217,14846736.65242279,14609347.47542972,18555538.79581407,17853130.51467742,18540607.85962075,30887962.53022568,25761148.66227199,26215731.21283196,23592225.40606394,22556625.84277621,23835884.72981594,21810149.53376847,21877081.27162737,20663700.6096608,40850882.39914858,30174844.3390427,25346310.32010756,20277290.3075984,23802387.58832915,22730912.37594636]
["Com_2443_pos","D-Erythrose 4-phosphate","C4 H9 O7 P",200.00925,1.21,201.01653,"No results","No results","Full match",{"$nulls":4},35017933.90370537,35804602.72435525,37183785.68377923,35397645.31017711,37389022.5167784,34901449.3665311,32483210.0251179,34513615.29264521,33046035.79865086,28968676.85749578,29415611.60583084,34371255.05423006,33073014.66771816,31866338.62511893,31367530.17447962,30066734.52727748,30492981.56626036,31476976.60681786,37983933.7514815,33892684.33482538,31209209.59977923]
["Com_2445_pos","Methyl Eugenol","C11 H14 O2",178.09978,5.453,161.09656,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Methoxybenzenes","Dimethoxybenzenes",33109300.41257513,35745890.78693664,13997337.18730684,14130377.62100103,13961263.63576072,14238948.51643568,14864418.85775258,15622624.54552413,14900572.70222556,12399464.20220584,13867069.74682574,15116590.93742333,13765537.07938234,13484663.55338256,16737369.88757682,16368290.72508514,15112909.5266391,16558652.56156524,15065272.4548319,13869678.74395766,13846701.01018386]
["Com_2460_pos","4-[(4-chlorophenyl)thio]-1-methyl-1H-pyrazolo[3,4-d]pyrimidine","C12 H9 Cl N4 S",294.03802,4.977,277.03474,"Invalid mass","No results","No results",{"$nulls":4},26181398.97025006,28590667.2928453,24959106.40273097,25157465.5808096,21673044.15427781,24878631.58807229,22828904.42891937,25380609.21085623,23930170.00062203,25963234.77401118,24205987.32380933,21327377.24958616,22173861.16259876,19180198.58254349,21049581.82867404,37040894.84168557,38424788.22442424,40548041.89250306,26168704.9511597,24352490.00177716,27243977.27004571]
["Com_2469_pos","H-Gly-Pro-OH","C7 H12 N2 O3",172.08517,1.377,173.09248,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",33366042.918527,34951074.14255012,36870507.25705372,39363232.43662301,39404194.41350618,32954765.06619846,34968706.55169602,33606033.00735977,34545654.51376939,32340445.16975161,32214663.70968855,33855834.42607145,36369133.68966786,34183970.41288425,35308985.93033873,36864749.56969766,31974042.37371362,40421522.38535931,36356479.4223585,35335189.16817097,34041403.89580486]
["Com_2470_pos","(-)-alpha-Pinene","C10 H16",136.12561,6.131,137.13288,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Bicyclic monoterpenoids",30463790.31876946,30657328.8109146,32786182.72067482,41617762.15759659,27760734.74326587,38623291.78270034,25545576.23977412,29037372.86916141,27585307.83308642,24742267.41650855,25550450.43971355,26560395.08616952,33747689.11062799,23855806.60071023,24598103.61753026,34569481.81435554,33986889.15817092,34215589.87690543,38550561.1803153,31171542.42891256,25097541.66159892]
["Com_2475_pos","Praeruptorin A","C21 H22 O7",386.13684,5.525,387.14422,"No results","No results","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Pyranocoumarins","Angular pyranocoumarins",19554340.84893554,21422870.43378338,21084928.26019863,21776677.23980631,24005860.19474892,19255037.51776854,20607320.86260097,18257660.71423528,23509299.82050782,18985970.21334041,16297223.67434621,17706137.71280843,19898265.60994783,20507360.98164729,19436467.52746215,19045504.88448401,39895051.18511741,18262048.04414558,21805564.7415214,17613612.86435952,17715173.55695933]
["Com_2481_pos","beta,beta-Dimethylacrylalkannin","C21 H22 O6",370.1415,5.475,371.1487,"No results","No results","Full match","Benzenoids","Naphthalenes","Naphthoquinones","Naphthoquinones",26004559.67198103,35317641.08268242,35302915.61086222,26786552.23072806,25400111.80514774,29966068.35166223,24981723.69435482,27908233.67015071,33524773.61942072,30933745.93318934,21848502.25887139,26435577.80696593,34246162.22842955,24512380.99431575,34255097.55935176,25284192.13723949,16626999.49067588,27050838.09458053,22869623.8239048,37352452.99505495,32023139.97388977]
["Com_2482_pos","Trachelogenin","C21 H24 O7",388.15273,5.518,371.1495,"No results","No results","Full match","Lignans, neolignans and related compounds","Furanoid lignans","Tetrahydrofuran lignans","Dibenzylbutyrolactone lignans",25687001.31356253,35317641.08268242,35302915.61086222,26786552.23072806,26989675.40397125,29966068.35166223,30831210.99866652,30222262.84516948,33524773.61942072,30933745.93318934,23858485.77663807,9593824.530255986,34246162.22842955,26872476.14390228,34255097.55935176,26652294.97587948,16626999.49067588,28650433.01077294,28033368.8567321,37352452.99505495,32023139.97388977]
["Com_2511_pos","4-amino-2-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile","C12 H9 Cl N4 S",276.02735,3.644,277.03462,"Invalid mass","No results","No results",{"$nulls":4},31630767.76921902,32258932.6157098,37060949.15511862,27307661.29564785,25580878.29539801,24600502.09302674,29826928.10969341,31877597.32513555,27301603.59478597,30248028.35419631,28532797.6928125,27013519.85860401,23614481.69879754,26397070.21321761,27468849.63518241,25871176.71699778,27875434.234298,27155365.18807824,29770024.7540895,28055677.36966516,28770727.89536064]
["Com_2513_pos","Sauchinone","C20 H20 O6",356.12638,5.551,357.13382,"No results","No results","Full match",{"$nulls":4},32803608.03742421,34307944.8397885,33329338.96444435,21641340.30498683,22530103.72833818,22055788.55640626,36398099.06558142,31484989.5667515,32025840.09708293,28511617.78596212,22891739.28463202,26674125.33721625,28774642.51264237,26831536.44966849,37869727.20173203,29247413.94719292,39317655.4863489,28266271.03271704,37765827.2337839,19876350.78810706,30796618.32336397]
["Com_2514_pos","SM 41:2;2O","C46 H91 N2 O6 P",820.64403,10.504,821.65131,"No results","Invalid mass","No results",{"$nulls":4},34784716.70798936,4630332.677782895,4824840.132079802,4680246.75993459,4621794.56680409,4513717.54302839,4320807.066017074,4391634.440057435,4530178.114042295,4415095.158417357,4363005.676586245,5077557.272066863,4537433.722709599,5028578.64825291,4775240.236523507,4409653.338707376,3922657.692698267,4053881.640756783,4697422.65218305,4905871.524144322,4829457.24080084]
["Com_2525_pos","Biotin","C10 H16 N2 O3 S",244.08542,5.502,245.09271,"Invalid mass","No results","No results","Organoheterocyclic compounds","Biotin and derivatives","Not available","Biotin and derivatives",27571142.83872751,30348155.0545415,31567759.80764146,32589169.97990556,35042967.64365165,32542047.89046905,29865965.66266666,29719997.31491585,29155499.85094349,35040819.75000436,36334488.04510931,36417358.18023209,35074667.07529099,37013827.1806073,34372021.90137257,38277288.34409896,38328831.30833034,39471662.98729113,33189558.1691564,33651663.49212272,31847505.9877652]
["Com_2557_pos","Indole-3-Carboxaldehyde","C9 H7 N O",145.05314,4.736,146.06041,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","Indoles",23793519.86908071,16959067.64185257,7518392.717881267,29996164.58136391,6919148.036213995,26792106.97325152,20659838.39158427,7460187.279856753,7315523.983403423,20219821.53723308,20209350.69546129,9960457.18985114,39094306.59953499,34015389.31421534,32235104.43593854,35012588.43349979,35933051.19140656,38635330.22951277,29361592.2909389,24284641.58976845,28097319.63838322]
["Com_2604_pos","N', N''-DiFeruloylspermidine","C27 H35 N3 O6",497.2523,8.229,498.25956,"No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids and derivatives",25127508.46606416,24090515.12400424,27197384.54908428,23917442.64855607,24885163.85866428,22659102.81192109,25168676.77297183,25088822.99048352,25755257.90283495,591243.2804839761,24105947.7002347,26106342.12813368,20395081.17598181,20269450.80262846,21239407.52088937,37717763.17676152,32853803.14512108,33638363.81812917,24643013.5631497,26153520.37138849,24161537.04281296]
["Com_2658_pos","s7p","C7 H15 O10 P",290.0404,1.382,291.04767,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","C-glycosyl compounds",30047216.35750458,29046722.67816805,29615905.88347978,32786699.51566171,33038461.27225764,35423011.53489164,32524245.70693583,33975351.02559727,34843597.0190291,31255998.16329122,32207224.04366441,32968428.13284864,31731674.73601522,33175697.84966623,31770191.02232649,8081576.025845339,30171800.11583796,33475188.50547595,32280627.2549129,29322065.34447417,29502067.28267151]
["Com_2667_pos","beta-Alanine methyl ester hydrochloride","C4 H10 Cl N O2",139.03988,3.657,140.04715,"No results","No results","Full match",{"$nulls":4},25553045.0521217,28498253.23889248,34032357.07015925,28829383.32575422,24910349.06644404,25952191.25628869,28665725.94658515,25199284.79357349,25125725.54679159,24417951.28305433,23667851.29930869,26117093.17155492,20647285.72397452,24628004.92395773,24770708.07897363,21072724.64365022,27306465.93050913,21581344.27501931,27815166.8186893,25130023.42413053,27957847.48511474]
["Com_2672_pos","4-acetyl-4-(ethoxycarbonyl)heptanedioic acid","C12 H18 O7",274.10304,2.887,275.11031,"Invalid mass","No results","No results",{"$nulls":4},31906764.80862426,29425108.55967157,33330581.26664482,30477898.46112903,31141370.89280493,26995921.91627796,29003061.27301045,25635020.83002694,25552702.90222601,34009546.41286743,33442279.17919317,30056286.66210049,26847731.883747,23679082.74468519,25782559.69569258,28761868.52093753,25838691.81574342,26092680.82721616,26618035.9467414,28462166.88067949,27944540.56970848]
["Com_2684_pos","N-butyl-N'-[5-(tert-butyl)-1,3,4-thiadiazol-2-yl]urea","C11 H20 N4 O S",278.11358,5.363,279.12086,"Invalid mass","No results","No results",{"$nulls":4},12464632.6691075,11173820.76940423,12248622.26222362,11512123.00609022,13839214.52137288,10689311.28452605,31873797.0566233,35045906.34754125,33508792.43237361,22598526.55906704,21256368.33208363,21532690.02209013,15985765.18359758,16600075.94787816,18472388.71952959,30897239.2828113,33608396.53842926,32076978.66728025,20193147.6259771,22953732.16101564,21418148.0770798]
["Com_2698_pos","L-Threonine","C4 H9 N O3",119.05877,2.117,120.06603,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",30787964.61391954,31541023.08370626,32646372.76357961,24164056.98400204,25918555.30744551,24791605.60431692,29983742.21119813,33348933.82586056,30635711.01408673,23675946.37388746,23271943.80756339,25843055.38845932,30951787.10392112,28844825.93266649,28403935.2652511,28904034.04818569,29506401.84303287,26310513.55576006,28080444.0826417,29103522.78814514,27347451.4026472]
["Com_2734_pos","Gly-Phe","C11 H14 N2 O3",222.09997,5.226,467.18894,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",18383057.56323238,23336788.61828548,20785286.5842022,23672798.32525714,26232184.41898689,22743636.30454992,23749654.37379484,21330405.40685448,22252011.49244101,35818636.96448264,19713811.33084717,24194731.69263592,22432764.69641749,23975171.222463,28045372.64506251,23871657.36281139,23657137.68332233,27062534.43541061,21761214.0267813,22425106.67980233,18370980.82656908]
["Com_2752_pos","Eugenol","C10 H12 O2",182.0947,5.258,165.09139,"Invalid mass","No results","No results","Benzenoids","Phenols","Methoxyphenols","Methoxyphenols",25484218.29631121,26157618.04499029,28731925.04284639,24315990.31160202,22674115.66217519,25123987.31002647,22295672.70588996,33217109.49867277,23827214.83788601,28215750.85508821,24716787.67204782,28791385.66286995,21696384.96276299,20063385.81075014,19001632.08205562,27140055.43875268,34621761.23740188,28561536.29539326,25912841.4844998,24501671.29136686,23446050.21981935]
["Com_2753_pos","Isoeugenol","C10 H12 O2",164.08407,5.276,165.09136,"No results","No results","Full match","Benzenoids","Phenols","Methoxyphenols","Methoxyphenols",25484218.29631121,24695553.37498616,28731925.04284639,24315990.31160202,22763839.14154751,25123987.31002647,22295672.70588996,33217109.49867277,2309770.944174481,28215750.85508821,24716787.67204782,28791385.66286995,20262204.91621786,19092565.20053643,19001632.08205562,27140055.43875268,34621761.23740188,28561536.29539326,25912841.4844998,23387811.30555076,22627888.49104273]
["Com_2778_pos","3-hydroxy-4-methoxy-9H-xanthen-9-one","C14 H10 O4",242.05858,5.036,243.06578,"Full match","No results","No results",{"$nulls":4},19372511.6999812,21722004.20000839,32208889.65650853,23434575.09648744,21365316.92473478,21484183.26443953,19523765.45516103,17938929.9412545,18297070.62350396,20087141.62019296,19309665.48336747,19020301.86966963,15768611.3875902,15273781.16638638,17866611.80143081,20325199.26521991,19929762.03765544,20209060.79398591,19444920.0846467,19836908.06457704,20044403.78003356]
["Com_2799_pos","Patchouli alcohol","C15 H26 O",222.19869,9.795,240.23251,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Tertiary alcohols",9402666.79145632,9500638.956591455,9794294.966492264,20311357.57653303,19020735.79172789,20743022.29758044,23832761.93720296,14942409.3239652,15027949.29898638,22595488.57187505,23001676.32526978,18762326.58926104,19915949.78468955,23119989.27514661,21080668.84713042,28053944.02443543,24081563.82278606,20543412.61700213,22498294.7559193,27235762.73196194,31541339.63319964]
["Com_2801_pos","Nicotinamide N-oxide","C6 H6 N2 O2",138.04326,1.731,139.05053,"No results","No results","Full match",{"$nulls":4},27608082.80853687,27390797.77883101,28746344.10019892,32021554.70691518,32849120.13225386,34843337.00268012,28320322.72525671,25012313.16504585,24377540.40148765,23989535.11348807,23006120.00477972,24959252.38278984,18102967.42086977,18539049.27847293,18423909.21952236,14046023.03731656,13490441.61096703,13721120.80338115,25257354.9055623,13740919.04735124,22683134.6227575]
["Com_2803_pos","Docosatrienoic acid","C22 H38 O2",334.2852,10.405,335.29247,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",7266405.643123352,7770433.245808775,6287627.373126692,12689459.35310903,13645773.42208571,18996522.09219668,14455323.7753862,11085877.13301986,11480889.25927293,9078865.595986191,9169934.888018737,8801615.229152609,12949949.17756948,14452616.0259813,14353427.42209464,33915375.31120881,21709365.29566217,18989292.86562758,11815656.7359896,14948006.714484,15241564.08146734]
["Com_2826_pos","Agarotetrol","C17 H18 O6",318.10944,5.673,637.22631,"No results","No results","Full match","Organoheterocyclic compounds","Pyrans","Pyranones and derivatives","Pyranones and derivatives",23996608.53034736,16363305.26609765,5188047.259128742,29637522.03993184,21400679.02495737,23309706.9197762,24877311.3658396,3614006.792437509,26010083.03451373,16962244.84242928,14326709.36176372,19256043.18122048,19555851.34243087,2135248.186070916,4594551.294027761,23062125.3331922,25522271.87418227,19881883.69556903,23951987.1740577,19739487.12957343,31043853.34834155]
["Com_2847_pos","TNH","C14 H22 N6 O6",370.15591,8.828,371.16319,"Invalid mass","No results","No results",{"$nulls":4},28349340.08326832,29169637.71003271,31095315.47847526,17682973.8272262,17953027.72713497,17667026.71603315,14588286.86678429,14855738.34948984,16260363.82014978,16045086.18165331,15392143.06133148,15570694.44435008,15227479.40073113,15124404.46187843,15463776.79703588,16705237.214734,17494025.24033258,17188092.67379725,20026242.1572119,21004340.83099383,19275057.94390587]
["Com_2861_pos","PC 36:5","C44 H78 N O8 P",801.52891,10.57,802.53618,"No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",15583823.65904858,12079641.17015992,1137861.703460696,1077683.988819474,1045521.257272435,24467894.82570642,20387481.40001318,22350853.72748861,19615215.54600327,9977334.206271984,17873793.15331479,16559568.83539648,17254713.26192787,15463895.30235454,14897642.87217842,3044984.704502725,9403728.086914469,33099884.6775629,13832487.5436486,16741176.51005798,21748032.33787306]
["Com_2869_pos","Estrone","C18 H22 O2",292.14016,5.641,293.14744,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Estrane steroids","Estrogens and derivatives",27728524.31109608,27622460.15597405,30657976.07786171,22265533.06598008,21477765.05692912,22232266.10963684,28364671.03531495,28643250.21597025,30061745.15280012,19874977.31816937,22145597.81617014,21389820.21074194,23482365.59427857,21487334.94250986,21131457.46067829,21648183.17264601,21375561.26416821,20790783.32761829,24268119.7512718,23668924.46130418,19929675.34687323]
["Com_2902_pos","3-(3,4,5-trimethoxyphenyl)propanoic acid","C12 H16 O5",262.0821,5.441,263.08937,"Invalid mass","No results","No results",{"$nulls":4},18604293.99696912,26739922.87315252,25563248.56558525,24088171.16609801,26464367.26354684,23810450.03399779,30654245.41449989,29926484.89463204,28239393.36721944,23900128.01872459,24318664.73962878,24739673.32822683,29416871.90565133,31784510.33409169,32467231.71795312,31205655.6871834,32050557.80814963,31915539.72218301,30267669.899904,26259915.08235257,26213465.90413916]
["Com_2924_pos","Pilocarpine","C11 H16 N2 O2",208.12186,2.033,209.12914,"No results","No results","Full match","Alkaloids and derivatives","Not available","Not available","Alkaloids and derivatives",26109861.53969485,27551069.49055466,29777074.01688598,20035694.88495884,19998787.6092956,20479772.61286665,22675285.20244965,24494511.05761554,24790126.42142447,19457405.81771108,19613445.48319048,19507239.14894306,18540620.20039148,18750311.76312189,21292558.91224324,13616400.73709869,14183759.5892781,12402796.4322655,19626017.7588187,20953724.55824765,20063469.52232631]
["Com_2973_pos","LPC 18:0","C26 H54 N O7 P",545.34591,10.287,546.35318,"No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",3346676.664958117,3116254.042739201,3710465.522103414,8668115.331690839,10072166.48052573,9285065.465999443,11836268.56836616,7150061.174887995,8735715.440212935,9044806.521239048,7911160.799465097,8005938.388389971,8247739.374463663,9174022.39547808,10585866.60095116,30876706.03065254,18643366.40976343,14797878.79545963,9279323.2942686,10279729.86439108,11834061.03135766]
["Com_2997_pos","5-Phenyl-N-(4-(trifluoromethyl)phenyl)oxazol-2-amine","C16 H11 F3 N2 O",304.07722,1.467,305.08449,"Invalid mass","No results","No results","Organoheterocyclic compounds","Azoles","Oxazoles","Phenyl-1,3-oxazoles",11953265.00181264,11917807.83646191,11828570.38752218,14448270.52190605,13227844.35515916,16622466.92132225,10822800.77373611,11598635.00835478,10386658.00193783,8540910.480467228,9401897.19031468,8258728.882763115,11903683.30022532,7794785.006006081,31140183.51173536,12645526.99169314,11228753.14673635,8550124.079795906,8002783.75354959,12245947.5155048,11239331.5315115]
["Com_2998_pos","4-(methylthio)-6-phenyl-2-(3-pyridyl)pyrimidine-5-carbonitrile","C17 H12 N4 S",322.08819,1.468,305.08481,"Invalid mass","No results","No results",{"$nulls":4},12228250.78449325,12142511.74682468,12147877.28804072,14448270.52190605,13227844.35515916,17302079.83693422,11047795.36786123,11916636.27604466,10777006.8530604,8540910.480467228,9401897.19031468,8258728.882763115,12340179.36747975,20900153.56949167,31140183.51173536,13112443.3430478,11674548.72429818,8550124.079795906,8002783.75354959,12554084.76579226,11574876.26986489]
["Com_3042_pos","Aloesin","C19 H22 O9",394.12502,5.229,395.13193,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Phenolic glycosides",9936884.958461566,7331596.262222869,28190885.60908927,9474612.509740604,9242320.020825028,8001476.787954552,4896643.598633205,5571721.362934804,5669809.93808348,8776265.300472079,6819940.070227773,7822948.690721887,7655635.868062907,7204434.04740498,7236104.574861366,4402032.697749534,12912046.40145017,14765945.44824287,6362753.02252292,6384329.994126615,5913435.75277706]
["Com_3048_pos","2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid","C12 H11 N O4",216.04248,5.273,234.07623,"Invalid mass","No results","No match",{"$nulls":4},2892266.090901869,3425931.734923174,3635175.034343308,2728696.833051429,2448767.487083669,2506353.096440075,23930258.43680524,22127849.86453328,28580592.65803804,3456960.529038703,2411931.389516294,2240808.461576947,20557964.36470951,19647483.67753992,20785279.36840267,3089335.944488065,2924756.355515829,2101874.566588376,10108111.0438507,9515545.107656453,12687181.06761151]
["Com_3067_pos","Poricoic acid A","C31 H46 O5",498.33239,8.782,481.3291,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",8447419.783694934,8625761.274695285,6426102.179421194,6086003.584818615,8046743.499757385,8566147.444781145,7370502.166671586,9372259.956389062,9039700.481088774,7439070.469582521,8238852.022109349,8240967.401348297,6020969.724269276,6628259.824119695,7309196.676730578,29656869.84811975,24344538.26773962,22696077.30939695,11237581.4923686,8962390.505632121,10428524.93456283]
["Com_3082_pos","1,4-dihydro-1-Methyl-4-oxo-3-pyridinecarboxamide","C7 H8 N2 O2",152.05829,1.4,322.14967,"No results","No results","Full match",{"$nulls":4},26100463.79538768,25195711.97477585,27372428.33681997,23840791.65607958,22993258.40296392,22646492.64885849,28226727.8146471,28721186.10953858,27542559.08830177,20918935.5700219,21397499.32560068,20582126.70938253,22772381.5174568,21474690.3074042,21374469.79807113,17923129.52920296,17051341.89154615,18008454.05159102,23485968.5996078,23039608.9195803,21685985.12987081]
["Com_3108_pos","GPH","C13 H19 N5 O4",331.12691,2.195,332.13419,"Invalid mass","No results","No match",{"$nulls":4},23367948.96913202,25905209.6405769,24907189.07738408,23131375.08642597,20714118.09048042,21892358.04113756,17489433.1239444,18774166.085285,20788823.25928783,22603400.28331758,22907351.47761158,22225123.03948988,21118745.98272084,20688342.98110126,22029109.0567342,23398830.93807312,23891256.81702818,23179149.30436135,20277483.8545588,23617351.5879878,20725375.55737506]
["Com_3127_pos","(+)-Dihydrojasmonic acid","C12 H20 O3",212.14139,5.817,213.14862,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Jasmonic acids",7435158.120846355,8504050.450464977,8585545.097512301,9182383.49561246,7397867.032044681,8547948.148484142,4802631.209597078,9092396.148959666,4304777.947922634,1827119.195106032,8131347.968468091,29720962.26766682,8680147.311028209,4161271.395702134,4257952.704318674,6784469.912627237,6523977.932095168,7159688.40562738,8427227.89045505,8961176.626380209,7536112.25003889]
["Com_3132_pos","N,N,N-Trimethyllysine","C9 H20 N2 O2",188.153,1.214,189.16028,"No results","No results","Full match",{"$nulls":4},18587956.39311105,17409916.03507052,20228645.76536571,23011882.24963023,22955803.76101356,20357197.27352942,19148523.92661963,20451013.57372552,18162747.83487291,18417817.36638134,18086838.72514762,19616461.91628096,23420145.51313574,20085726.81190058,19756938.85612253,26339682.69318095,28920905.94342073,26867210.72110736,20702067.4080729,21559132.41526505,19854691.90679505]
["Com_3137_pos","Avicularin","C20 H18 O11",434.08641,5.527,435.09285,"Full match","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",24658101.14119742,25203362.81287627,27189959.05435866,19610853.9217152,19264071.09646069,19103062.90950391,24456115.74769918,22304423.76279644,23335178.28564313,17645797.69001575,18983077.63208932,17777620.22098617,19691696.87308771,17109277.16674128,21737358.92454319,18552410.77579549,19030831.29645504,18732946.68376913,24420263.7173389,17741680.38368084,19814918.09871294]
["Com_3168_pos","4-Ethylphenol","C8 H10 O",122.07309,5.432,267.13422,"No results","No results","Full match","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-2-unsubstituted benzenoids",3558678.965454132,4407983.980275813,5442046.531685629,5640984.90235173,3574398.912813048,5850963.067198,20145180.15559983,20372730.47317756,22362796.54676668,3541550.571064868,2906949.501252798,5418020.623793636,20542518.53172185,28271932.90170144,27635364.18367118,2362959.471506267,2188537.900537165,2559918.322197051,9197927.92113062,10606414.98072429,7560064.954217763]
["Com_3183_pos","Flavokawain B","C17 H16 O4",284.10534,5.457,285.11262,"No results","No results","Full match","Phenylpropanoids and polyketides","Linear 1,3-diarylpropanoids","Chalcones and dihydrochalcones","2'-Hydroxychalcones",20325380.08345451,24902284.18241892,25281028.11178642,24428886.26624379,26428500.30761718,24571034.83481749,26862983.44306157,23060756.81279353,25390982.51895355,22694541.11642153,20351889.45981057,24502324.30542201,21994316.02589432,17637084.59677267,18581369.5715754,23424883.68011241,3369664.106170425,25981748.89602399,23947599.339418,26943946.36113265,21083552.22432611]
["Com_3195_pos","Sanguinarine","C20 H13 N O4",331.08333,1.256,663.17444,"Full match","No results","No results","Alkaloids and derivatives","Benzophenanthridine alkaloids","Quaternary benzophenanthridine alkaloids","Quaternary benzophenanthridine alkaloids",23105245.35515489,24482933.88144094,24657812.21887724,29050453.42289361,24378848.58943218,21732667.97464869,17372283.37589331,19229707.69719088,19026207.92938102,22168574.45165941,20375133.66097994,17722035.56089073,17174403.89902977,14292914.3229717,17072165.95157854,11524090.22562211,10807777.0814251,13300411.55096322,16735609.6868708,17685215.36561083,16904715.57589234]
["Com_3204_pos","L-(-)-Methionine","C5 H11 N O2 S",132.0249,1.959,150.05871,"Invalid mass","Invalid mass","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Methionine and derivatives",14243916.2658611,15154831.34225227,15415085.37379546,19077221.75583428,21415268.44526871,19554406.80370238,17060481.01267974,18732978.21504712,17105359.25347839,18436213.40665189,19637857.85932394,19807441.11748979,16455338.30705042,17213405.55529613,17015630.3828378,25413996.04041246,27757895.33763888,25950049.62770617,20349424.3889629,18111486.40606048,16641869.78071148]
["Com_3207_pos","3,5-di(methylthio)isothiazole-4-carboxamide","C6 H8 N2 O S3",204.00403,1.309,205.01133,"Invalid mass","No results","No results",{"$nulls":4},24211853.25677151,22785238.50958773,26142479.29052937,22009810.19692503,23213612.12798708,23165971.16040891,18715342.6739562,19556864.40843434,18983019.36809425,16505606.55726313,15704801.68481535,17527942.832877,15555912.29018514,16384933.05664184,15437945.7563165,12217046.16195466,12455656.88675064,13197126.21540708,20785187.3625867,18849091.97693177,18769191.33673141]
["Com_3292_pos","Nodakenin","C20 H24 O9",408.14019,5.666,409.14746,"No results","No results","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Furanocoumarins","Psoralens",22577388.96214741,22670077.72294589,25356379.69555409,17270383.77519736,17500865.67016331,16035429.13896788,19410027.7484844,21649069.07584057,19857821.33194501,17283362.40649396,19411976.3771556,17052590.13926577,21995760.42615836,20816906.8412546,21819340.82120294,20517237.64045875,19393081.5834824,20625520.10640639,9596394.15847777,20499305.31599718,17356343.06954679]
["Com_3299_pos","PC O-16:0","C24 H50 N O7 P",495.33283,9.152,496.3399,"No results","Full match","Full match",{"$nulls":4},11079582.59863747,10274451.69282682,11112610.5523651,12484888.49479416,12929783.94824576,12660693.47944689,22016475.67149657,19586400.32732102,18844054.74749546,17814618.84376596,15640792.70377588,16158518.26373182,15127595.07223354,14071919.30244716,15263879.09041659,26850334.49089343,21411885.51752816,18608980.35870904,14212527.0587789,17274277.70353103,16172014.10644242]
["Com_3327_pos","Xanthopterin Hydrate","C6 H7 N5 O3",197.05422,1.114,198.06156,"No results","No results","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","Pterins and derivatives",16676249.595418,17701778.5966028,18825145.37139432,16878816.64752319,18119442.4766488,17521256.37318283,19560031.15324301,21665880.72362911,23063815.59993697,20700608.36085477,21559697.85927394,19254311.19682604,17805168.30128241,18832429.58442391,22037947.97647665,23892277.48944175,25222995.27168349,25907769.27406639,15111574.1274333,21967310.54415924,24646333.67929076]
["Com_3407_pos","4-Hydroxy-L-Glutamic Acid","C5 H9 N O5",163.04833,1.26,164.0557,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",20529803.12078385,21544891.67274499,22237488.59077121,24293163.61513108,24721513.04501941,24635374.45579941,24745936.93915851,24086502.68965517,23324302.51616373,22411227.75873912,21663350.97093094,22225611.03662063,22051829.92524216,22502002.86542746,22868885.07561632,20077078.75451374,20012738.17074525,18649573.22382071,22082824.7500896,22366534.90603519,20902748.88136306]
["Com_3427_pos","1H-indol-3-yl(pyridin-2-yl)methanol","C14 H12 N2 O",246.07859,5.862,247.08587,"Invalid mass","No results","No results",{"$nulls":4},19659820.2649712,20473239.12583674,20088135.00618488,21541255.17301913,22308061.68192439,23251272.00176072,19940584.1328777,22453661.15157414,21232770.25913738,24563022.6323288,20732400.9619311,21032229.41891585,22540809.44493753,24275101.7651624,24347303.78802818,20857287.0147149,22412854.6923262,23266536.45205064,21240342.8585739,21699208.64165696,23485201.65177984]
["Com_3474_pos","Oleanolic acid","C30 H48 O3",478.34556,6.307,479.35295,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",10956497.48610683,9079989.472198503,10681013.6508986,11625933.05280045,8402100.093464471,9160281.783461986,24061740.93724895,21157173.04835135,21660223.3338314,8139560.036355285,5821706.643928654,8200020.619870885,4797840.398248013,4923101.481748136,7148396.420424483,3425673.706070661,9509236.873137835,13258993.57829822,14547563.4641309,10186179.73040935,14094496.85761064]
["Com_3476_pos","N'1-(4-chlorobenzoyl)-2-aminobenzene-1-carbohydrazide","C14 H12 Cl N3 O2",289.05885,4.642,290.06613,"Invalid mass","No results","No results",{"$nulls":4},604766.7887249204,588574.4008225097,621274.9839648494,630811.724134698,623948.1452533965,613137.9209129587,23406405.2835113,24311862.48080649,22211116.98588849,620479.3543346463,590735.7334621836,634352.9481826926,605270.2891493674,595162.9585261032,780263.2803671343,614228.9610413691,609577.8495338268,573475.0383251212,2106869.29038631,1730418.336161169,1775272.941117315]
["Com_3520_pos","7-hydroxy-4-[(2-pyridylthio)methyl]-2H-chromen-2-one","C15 H11 N O3 S",285.04635,1.484,286.05363,"Full match","No results","No results",{"$nulls":4},20209498.19187508,17448691.77124196,19060699.28137667,23873946.35684121,21683188.90631416,24090300.41480425,19950655.80506007,21331533.45936378,23298339.0149769,20049048.42452827,20627987.03003426,1850224.516480076,20834761.61726404,20759413.56215665,22226505.38966045,23012897.72854321,19576486.13294471,20757432.92360906,21310629.2238664,21016868.93744004,18558998.64654778]
["Com_3530_pos","ethyl 3-hydroxy-4,6-dimethoxy-2-oxoindoline-3-carboxylate","C13 H15 N O6",281.0899,5.211,282.09719,"Full match","No results","No results",{"$nulls":4},13375252.1149978,13506959.59218781,22760180.58702844,6513591.002734718,12808062.17292794,9300233.733729571,11259421.69381611,13453811.02522053,13229175.99033438,9484630.297401443,9243558.410932338,7600280.229745506,8799370.041910367,7499376.371696002,8782155.119375054,8632008.354051298,10693931.04653851,9111456.900733229,10265931.9094931,8463980.747331379,13655357.16385512]
["Com_3539_pos","Curcumol","C15 H24 O2",236.17777,5.53,219.17442,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Guaianes",19937407.54747793,21284899.73586454,21663066.79765107,15632295.62303165,13440737.08971972,12631037.01713197,18086648.17148418,18197654.56383417,16638885.88433283,14092394.19729945,15395846.95718354,15738913.75069137,15758119.82873774,16385819.75191764,22441582.34205849,15577458.00024059,16473314.15913317,15452922.60532584,18120924.8591059,16992893.06490764,16053935.78832351]
["Com_3599_pos","(2E,4E)-N-(2-methylpropyl)dodeca-2,4-dienamide","C16 H29 N O",251.22532,8.438,252.23266,"Full match","No results","No results",{"$nulls":4},14751927.98459964,14739409.62462915,15854911.74867746,9854737.372194936,9756842.84170194,9735636.53147326,18223243.36223756,18006543.47650855,16771813.80216809,18592208.65414223,17184716.7029863,17738030.08425482,12513928.39191345,12456545.74910224,12322559.54051833,23387753.68333526,21107313.71325829,20666539.17979375,14389133.7047982,15710880.19608169,15532604.53686652]
["Com_3603_pos","4-morpholinobenzoic acid","C11 H13 N O3",207.09014,5.474,230.07957,"Full match","No results","Full match",{"$nulls":4},15931520.15410638,17214390.13639251,18972253.10350993,21666927.62969732,17475512.92138507,20328309.54977106,22530998.76738467,21042584.58087867,19002230.99967125,21374766.85364155,21901297.28665592,22237032.9536423,18518170.06015199,4455903.294459631,20082078.14840168,22764230.16236622,20312025.77164588,20877080.62120719,22660375.0272127,20141144.40451719,19488203.2422019]
["Com_3631_pos","5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite","C18 H25 F N4 O3",364.19302,9.955,387.18229,"Invalid mass","No results","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids and derivatives",8980372.039175017,9595604.59618764,9948499.612496609,10984245.05183923,12244237.12434252,11717428.08891843,13231574.73628619,12002935.95548393,12381574.18166214,12289173.39771313,12166380.07546545,13390146.51522401,12783296.26943095,14366251.9660323,13347120.92682264,23075587.4750845,18869710.66630585,18103579.63941994,13968932.2812846,14639360.56843735,14133895.93397561]
["Com_3639_pos","Docosahexaenoic Acid","C22 H32 O2",345.26475,9.123,346.27202,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Very long-chain fatty acids",7485940.129919324,7312785.831521682,7947310.0873899,22352866.27945241,24084307.21607634,21070503.50652536,15970759.81902771,14902583.97998721,15109490.41581385,17400866.18244439,16755930.89641007,17394957.73234687,20687139.39836872,19690170.64847273,20633149.00101928,17933956.55945776,15796806.78954319,15276329.15177249,15429921.6360876,16767266.53187145,14899468.80395564]
["Com_3649_pos","Artemisic acid","C15 H22 O2",234.16218,6.152,469.33139,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",18576958.03121716,19550864.99295016,21593499.61246575,15671155.3303813,16793060.98106473,15795848.31387057,879867.2843153365,18498574.89289617,17507678.60707442,16716559.02718391,16932079.02483147,18491234.94162285,22922302.02666992,21384124.80514734,22676857.28826719,21249426.57633595,13971755.89570397,15052916.92280886,17373026.7221544,18705912.78968576,17975567.64594116]
["Com_3658_pos","Obacunone","C26 H30 O7",454.20772,9.57,455.215,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Limonoids",5205545.862691843,4250413.606163359,5912599.883205417,7005403.332967427,7130765.155052915,6537436.973433323,12532027.70871553,11108746.32271875,15003447.65517866,10493629.50646809,9579691.86034009,4215579.472719981,13668771.83145622,12767866.3171122,13039205.15469949,22863608.00491394,21148559.719937,18383108.40020637,9523303.90282506,11037743.89126529,10942860.60980676]
["Com_3676_pos","5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one","C13 H22 O3",248.13945,5.806,249.14672,"Invalid mass","No results","No results",{"$nulls":4},9126078.138969012,11289623.89928072,10455860.26876374,8525561.60455421,8882473.387019424,9141778.607596586,12241356.88101686,11345735.92367729,8023634.450515195,16680649.66171357,16670502.45877808,11645827.62310127,19879069.41714567,16675559.53683579,17458285.59127944,21966981.50831653,14309274.14586274,22989997.27113271,13299335.5818142,13311292.7852993,17339537.08535979]
["Com_3710_pos","S-Lactoyglutathione","C13 H21 N3 O8 S",379.10496,3.187,380.11224,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Oligopeptides",17903798.51521805,19881649.08087466,20719858.73785672,16230767.24287389,16256479.93645383,17117990.25052556,11886146.84799084,11566813.20560601,12802023.67072217,10608990.20736195,8703221.334615085,11251995.81712466,10184155.85330305,9535778.46064769,8982395.00016445,7786445.187530184,7006333.504022018,7345948.986313559,12686945.0449244,11895254.24922072,10482669.7114602]
["Com_3717_pos","Xanthurenic acid","C10 H7 N O4",205.03794,5.233,206.04521,"No results","No results","Full match","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","Quinoline carboxylic acids",16768750.30134593,17894834.03141226,10020705.83294151,13396328.81290011,13876114.75519417,13376319.73182491,8907239.221669376,9530933.422231048,12291639.30829804,12497651.48132669,13623612.06982428,12024444.97222894,8579005.19577539,8750768.405070579,7813722.84411792,18660021.94103985,18133062.94907666,22572509.75658397,12435981.1737034,12999937.32113443,12340654.9773805]
["Com_3732_pos","9-Hydroxy-(10E,12Z,15Z)-Octadecatrienoic Acid","C18 H30 O3",294.21906,9.402,611.42841,"No results","No results","Full match",{"$nulls":4},5709826.129959139,810066.5141210484,866794.3490409837,872177.6984239753,10691261.17356736,12200523.67311585,592894.4705344712,3310086.22441516,1625231.801257026,8812315.59566794,4065673.312158354,3494043.471853815,5585459.95804317,5156774.013704651,7659988.532421515,3808181.203502746,22199032.43815637,14260411.52496515,3208384.00528569,2066065.326536762,4102733.558121335]
["Com_3757_pos","Methyl Dihydrojasmonate","C13 H22 O3",226.15758,5.612,249.14679,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Jasmonic acids",2827569.67043963,11289623.89928072,3097930.80214934,4545398.800834313,4478998.091831706,4203157.064043319,8247343.219645857,11345735.92367729,9080577.209525336,16680649.66171357,8211760.403577635,8843977.069952847,11537561.31722791,11202010.5942205,10509570.61461635,21966981.50831653,14309274.14586274,10739770.50968427,8848459.42052874,7340239.395833895,5588564.228657495]
["Com_3768_pos","Demethoxycurcumin","C20 H18 O5",338.1158,5.554,339.12308,"No results","No results","Full match","Phenylpropanoids and polyketides","Diarylheptanoids","Linear diarylheptanoids","Curcuminoids",19144303.46524192,19341749.07596048,18908241.75775577,16490080.01016049,18373360.8383924,16183157.1570538,20142510.79952716,18095111.32133251,17039595.15468586,16431887.38014577,14306171.42601748,15391307.01437394,15398463.78092666,14392084.3569298,15766535.27548124,15721714.74002906,15560360.9828242,16311997.2305254,17504908.7700768,18706646.12099824,14309964.71401509]
["Com_3769_pos","4,5-Dicaffeoylquinic acid","C25 H24 O12",498.12107,9.433,499.12835,"Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Quinic acids and derivatives",12980002.07787588,15795216.16652624,16555497.89963758,13631062.52848348,12631302.68666961,16514125.6680333,10241035.03489898,12587442.57343857,12883909.55237365,14788452.25087122,12014528.23807963,11579158.71768462,13666223.21232441,14931304.37447389,22238020.75944244,15012973.82695826,17899067.50675409,15545465.46170618,17594361.8529214,19164609.36816715,18128287.47385766]
["Com_3775_pos","Coumarin-3-carboxylic acid","C10 H6 O4",190.02709,5.169,191.03441,"No results","No results","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Not available","Coumarins and derivatives",5218658.682987406,5215904.272978498,4472937.819152254,7060564.367754212,22766686.23901209,5507721.928771006,6028071.257707164,5484854.355180561,4071688.756901329,7157887.789977914,4886802.393658775,6248208.37897893,6096909.83360963,6559227.305418661,6477327.336570443,14864849.60124088,8481897.72838831,10804625.29023057,5233895.37343628,6413019.332781941,6600219.839851351]
["Com_3776_pos","Fragransin A2","C20 H24 O5",344.16279,5.47,345.17003,"No results","No results","Full match","Lignans, neolignans and related compounds","Furanoid lignans","Tetrahydrofuran lignans","7,7'-epoxylignans",15802606.37185444,13365782.34227826,15801495.28082897,17584050.39836538,14753968.42488117,13801529.58527612,18200484.66053277,16297591.16526149,17680123.82413931,16466765.17326226,14972512.56755778,16861041.93562366,13337134.34193664,18176017.52842732,14148051.30808876,15616586.96400145,16057841.06241499,16138918.55995661,21107197.638632,11948900.36229174,13024453.30182282]
["Com_3844_pos","O-Phospho-L-Tyrosine","C9 H12 N O6 P",261.04018,1.416,262.04745,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Phenylalanine and derivatives",18670620.28480332,18190735.99182192,18108306.03120953,13374469.40149578,13614158.08995742,13411957.83184837,12981447.96592591,15943848.1127312,14118381.74420174,12155948.14659468,12338531.05276743,11176494.32882911,9775432.89074007,10870730.23461032,10231414.05332301,9699986.83718044,9037589.369533569,9352755.081927389,13754378.1144417,13040229.7635062,10631849.79555712]
["Com_3863_pos","3-hydroxy-2-(3-nitro-4-piperidinobenzyl)propanenitrile","C15 H19 N3 O3",289.13944,1.293,312.12883,"Invalid mass","No results","No results",{"$nulls":4},15763514.17848954,17202606.01645273,17650447.93187269,13921386.90889386,12741644.05839643,15458143.46016902,20349672.42874128,17567647.51370786,17385814.10702363,18315741.34186103,19387590.59445428,18581846.65502171,12918028.44029341,13136069.13283735,13649075.04159029,6251386.598260589,7989588.910898536,8452968.554412799,15453526.7817815,9889776.728853475,14222952.51760004]
["Com_3948_pos","Phylloquinone","C31 H46 O2",450.34788,10.866,451.35516,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Quinone and hydroquinone lipids","Vitamin K compounds",2179232.609788153,2390804.098961575,2277721.411555102,5054297.492366525,5023606.021570909,5114561.727175031,5629874.136670573,3878783.220685811,3823050.928447417,2956211.417135382,4273928.845331321,4229739.353202723,5139656.880094018,4892472.60472387,4705975.752995346,20306984.25757184,12760843.31683645,10632851.84233456,4941749.50086058,6236276.261498077,7107382.555066004]
["Com_4014_pos","Palmitoleic Acid","C16 H30 O2",276.20915,7.834,277.21643,"Invalid mass","No results","No match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",8908001.671887409,10051217.96839115,15113652.28007449,8579371.709459234,11013110.83296779,11350475.27392162,13534161.0171264,11246578.64256743,12644635.9084424,20327342.57847284,10338484.43932364,16567588.3393372,12188751.66367566,15051865.53431072,17216295.53717424,15146837.86939473,18216059.763002,16016764.25913054,12094318.2805757,11027987.64932037,12177178.04359054]
["Com_4045_pos","Troxerutin","C33 H42 O19",780.18045,11.157,781.18773,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",11898151.3035136,8873817.369870614,8872638.270630453,10375773.21342293,12969475.17072673,12364721.02778973,13421605.69879416,13020001.01222999,14987472.06308427,16631905.76587914,9082283.794425748,14806372.7024279,15163908.95898074,16565776.15934408,17652874.48737259,17396897.9219172,18992028.27362584,16747255.98324314,13270066.4857313,13034597.50720574,18200052.22138376]
["Com_4048_pos","Citramalate","C5 H8 O5",148.03753,1.322,149.04484,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Hydroxy fatty acids",11693105.8693164,11620297.20479173,12995743.35213099,14781330.48347576,14409483.55071508,16572367.4267996,8451941.649671394,7746579.43022601,11958497.88305657,13712510.02842372,8564483.578904804,8251673.254630233,11435673.20948613,11777124.97222733,11135250.78458592,19552657.31904298,10345222.7161301,7344394.768263668,11271640.8325133,11711281.71347104,11236236.42076675]
["Com_4100_pos","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen-4-one","C16 H12 O7",316.059,5.862,317.06628,"Full match","No results","Full match",{"$nulls":4},1674510.180349194,11810322.15368119,12653975.23134037,11467781.09275019,9807569.3353541,10808708.83880436,9309122.283237947,10428372.56367784,10415092.83469321,11124543.10252197,10470723.80323504,11098416.29333213,10253276.83657881,10420640.1343374,10741891.39705122,10324252.19956271,10217388.78933027,10128923.7108735,11707832.7214208,18387799.97040613,10513747.07139432]
["Com_4105_pos","Germacrone","C15 H22 O",218.16711,5.533,219.17441,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Germacrane sesquiterpenoids",15968389.63880739,16926531.27942074,17573443.97331193,14423852.21128259,10276654.72663856,10145600.31727025,13848930.41846309,16673360.47188631,12874238.39549685,14092396.4402837,14133495.69241642,15738913.75069137,12652604.98954646,13175076.93958467,12286566.54080606,12887885.85146831,15149385.79097976,15452922.60532584,14246173.3534399,13618721.49921193,12574995.89549505]
["Com_4109_pos","Catharanthine hemitartrate","C25 H30 N2 O8",486.1993,6.018,487.20658,"No results","No results","Full match","Alkaloids and derivatives","Ibogan-type alkaloids","Not available","Ibogan-type alkaloids",14647371.09719848,14232019.11757443,12918453.26575325,10924509.74602985,13467854.65695091,13232902.95521427,16759719.48289336,14965061.88733869,17135582.57625913,11174427.36429707,12220557.81497989,9003175.575166702,16090140.18452325,14106998.87334763,16050430.1623648,18884096.14705757,19075361.02000497,16852181.18733734,17637662.1712837,16153178.53668098,8717950.419809083]
["Com_4131_pos","Ginkgolide C","C20 H24 O11",440.13296,5.674,441.13969,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","Ginkgolides and bilobalides",14720651.48463409,12901232.8817585,17837428.55728059,11087947.73870189,9998685.43871526,8808859.38363,17679552.29981037,17963502.31891364,14155613.33028957,9849905.775517656,10322631.68497325,9024580.32185752,12015097.00974262,6451233.661232039,6053990.583599713,7598771.498126728,7798540.288163543,11723182.15653235,14610704.6174587,10638408.5351948,9884883.33093903]
["Com_4184_pos","3alpha-Dihydrocadambine","C27 H34 N2 O10",546.22094,5.185,547.22822,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Pyridoindoles","Beta carbolines",7083689.969647597,6267237.133772148,8398579.01135339,7988390.538204976,7684199.063528987,8420467.179981414,7201078.078464125,6370747.102687383,6538972.513743556,7073502.082094431,6833035.480984479,6982408.852469486,7715881.442350024,9548355.825153194,9078411.507136248,16666057.14503545,16222628.74871894,18753366.14740824,10997799.9325546,8640073.420655608,9724923.120973598]
["Com_4210_pos","Abscisic Acid","C15 H20 O4",264.13652,5.206,265.14379,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Abscisic acids and derivatives",15537542.08254332,16298372.43515501,15716338.13002046,16743927.44805729,13311233.65846464,15960718.02043582,17545171.15982554,15097672.75320331,15012822.93309404,15111567.61173202,13390592.18153161,13728991.5389635,14390871.47260663,15804108.03376222,16012408.54386176,16573465.2857183,15896469.68258833,18059934.54913956,15420825.0629415,14488821.8143644,13096861.87395925]
["Com_4277_pos","Tenuifolin","C36 H56 O12",680.37879,5.957,703.3689,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Triterpene saponins",11744116.20621371,5294813.541011814,4094034.00220257,4699793.857832715,18934664.13749497,17441643.25178201,10566151.41585533,4639068.486609813,11990973.22757176,1110315.40313744,2069891.861599417,2202495.770154908,14081172.39943518,7625888.333717727,7962793.823686077,2497429.503456993,3273454.613226235,2990332.184743774,5724047.45602339,2767370.041217166,5911741.031596711]
["Com_4329_pos","(3S,9aS)-3-benzyl-octahydro-1H-pyrido[1,2-a]pyrazin-1-one","C15 H20 N2 O",266.13714,4.846,267.14522,"Invalid mass","No results","No results",{"$nulls":4},1115237.461917737,1135484.674769428,1206617.031378638,1178184.643136835,755202.5451494784,1168510.778066577,1813339.911070272,903497.747380594,1657515.994431348,1383796.933800828,1420015.297150045,1355894.507343289,4501732.909538602,17658645.88507202,5604479.776387586,928375.2897696586,945537.6452084532,943277.9979871856,1887840.76396872,1307097.336233303,1886958.431450633]
["Com_4360_pos","Pheophorbide A","C35 H36 N4 O5",592.26913,11.426,593.27641,"No results","No results","Full match","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Not available","Tetrapyrroles and derivatives",9400636.939346794,8808600.171926493,11156834.56319283,8530726.317894135,7450123.365083258,6630328.624387482,7448351.256466617,17142467.49393799,7354277.302587179,7742634.423787495,7872940.798100456,8107593.377563164,8279912.715970571,8755845.309047893,9105993.943775265,8380035.928718416,8096533.58328842,6442845.74761496,8870363.38329114,8817390.6843326,8186610.722392777]
["Com_4378_pos","5-Methyl-dl-tryptophan","C12 H14 N2 O2",218.10578,5.598,459.20071,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",13088281.48892489,14006832.07549717,12354924.13359984,12854560.48834369,11943961.09461844,11380728.33081946,15721218.98560586,14277811.310891,16621115.0351812,13421940.34922237,13818580.43981596,13594749.88761923,13213315.65724938,11469959.42113889,12690878.22214824,16667079.53090747,17311173.74758643,16437814.68122867,13380930.6746742,14842508.05290569,12746158.50689528]
["Com_4385_pos","(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid","C15 H24 O3",274.15481,6.764,275.16209,"Invalid mass","No results","No results",{"$nulls":4},12861600.63144056,12841343.83817732,12515381.79841495,15872130.27579886,16688690.62457572,14964870.4319399,14935411.87322094,15358855.95043677,13587333.51253602,15996303.00130399,16117322.58302262,16389915.34560216,15913166.8194548,14196596.19578574,14542562.17539697,17321384.08715808,16095851.29811127,16275853.22605484,15135531.2043717,15139345.0385098,15396625.39400309]
["Com_4388_pos","PNH","C15 H22 N6 O5",344.18318,5.721,345.18928,"Invalid mass","No results","No results",{"$nulls":4},4196241.323043748,4862051.906363399,4508566.724242482,4113066.988703151,4787952.065153413,4606878.123087242,5250975.575880105,5518874.048695011,16552048.76188971,2422038.129473757,1594790.088144572,5503783.836830014,4032373.440984318,4311320.106083798,4804618.812767855,4686219.094966027,12977972.49611418,4813351.511463038,4727867.85850175,4200622.110206298,4146642.923814084]
["Com_4422_pos","Boc-beta-cyano-L-alanine","C9 H14 N2 O4",214.09591,4.835,237.08516,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Alpha amino acids and derivatives",13439738.55407367,15176216.84983018,14474575.90587634,8942700.920414796,9135116.312493728,10413749.80457968,13030622.53869234,11334670.09597807,4998880.622992144,11580923.14268934,13771408.28734265,14006924.35040165,12003322.63420782,11154072.94613198,10826301.1230728,12061407.27654123,11276657.39230303,12223571.42298674,11012992.0597868,11362668.37256264,11860172.62556448]
["Com_4428_pos","10-Gingerol","C21 H34 O4",350.24598,6.892,351.25325,"No results","No results","Full match","Benzenoids","Phenols","Methoxyphenols","Gingerols",13394060.86255633,13887923.84624428,16093088.06656511,14031061.775221,14964622.9156648,14170811.28770921,7819282.117797147,14417608.02677436,7084482.845891337,10992033.67992472,9747814.9567276,10860805.69037632,6527500.105519366,11093845.76904971,11616622.44454562,7367574.856202716,6585788.245672163,6370335.02127232,13864804.5755525,13367654.48101697,6577558.626108515]
["Com_4430_pos","PLK","C17 H32 N4 O4",356.24288,1.377,179.12884,"Full match","No results","No results",{"$nulls":4},13966123.19964982,13938916.10754886,16070444.20751302,13863464.1998694,13538135.25308429,13782431.29805013,15887063.17544833,15314924.35074536,15104346.98216696,13434327.18787761,12469354.38104885,12547395.58657869,14560440.98091042,13790231.63771117,13200013.5126928,11722498.89288637,11705028.05069269,11207865.23494646,13692453.8750651,12717809.48431556,13786766.19942398]
["Com_4439_pos","3-Hydroxyhippuric Acid","C9 H9 N O4",195.05366,4.947,196.0609,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",1523950.075877208,3090448.149079639,3616994.322459116,2162411.412931388,2104860.640775557,2162272.285599201,4467304.577925466,4260735.669892862,4010480.477357979,1489657.40450236,2717358.831399618,1692954.78462665,17243338.52568232,13657414.6898464,9895828.916344184,1456546.066610567,1508350.139044183,1416395.466626309,4419675.88242908,3626501.095233106,4536143.229571612]
["Com_4444_pos","4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid","C16 H26 O7",330.16781,5.804,353.15696,"Full match","No results","No results",{"$nulls":4},9314568.145223266,9796690.445691504,9621495.327463258,9388684.676176876,13499806.75287112,9298222.75124884,16482935.16015936,6485771.164359566,10802581.61384604,9547776.350744138,9390700.707790513,7325277.809689357,7665305.970783102,8100116.859555597,7690249.637558019,12492772.00838709,13063831.18896753,10616625.82195107,10199690.3762241,9813501.260858689,9779656.768336115]
["Com_4452_pos","Dihydrotanshinone I","C18 H14 O3",278.09507,5.438,279.10235,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Tanshinones, isotanshinones, and derivatives",13370525.64731912,11938901.71616566,12500159.89381449,12150668.26665643,16736762.9615354,11827120.68344003,14518315.67529088,10817779.46668852,12853882.2890006,12695284.60669014,9584502.808366269,12401474.94985035,12021247.43784308,12004079.73160199,11523317.65558761,11848806.14323084,10780836.45463929,10563199.72556204,16469957.7704143,12847356.20650861,10014949.73818354]
["Com_4483_pos","Embelin","C17 H26 O4",294.18221,6.798,277.1785,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","P-benzoquinones",4488260.591195334,4862909.81843082,5055612.95505684,4726415.419059017,4482349.396850264,4462025.302330403,16300059.83164884,6098852.733491439,2553785.03547245,5651527.289935687,13466991.40897985,4768607.977801273,2244195.364775627,4661155.46979335,4342980.046043786,5122230.56633825,8885709.976474764,6275715.827443765,5881338.7202168,5540210.569395093,3693893.397000187]
["Com_4488_pos","PC 17:1_17:1","C42 H80 N O8 P",757.55821,11.381,758.56549,"No results","Invalid mass","No results",{"$nulls":4},6819454.847816696,7850349.951704414,1177173.559534608,1068256.134900848,1143163.283669291,1500203.243537336,13391653.53690688,14394288.48634214,13487486.12966788,6764315.634313965,8704722.092186302,12340178.11994621,10096580.94578013,10516020.30697169,9275015.603780206,8362281.179438096,6087787.90037341,2453863.018368369,11734735.9208662,10090359.88759987,15609319.02340146]
["Com_4493_pos","KKK","C18 H38 N6 O4",384.28583,6.113,385.29311,"Invalid mass","No results","No results",{"$nulls":4},14822622.78915213,13454236.74277778,12477801.47499515,2966556.621800976,10602108.34052317,9529179.21035718,9258391.66566712,9910910.36236196,10544770.84990498,10317363.11381602,10900039.47278434,10583879.10795132,13151639.29663113,9836531.254764687,11560173.0117304,11183677.7447829,11218508.37871057,11364231.44841397,10163723.2420084,12366613.72661792,12329191.50338292]
["Com_4495_pos","Prim-O-glucosylcimifugin","C22 H28 O11",468.16097,5.425,469.16824,"No results","No results","Full match","Organoheterocyclic compounds","Benzopyrans","1-benzopyrans","Furanochromones",5198951.848199409,7477197.892757917,6037100.467807943,6395461.721078049,7179356.623655079,7596601.207633613,9407235.289280416,16388432.6539002,1527197.110883799,6570053.245691746,5407503.546948604,9092279.321969835,6674698.763763144,6585673.470649348,7229619.308815,669031.6634199384,9867325.45321419,7194540.174052258,7571912.37749253,6493722.609719983,7642064.241456409]
["Com_4544_pos","Gly-Tyr-Ala","C14 H19 N3 O5",309.13265,5.213,310.13992,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Oligopeptides",1557430.800272251,1544383.323904764,1699763.637731735,1889025.712664309,1729948.638979405,1725030.114295041,8137571.395016302,9476334.377297906,15826508.967203,1652594.701890633,1631589.045978806,1893994.003303238,6426551.842739861,3263948.359517629,3128923.736650157,1607144.72131441,1520995.236070367,1653757.84183942,1627500.72382883,1683136.566435604,2174674.904322468]
["Com_4550_pos","Isorhamnetin-3-glucoside","C22 H22 O12",478.11124,5.578,501.10017,"No results","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",13090375.72079026,12774140.24249872,11410991.50086826,16476385.18337993,15545509.65136092,15634732.49858588,12184139.60656741,16192886.56010643,15470646.39962142,15324038.58507681,15699876.24098682,15623378.3101815,12018946.72069376,11906827.23719718,13604233.75467042,11377066.41498799,11445808.96253606,11937722.68589927,12094519.5251713,12260087.95533921,11337945.20964593]
["Com_4554_pos","Ligustilide","C12 H14 O2",190.09888,5.463,191.10635,"No results","No results","Full match","Organoheterocyclic compounds","Isobenzofurans","Not available","Isobenzofurans",8473130.557340872,9371542.430591336,13066247.18298369,10879095.33577669,9057104.112262623,8422365.637487734,1318203.180691157,12656785.22315997,2232937.585977289,11549179.80586573,8603215.511689529,10310592.69395455,6957686.657706148,8539437.832313776,9972949.08274598,16508286.80261731,10520884.2988269,10731280.88217663,9524751.9715378,9373665.636727368,9810398.383972758]
["Com_4636_pos","3,5-dimethyl-1-phenyl-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one","C18 H15 N3 O",289.11669,1.312,290.12397,"Invalid mass","No results","No results",{"$nulls":4},1220929.224120038,4561188.770515616,4187463.47482888,5989732.556413174,6156471.865270708,7329444.922536529,2502175.454932288,2421425.004897153,15332231.09401789,4043919.765076903,5950973.563910431,2482612.87053655,2314413.595854109,3043293.120134143,2590889.692306737,3782706.390217357,4008976.416012744,4885306.393333291,5228329.95361084,5566377.080924419,5678313.360473862]
["Com_4655_pos","Threonyl carbamoyl adenosine","C15 H20 N6 O8",412.13458,5.208,395.13123,"No results","No results","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",9936884.958461566,9626530.009990824,9742519.420435555,11180706.30406582,11042976.31465806,9960289.368998691,5800187.109941768,5930555.506115209,5669809.93808348,8776265.300472079,6819940.070227773,8689733.219612027,7655635.868062907,8259220.478205869,7443915.900568754,4402032.697749534,15807137.09775562,16072612.30026323,7943026.37280769,8363040.362335145,9271185.335443692]
["Com_4662_pos","GMP","C10 H14 N5 O8 P",363.05833,2.069,364.06564,"No results","No results","Full match","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","Purine ribonucleoside monophosphates",12443928.25069413,13838991.26457293,14363039.19651514,12506378.69147487,12757869.0059267,12157491.80348385,14008026.76169752,13411932.63672022,15190462.31208224,4278937.170205942,11612822.81838786,11793625.82459257,14343140.25939097,14652816.21569055,15957787.63522025,9720155.03590944,12403194.99038226,6801262.553436996,11534827.0477823,12912948.13629846,10245697.47363017]
["Com_4701_pos","Santacruzamate A","C15 H22 N2 O3",278.16345,5.496,279.17072,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Gamma amino acids and derivatives",9986079.62402174,11334933.04536306,11629731.29378119,10334162.60981963,10291253.32939315,9612594.568000983,13127529.72060549,12332415.38480977,13414288.22444858,16029376.69999806,12444962.04606305,12524377.34512486,11478044.35351831,12706011.2029677,15293272.91735057,12542090.22830243,11734160.44540929,15293401.68881017,12716968.5762924,12381935.28737278,10938285.656947]
["Com_4708_pos","alpha-Zearalanol","C18 H26 O5",322.17717,6.048,323.18422,"No results","No results","Full match","Phenylpropanoids and polyketides","Macrolides and analogues","Not available","Macrolides and analogues",8104484.60285018,9595955.76202077,2605472.702246303,8580190.160685772,7131455.735388662,11860038.11551996,9093329.604560755,8462718.328491962,7795984.85614493,9634462.70847296,10695554.85212622,8569831.82540108,7061167.306527884,15426622.83099388,10181392.22328542,1140995.422637043,12113153.44166567,15759482.34612267,8478606.08195558,8016188.674172625,14096348.88183011]
["Com_4734_pos","AL 8810","C24 H31 F O4",424.20751,7.912,425.21479,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",13098252.1761313,13240660.18221162,11101419.09971168,13757278.73620714,13971760.7261839,13137656.78278393,13940804.13691814,13530636.67456371,13236938.98755108,13778122.25050891,13352881.30410172,12317117.24609856,14194936.7234991,13256829.97560442,12956655.02725624,13652132.37455492,14065311.89670954,13888590.44777271,14911316.3039073,13478270.68675988,14386560.38883649]
["Com_4748_pos","trans-beta-Ionone","C13 H20 O",192.15163,5.861,175.14825,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",11808908.80578174,12426349.53608544,13344603.00680002,13173812.10083654,13379284.00088523,12903986.79652357,14090411.20902517,13542245.50266739,14739905.36442506,11909841.90905137,12234769.77106692,11644742.32952109,13045995.98788576,13245701.91515476,13654168.12534675,12162412.72642367,12687573.2995886,11706707.7391155,12886321.1457811,12698102.81991622,12599282.66180985]
["Com_4755_pos","Mazindol-d4","C16 H9 [2]H4 Cl N2 O",288.09594,1.385,289.10329,"Full match","No results","No results",{"$nulls":4},13318385.86197295,12020714.30948391,14490855.9786204,12577748.55459149,11066786.76121722,12041820.40018074,12485234.35288944,12837496.18862565,12602149.388648,10936257.90791591,9803733.856272062,10478777.57899674,11076741.37580648,10617603.10296843,10959496.50850447,12635042.95726264,11339400.6951907,12227524.55233205,12545588.1969359,11871724.64255339,12179250.87553192]
["Com_4762_pos","Proscillaridin A","C30 H42 O8",530.28604,6.777,531.29332,"Full match","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Bufanolides and derivatives",13055907.35515187,12077245.36588438,14446657.46664249,8707363.40143129,8521458.928384954,7852106.876921182,7356988.990601725,6225256.307851706,7709437.505875117,5407437.651453053,5662349.173681385,5650468.01351998,5391705.835772462,5488387.421798214,5316130.539986013,5047961.798619932,5333974.914702183,5338945.341961846,8497318.09446279,6897784.91663039,7469477.232280347]
["Com_4775_pos","1-adamantyl(piperidino)methanone","C16 H25 N O",247.19192,8.057,248.1992,"Invalid mass","No results","No results",{"$nulls":4},9422961.178918969,12855499.78723831,11816593.15099329,2134417.818241669,8658650.52510636,8591732.364448821,14449610.0372694,9224149.068439892,14280951.6154379,15352925.16262384,15192621.49009409,15649722.61336821,7218491.879383313,2246090.039465187,7039512.034033228,13542394.20114857,10161226.25715538,9886287.266805207,8172646.03946723,7856452.089115093,12324144.05437823]
["Com_4805_pos","N-Acetyl-L-Tyrosine","C11 H13 N O4",223.08478,5.196,224.09224,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Tyrosine and derivatives",3494029.442085132,2003099.343780012,1883314.175585381,1881732.772144275,1967051.492125689,2154075.539531654,14059377.27761377,10982261.06705584,14538788.98921262,3111099.848415136,1970518.724737385,2416990.353564332,10456004.77509987,10796798.81947833,8555244.860228153,1700985.154780117,1895966.747518455,1829655.499885219,4250055.02614162,5275332.900657787,4401090.509569616]
["Com_4841_pos","Minocycline","C23 H27 N3 O7",457.17929,1.398,458.18658,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Tetracyclines","Not available","Tetracyclines",12379491.14192996,12598066.28752049,12365862.82325945,14736607.43930328,13967977.26019029,14732656.55871362,13013829.53453794,14055570.84981086,13365521.16864735,13951214.76806009,14052250.94191495,15368886.09796014,12267841.68895687,11950425.06777138,11918467.0376255,9900029.9485744,10310008.57060047,11406472.85723834,12781277.5945339,12579172.16937776,13561364.31976019]
["Com_4900_pos","Lipoamide","C8 H15 N O S2",205.0589,1.378,206.06641,"No results","No results","Full match","Organoheterocyclic compounds","Dithiolanes","Lipoamides","Lipoamides",13046138.48803772,11248617.37111033,11936047.99615316,11677170.44579009,10763376.746104,11854328.76184102,11172650.54606232,1906445.313201277,13292535.2330772,10625370.90189589,10248627.24968875,11553131.737272,11915122.82684234,11838163.21399654,11391904.40862492,9856155.451438284,9589918.296130275,10157684.01446063,10459992.8588678,11309206.99298384,10756445.37996262]
["Com_4941_pos","4-p-Coumaroylquinic acid","C16 H18 O8",338.10143,5.509,339.1087,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Quinic acids and derivatives",5470049.567554181,4107849.942398951,4321341.248978822,2404732.202341459,15224116.50673965,4730048.027504939,1311511.84665035,4625884.746921089,4267236.641061924,4371254.698217791,4001754.072521037,3017213.564894502,3450361.236490493,3750480.536025447,4068412.664831151,4263884.655798203,4270993.100597414,1312539.452951142,3500219.88718248,4759732.574164088,3298837.696942173]
["Com_4959_pos","3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one","C15 H13 N3 O",273.08492,4.636,274.09215,"Invalid mass","No results","No results",{"$nulls":4},12796626.739606,9434899.984644616,8925145.286913794,12799687.22662494,5860510.890629807,7114609.288387571,7808110.264003783,7101534.598345033,11706402.46403754,7507549.861781039,8047799.918086532,13564949.77168217,8996656.708452003,7934213.076710017,11134395.14420989,8466562.414101547,8421010.527191209,8928462.37151441,9163523.81667973,9015535.928520665,7150994.829722102]
["Com_5010_pos","Asp-phe","C13 H16 N2 O5",280.10458,5.059,263.10118,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",6891365.637414451,2908405.733936159,7396234.290369011,8194553.744965366,8068296.696282712,4055597.731308258,13535837.84607571,13930568.08864642,12245327.6248111,4772710.349260353,4192255.097916282,5115589.170376063,5825300.026328863,2805535.757561661,4099287.306325234,2128012.567096373,2578458.1697874,2242788.58319741,7896384.65277675,5863195.475749316,5742107.831799299]
["Com_5022_pos","3-Methoxy prostaglandin F1α","C21 H38 O6",408.24917,6.827,409.25645,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",8144560.226483766,6283430.38913225,9727013.563310934,9794999.39791223,10586966.88265038,9775529.003885042,9967114.542802949,8986160.680110507,10085432.22203544,11607105.55705723,12421384.43350725,8787914.280935097,8171821.67202305,8637507.192084447,9700092.742346603,14164593.25067922,12614086.69641668,13371079.5697475,8303849.1054346,9845615.605331054,9346527.700382272]
["Com_5030_pos","Praeruptorin B","C24 H26 O7",426.16826,5.46,427.17553,"No results","No results","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Pyranocoumarins","Angular pyranocoumarins",8891685.067245914,12240974.95592756,10829385.7759687,11554695.60003618,14784489.49960264,11062133.35078684,12956373.66297186,12524315.7184092,13232629.0274417,9379184.224183628,8506487.80025494,8550307.549681285,10993321.03891857,10734353.20297991,11869406.28626978,10795564.49374391,10290964.95633064,10481843.94713481,11552329.7569039,10364324.56750066,9469760.775086408]
["Com_5036_pos","Heteroclitin D","C27 H30 O8",482.19255,5.558,483.19983,"No results","No results","Full match","Phenylpropanoids and polyketides","Tannins","Hydrolyzable tannins","Hydrolyzable tannins",12320154.44630504,12202638.07221397,13281534.27834717,13366614.34204929,11868339.89580748,12084673.92528691,11492005.27311326,10766493.68514929,10991951.92195116,12272522.73676755,12061866.68733967,11787528.34476026,12845991.90136526,11735983.77155138,13162101.46706594,13252858.62014757,13297696.09841171,12922598.77801271,12917471.4906151,10971564.0963157,10633339.8547225]
["Com_5044_pos","2,3-dihydroxypropyl 12-methyltridecanoate","C17 H34 O4",324.22809,8.886,325.23537,"Invalid mass","No results","No results",{"$nulls":4},10827752.85048314,10975725.87382482,11728235.12850511,14014362.06908137,12861998.44419894,13562699.87050332,11076465.09263101,12063481.3853012,12760668.06360526,9583657.77271548,11622883.02833995,11555192.55772847,12651857.49825223,12472328.34061029,12276535.75359532,14086958.77182241,13439064.59118821,13130002.28457064,12180516.2038177,13330712.12108643,13093406.21993699]
["Com_5056_pos","Poricoic acid B","C30 H44 O5",484.31915,5.986,485.32643,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",4277046.114060928,5461649.869116362,4550759.634940679,5970124.428993725,5994600.462445389,5771541.408351155,13594564.25970458,10123909.34664712,4391538.444047968,1421659.74891802,1496080.577135673,1468147.555574657,8125298.894596477,6131513.768975882,6915501.655049765,2745460.386325622,3549482.240164889,2320317.267623937,4900403.83928777,5090361.762127096,4982038.815698372]
["Com_5135_pos","Vitamin B2","C17 H20 N4 O6",376.13874,5.617,377.14495,"No results","No results","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Alloxazines and isoalloxazines","Flavins",9181366.195837688,9506565.728372786,8878449.829227658,9197348.6623579,10369434.64443735,9713420.489908006,13224596.78212862,10784557.73910773,12213290.82788108,6030142.375852365,6325839.143667396,5374890.098802274,10682909.12584618,9772574.880690314,10407738.12658809,11281386.88380082,11002974.59790523,9755978.391862229,9744034.7848665,10428595.82524782,9929872.621813308]
["Com_5182_pos","1-O-b-D-glucopyranosyl sinapate","C17 H22 O10",386.1207,5.244,387.1279,"No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acid glycosides",11916153.73025673,9028192.13662772,9399484.326436505,6610713.555365334,10026517.19954636,9261511.699564658,2746909.075081531,3501145.844956632,3979751.654126968,10030666.31869267,8771001.170983348,9115033.421000602,4941280.977123716,5404696.382286172,6420753.879554621,12060453.24665169,11651306.30032654,12665107.0188919,6220445.49844648,7076381.386456176,7602152.469872972]
["Com_5187_pos","DMH","C15 H23 N5 O6 S",401.14379,4.749,402.15103,"Invalid mass","No results","No results",{"$nulls":4},8013717.065686756,6757037.926529436,7506297.148861259,12967997.9966844,13249659.27004813,13653176.20138023,13023322.67072538,12165749.26121733,12558443.31717007,6912136.078679445,7368794.853820462,7984351.714173402,9357068.881747669,10531971.69063513,9290064.164357778,5558857.153839849,4584664.055314419,4269584.835533218,8855693.44579232,10041738.29093972,8904881.777177462]
["Com_5222_pos","2-(4-chlorophenoxy)-N-[5-(trifluoromethyl)-2-pyridinyl]nicotinamide","C18 H11 Cl F3 N3 O2",393.04815,1.379,394.05543,"Full match","No results","No results",{"$nulls":4},10201076.63251368,5368047.799756945,9421271.900619632,13527917.44466086,13919584.34666141,13256621.69607084,11166561.62012016,11419735.88389288,11286750.4840361,10183278.31787316,8590615.36658285,10202615.75861796,10430665.49536343,11732137.21967786,9868578.606391745,10972273.2649583,10897750.04221919,10215037.22406079,10896956.935195,10849463.91598238,9883678.905853672]
["Com_5245_pos","4-(tert-butyl)phenyl 3,5-dimethylisoxazole-4-carboxylate","C16 H19 N O3",251.1525,7.808,274.14172,"Invalid mass","No results","No results",{"$nulls":4},9299256.439228384,9921588.26223374,10885530.03935318,12518043.98674883,12575577.41376573,13133944.3186936,11694975.29475022,11737706.74650738,11850980.43796552,12344698.32867048,11028673.68875497,12724964.44883145,11726959.46645427,11340363.87555668,11862469.37910035,13234093.4033282,12239385.22838617,11486394.4251914,11798373.6961729,12285016.18282093,9713471.319143793]
["Com_5325_pos","(-)-chimonanthine","C22 H26 N4",346.2163,6.014,731.3977,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Pyrroloindoles","Pyrroloindoles",11457623.17984385,1072219.579753285,9968219.486426037,7276816.881825552,9521173.967439177,1027924.286999006,7705728.215039899,11102425.80537646,8505982.781445405,4038106.053312415,3333887.147491645,3312056.177331876,5527363.496857047,3793739.572891835,3082286.37270413,2407991.564342819,6047949.986493765,4549709.294819648,10555258.4977063,10219075.69226137,5458590.10078534]
["Com_5328_pos","Kanamycin","C18 H36 N4 O11",484.2289,6.41,485.23617,"Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","4,6-disubstituted 2-deoxystreptamines",10715340.58957296,11460562.90547639,11101487.66248023,10460554.25027847,9575534.060135908,9816313.01234242,9158344.057636663,8563586.55051033,8644142.013770549,10520617.57457592,11028620.74015717,11188783.97461032,8950378.646605454,9468990.504078206,9390256.441752404,10066033.26944388,9586615.623965058,9128111.853492407,9657913.07933416,10546192.31127508,9366877.0292473]
["Com_5350_pos","Enoxolone","C30 H46 O4",470.34114,6.017,471.34758,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",7237488.771625698,7523092.159924006,4890038.851564869,8289069.001478057,9882696.673547585,13212095.22723242,8166315.377414366,4211052.334130971,8163421.187461666,11774312.16270053,8903046.144362302,6648823.290808445,6035111.502672125,8497287.782047037,7076032.903753198,2396675.949576793,6330591.073595095,5251640.888342128,11491340.1184034,7811518.438699611,10153880.19893929]
["Com_5368_pos","4-(cyclohexylmethyl)-6-(2-thienyl)-2,3-dihydropyridazin-3-one hydrate","C15 H18 N2 O S",312.07037,9.566,313.07765,"Invalid mass","No results","No results",{"$nulls":4},775943.7734672164,739247.9615912844,788477.5002201083,1044405.559094951,1118141.856574876,1005442.797945507,1054550.993736669,8001258.276272623,965610.3617461158,1129508.867812995,1040576.563327775,1024005.644805763,1078310.364472934,9527297.32290072,987541.1695078344,1052905.818919211,12764330.39340863,1076280.479546584,1086498.80678471,1063690.416665726,1215459.836690826]
["Com_5419_pos","Tryptophol","C10 H11 N O",161.08455,8.293,184.07378,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","3-alkylindoles",7982385.576870453,7984149.651232556,8296061.935223147,7020147.668066691,8033544.231926365,7472860.215448198,9374064.370059488,8573308.529948324,9359396.19426484,8470723.967557043,8721646.079511948,8927730.894176334,7724004.417857799,8001968.009081767,7209690.045435296,12550762.23136245,11996126.74981381,12150711.85785988,9054325.7547282,8613869.684530867,8656073.742815588]
["Com_5421_pos","(±)13-HpODE","C18 H32 O4",294.21831,7.739,295.22549,"Invalid mass","No results","No match",{"$nulls":4},8332035.954448213,8714334.746000536,9873617.725353844,9978847.110015118,9773151.962189468,10724435.90525787,10366949.47173685,1355787.013443342,9743242.31385387,10442988.54587388,12331635.82410713,11740804.96727431,12682525.77400615,11047687.9850069,10316058.73566307,11779487.59797017,11656817.98612587,12675250.22873476,10583696.4944547,10446591.96098246,9834953.999614306]
["Com_5443_pos","Sodium escinate","C55 H85 Na O24",1152.53376,6.802,1153.54104,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1458949.650926998,1395094.488793912,1792216.044518048,7146646.620878452,6432520.10665621,6660854.946024739,5277214.287808164,4805429.738844167,4991794.939773156,3496000.957963934,3178255.718480107,3421858.810311799,7122262.622938722,6950797.893385567,7679760.899726273,993864.7778825216,12474476.31252199,11980702.3979269,5193755.17128394,5827452.086634208,5245460.184861919]
["Com_5481_pos","5-O-Methylvisammioside","C22 H28 O10",452.16599,5.634,453.17327,"No results","No results","Full match","Organoheterocyclic compounds","Benzopyrans","1-benzopyrans","Furanochromones",4988310.173610815,10318185.40096016,5012255.426165702,4648440.193726443,4803649.731447529,5297573.035474438,5665450.670917436,2734026.133185991,6665279.748333573,5421706.130515549,4884180.081342882,4604572.71426063,5614318.441132619,5399012.114831327,5055764.378501268,12324518.19251493,5065905.098866465,5697219.013257778,4262614.58372944,5163883.670250259,4691264.423455562]
["Com_5564_pos","10-Formyl-THF","C20 H23 N7 O7",473.16623,4.985,474.17351,"No results","No results","Full match","Organoheterocyclic compounds","Pteridines and derivatives","Pterins and derivatives","Tetrahydrofolic acids",10638653.80557617,9710004.103976106,10176298.87861505,8306670.032710482,7572364.824629024,8634868.206285354,7841814.79875173,8539031.828099221,7820569.095836895,7601146.579339563,8373771.121837022,9017230.472151833,7016762.697206423,5576808.748138043,6221300.791613685,6821715.677576577,7503587.866573897,7721879.849884158,7970878.88585529,8134975.584003258,8186494.393493995]
["Com_5565_pos","(2S)-Isoxanthohumol","C21 H22 O5",354.14554,8.15,355.15282,"No results","No results","Full match",{"$nulls":4},10630177.93435964,10275935.07733181,6413342.370613812,6061552.46036446,5998140.218868352,6356967.043238622,5372432.267674772,5482507.953123471,5204885.72676215,5038707.849211452,5310378.997375512,5235350.901429697,5604035.414584429,5781573.526055953,3826965.487677704,3442559.051772402,5246005.643458451,6033649.367082728,6902803.15190106,6842782.187829965,6381387.186580767]
["Com_5618_pos","Apo-13-zeaxanthinone","C18 H26 O2",274.19385,6.161,275.20108,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",6188484.860461596,5919407.928980558,8081421.242652696,9108612.50675729,8596453.221881296,8178930.792961931,8874063.416492969,10621117.2851232,10850551.77881458,9184181.095548112,8143670.974069572,8829445.869474828,8633338.876843592,9706495.692647371,10105424.8628909,9412062.1200255,2973349.947072061,11906551.9666196,9035353.08724068,8914970.624205738,7088172.496498728]
["Com_5641_pos","L-Cysteine-glutathione gisulfide","C13 H22 N4 O8 S2",426.0878,1.377,427.09508,"No results","No results","Full match",{"$nulls":4},10194351.45465318,10371998.87087747,10190644.4156908,8512230.443963435,8542723.287441546,9472322.704702968,5762414.423542398,7162303.844280391,6823767.549903047,6320107.358329873,6352066.435026299,7207113.804602034,6926051.574293746,6277065.850893416,7294440.86663844,9023342.580978077,8051760.735227779,9375910.052961526,7846804.44180374,7841963.247559636,7624592.939040869]
["Com_5645_pos","Pterostilbene","C16 H16 O3",256.10652,5.194,257.11371,"No results","Invalid mass","No match","Phenylpropanoids and polyketides","Stilbenes","Not available","Stilbenes",4550685.282809858,3470448.021785566,2892586.303031147,12160623.91433587,12169967.765333,11560500.8769535,6286161.395314893,6933887.055206724,6319377.609002314,8295443.793343392,9359933.454550777,8928014.427161297,6626766.863853177,5349877.37703917,7123583.78640004,4737460.074767767,3281948.536438661,4016574.981755897,7496020.91297755,5912919.01052097,8273489.760507306]
["Com_5647_pos","(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid","C11 H20 O4",216.13645,5.808,217.14371,"Full match","No results","No results",{"$nulls":4},4907620.209674687,3620047.933815788,5391054.016512778,5807798.25839369,6225965.359059948,5482361.4871663,8838703.979637038,8039365.349045606,8448228.147224274,9394130.643799497,2737762.269912397,2698138.320599337,11847419.8189163,2661435.680219259,3471869.337579335,9632108.491290187,2918847.205111166,9891190.44156279,8018314.01667218,7885191.641834237,10095448.03854554]
["Com_5680_pos","ANH","C13 H20 N6 O5",340.15026,6.106,341.15753,"Full match","No results","No results",{"$nulls":4},3546550.94571,3686422.295925449,4251344.457163288,8062857.57338361,7999185.823694069,8855339.881114922,10789874.89170688,10816199.69401487,10569411.2181529,10307415.75607052,11481018.50752749,11460330.3337059,6443654.444907792,6368222.99489169,6837820.551350798,1989341.28071472,2355447.292384994,2712927.210267641,6473534.36414548,7190397.517883843,6383307.001799794]
["Com_5714_pos","NAT13-331713_POS","C26 H30 N4 O3",484.19302,5.744,485.20029,"Invalid mass","No results","No results",{"$nulls":4},6538770.933631791,3127360.577603691,6782773.260148255,5705506.311985571,6932216.971404903,6390059.492521157,9724087.67548045,6957147.521462829,9149211.734361036,7755279.4884273,8090054.162183589,10407699.20536497,8096513.880388386,5770555.072491227,5941584.155377264,9794549.887948912,10290639.01087686,11535976.09605133,7066765.33860297,6826788.314385813,6602019.060791633]
["Com_5727_pos","2-Amino-1,3,4-octadecanetriol","C18 H39 N O3",317.29345,6.675,318.30071,"Full match","No results","Full match","Organic nitrogen compounds","Organonitrogen compounds","Amines","1,3-aminoalcohols",9059378.101206409,9094342.95694312,8994651.737021893,7208047.387349619,7020218.021581338,6683516.235703842,10019239.42250524,10074548.71451718,9596312.895795329,10303954.22680514,9472695.010315413,9714397.568686044,10018144.40488487,10080600.98064618,10075807.98531679,11368624.71855701,9997821.161921032,9648373.292506792,9141735.64220493,9412976.318759322,8950148.444193628]
["Com_5787_pos","N6-(5-methylisoxazol-3-yl)-1,3-benzothiazole-6-carboxamide","C12 H9 N3 O2 S",281.02088,1.226,282.02815,"Invalid mass","No results","No results",{"$nulls":4},9886201.226950005,9342823.086785087,10345004.70964461,8312035.405463018,8393292.128312299,8900856.604491157,8199235.376521598,8904082.103484213,8516854.285973404,8182206.826527651,7838482.120754436,7732072.342545251,7611673.428355475,7527370.338429236,7697180.901357642,5909336.768904379,5373825.049778379,5309270.460948424,8442865.86076077,9319235.47681692,7291068.249913656]
["Com_5807_pos","LPC 38:8","C46 H78 N O7 P",809.51852,11.065,810.52586,"No results","Invalid mass","No results",{"$nulls":4},565852.073947615,529153.1432308997,558892.6841806797,3944540.259028359,3481936.728761111,2333512.305938751,3690615.629518848,2597845.578688927,2438895.463031436,2671028.310367414,2398013.527781102,2337361.655121892,1996593.008767012,2379266.651601891,2312291.016974138,11096431.38071935,6581811.289738674,4277436.328696495,2461977.81570585,3531418.640719226,3171550.579984356]
["Com_5862_pos","4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one","C11 H12 O6",262.04832,5.497,263.05582,"Invalid mass","No results","No results",{"$nulls":4},4749184.478703258,4982057.428287366,5552616.537548875,7769351.407719571,7859747.57677023,6363251.477833125,7228288.449566082,7929859.773469609,7107056.162273202,7834546.475885326,7793561.959204325,7263832.208810871,6312968.777065889,4269617.132823552,6899874.496807897,10937022.1670246,6839773.048492405,5532967.200037938,7115072.51621615,6757570.175910423,5843491.101404096]
["Com_5875_pos","N'-(4-methoxybenzoyl)-2-[(1-naphthylmethyl)thio]acetohydrazide","C21 H20 N2 O3 S",402.09409,5.79,403.10137,"Invalid mass","No results","No match",{"$nulls":4},7115527.622907849,7502473.709925703,8816457.369438859,9866952.504934214,10270764.97357399,11199631.72881084,8035202.105978287,7328936.02653167,10216000.13271685,5799752.517621087,6353878.572610123,7347462.793374632,4300666.399795259,7444775.51925328,8463921.0824,8844029.67785549,8192705.890920971,7372514.26715619,7669974.65868325,7096576.770087386,8368793.730117587]
["Com_5943_pos","(11E,15Z)-9,10,13-trihydroxyoctadeca-11,15-dienoic acid","C18 H32 O5",350.20754,6.478,351.21482,"Invalid mass","No results","No results",{"$nulls":4},6186574.680679652,6193435.010720097,6362316.931321129,8315861.589645253,7915251.342785927,8366511.392380896,8913728.715796363,8748024.34238742,8776422.901398549,9037271.6444907,8821771.791728016,9270227.049145227,6773582.679351629,10547515.53663182,10897217.08441139,10403682.69823784,10638586.34159432,10143638.52967544,8661743.30089683,8679680.116429497,8265326.768840358]
["Com_5948_pos","LPC(1-acyl 18:3)","C26 H48 N O7 P",517.31468,9.56,518.32196,"No results","No results","Full match",{"$nulls":4},3934950.284642242,3616298.967943473,3737501.237593849,4290298.238677316,5227825.419619774,5100547.186857553,9180429.178548092,8007527.38475327,1415723.888873069,5949253.833924972,6369768.982450888,7235041.878944969,6387473.027931091,5972927.851971026,5870565.781322791,10691353.37472793,6939586.114637133,7858567.101094237,5612268.92966402,6472519.117266256,5109468.647500421]
["Com_5971_pos","3-(3-morpholinopropyl)-2-(2-pyridinyl)-2,3-dihydro-4(1H)-quinazolinone","C20 H24 N4 O2",352.1928,6.854,353.20008,"Invalid mass","No results","No results",{"$nulls":4},9355823.3301816,8888209.064589849,9663627.489442317,8234872.554720427,9088314.644879716,8763266.04578074,6758821.22569101,7192347.232467609,7192106.811376375,8063988.600541106,7666418.731322985,7607636.20188405,8506905.352734854,8486752.480048187,8211178.623992705,8581539.120103009,8314213.636878134,8676552.937164899,9086856.99508275,8871847.52729259,7963113.798811251]
["Com_6002_pos","N-Feruloyl putrescine","C14 H20 N2 O3",264.14759,5.135,265.15487,"No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids and derivatives",2978779.112392668,4441016.000291144,4369880.471059469,2472836.231311725,3687875.061078275,3659339.380102586,3023328.822820876,2975035.55013111,3469224.021729375,3044355.659164754,3288848.746195265,3664571.986169215,4283287.535614149,4012502.892365311,4623149.910977651,10448673.53254686,6957848.73357894,8139156.512011333,4524847.12002096,4107226.243537447,4379895.48996363]
["Com_6015_pos","WNK","C21 H30 N6 O5",892.44446,5.848,893.45174,"Invalid mass","No results","No results",{"$nulls":4},8290188.893552661,8979781.551548773,8036974.1263359,5062471.696253444,6551775.482771361,5879981.082731972,10088903.72222564,7903281.302173938,8501524.488187253,2333398.389077147,1927469.272190562,2105096.508475333,4926331.061897094,2762535.585534016,2371604.493715225,4467400.50151713,4341802.110834862,4478719.264739674,3337571.23601024,5683437.010557894,2996789.348877096]
["Com_6025_pos","WMH","C22 H28 N6 O4 S",472.19026,9.154,473.19754,"Full match","No results","No results",{"$nulls":4},3213111.406374679,2863204.900490929,3293509.424651564,4108077.226358094,4157144.28269995,3982333.614879744,6258550.663252559,8833449.124332061,6260369.527269243,5949462.268335937,10044608.16211316,6700886.380318983,6660063.36744027,5179106.14053472,6773969.379042677,8229374.697828388,2806680.572092997,10494866.52747623,4773675.63023559,6056524.819759583,7041098.740455648]
["Com_6048_pos","Rosavin","C20 H28 O10",428.16826,5.669,451.15781,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","Fatty acyl glycosides of mono- and disaccharides",6099728.333165578,7174350.280267399,8081367.811422135,6747309.616769898,6339027.569034817,7035660.451673124,5564862.351460434,7557149.287605008,8465772.464913428,6157368.961157857,6693147.533907434,7019167.46621322,10387147.37764128,8170588.06657658,8489762.24859758,9184804.475195836,8948394.063342545,10408591.05867584,7316883.04151365,8055314.953091994,6423984.989021231]
["Com_6073_pos","10-methoxy-4H-benzo[4,5]cyclohepta[b]thiophen-4-one","C14 H10 O2 S",220.0587,4.594,243.04791,"Invalid mass","No results","No results",{"$nulls":4},7155906.115264517,6845875.034609711,9634364.170256708,8507764.310376324,7988342.544659663,8412693.101893168,9108325.989428353,7662753.393490978,7028107.916295873,9258002.109902691,8230120.695216758,8253235.471798979,7370976.245533008,5922904.974053893,6401195.834645742,9011704.87590617,9257870.219108766,8543020.902949562,7747402.61676029,8216839.254406258,7067663.866891585]
["Com_6109_pos","Dehydrodiisoeugenol","C20 H22 O4",326.15175,5.938,327.15902,"No results","Full match","Full match","Phenylpropanoids and polyketides","2-arylbenzofuran flavonoids","Not available","2-arylbenzofuran flavonoids",8605706.778836243,8991820.139288437,9559967.968677262,7818705.060923983,7944599.151084864,8631539.504020358,7813775.615244959,6832521.666520344,6993218.631211461,7280630.547410685,7298880.691603228,8404772.549410552,7145485.74390309,6795236.492727637,7278627.062011756,6862537.049039581,7327569.898873131,6499842.762617824,7896552.18986295,7659981.074765546,7406442.212820886]
["Com_6120_pos","Combretastatin A4","C18 H20 O5",316.13159,5.905,633.27081,"No results","No results","Full match","Phenylpropanoids and polyketides","Stilbenes","Not available","Stilbenes",3577437.620771171,1918599.192079651,1409044.791577457,1674977.073171572,1875983.051536841,1773741.045820509,3403772.57584348,2497835.590142072,2650102.872651197,516857.5441974927,3394898.816146092,2165194.588989708,2312525.204103428,2322600.031514568,10322058.47255956,1033378.701407786,964679.785070559,4222349.48979637,1845511.27962188,1946391.256808885,1946716.97783438]
["Com_6141_pos","Selgin C-hexoside","C22 H22 O12",478.11156,5.131,479.11884,"No results","No results","Full match",{"$nulls":4},6341011.846101413,8912961.402526427,7456699.917982289,3750680.566403023,3395556.76975002,3567728.723704749,3284692.942792699,3189769.510771738,3916910.373524936,5523209.475781343,3350246.809871296,5230848.517504717,3950003.431192871,3222679.83466262,2765974.845021897,2592393.799494841,2591672.325449711,2556251.95277448,4359472.42604457,5748156.234179417,4053874.195297388]
["Com_6143_pos","Flavokawain A","C18 H18 O5",314.11646,5.518,315.12374,"No results","No results","Full match","Phenylpropanoids and polyketides","Linear 1,3-diarylpropanoids","Chalcones and dihydrochalcones","2'-Hydroxychalcones",6105685.017621116,7003378.515815189,9474531.135407291,5207191.469116934,7142107.987183369,5985646.635473495,7423372.991409371,6507642.980661653,7508402.729509963,8542968.181244072,6716775.309989411,6497457.804674551,6663141.764320984,5572241.322649859,4499821.142951467,5968870.61671477,6797124.813346233,7388195.451228976,6772093.44866835,5825575.035622466,5508271.824870382]
["Com_6145_pos","Xanthurenic acid O-hexoside","C16 H17 N O9",367.0906,4.969,368.09788,"No results","No results","Full match",{"$nulls":4},8792085.227805177,8467784.591293557,9472598.81140981,7847398.503292949,6361792.056631214,6479761.98844392,6440487.21509695,5710115.944949502,4990041.155271118,9298307.545111615,5964279.431344718,6768678.227148262,4648899.45027355,4356332.673238314,5174640.738700482,4869610.118894869,5137492.253793123,4981868.031612409,5255231.86164806,6302576.127029887,5928435.968866736]
["Com_6181_pos","Anthraquinone-2-carboxylic Acid","C15 H8 O4",252.04178,5.178,543.04437,"No results","No results","Full match","Benzenoids","Anthracenes","Anthracenecarboxylic acids and derivatives","Anthracenecarboxylic acids",5356099.190248756,5461398.180579816,4637111.334180887,9043729.699093318,10052357.73829588,8481342.958584366,8227999.077104802,7128942.792655032,6480023.163794594,9073844.017179357,8492782.000470238,10169420.56150974,8115042.847497652,7801048.942010471,9927001.156786354,7985214.83240384,9340281.349245504,9056620.402980356,8328074.31760663,8234483.676981248,7586386.772781992]
["Com_6210_pos","N-Desmethyl sildenafil","C21 H28 N6 O4 S",460.19692,9.018,461.2042,"Invalid mass","No results","No results","Benzenoids","Benzene and substituted derivatives","Benzenesulfonamides","Benzenesulfonamides",6947618.701947249,7120010.875799565,6160646.522405813,5965033.573641911,8559303.721174525,8362148.869807722,5497907.885697695,6137671.202377341,9437531.361596664,8395845.2200385,7854123.693230223,6133446.57252514,5996551.685114465,5621871.408588942,8638464.62721507,9767463.596794125,8759003.479799656,9717216.19070246,7227162.63403624,5893121.153353401,7295107.080082874]
["Com_6244_pos","octadec-9-ynoic acid","C18 H32 O2",262.23011,8.986,263.23738,"Invalid mass","No results","No results",{"$nulls":4},5930881.777118334,5694802.861298216,6564162.806865153,5636388.107750719,5907065.460306427,5822491.088276328,6006996.219609829,5943063.860891971,4900608.875086951,5161567.233946635,5403448.536194876,5717170.599978722,6447433.630346023,5516472.261343153,6848215.733151741,9765147.157712348,7600110.773259928,8152897.142324199,6208788.48376377,5526708.261983943,5917945.345926665]
["Com_6266_pos","N-Acetyl-L-histidine","C8 H11 N3 O3",197.08032,1.423,198.08804,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Histidine and derivatives",449071.2065846,488384.7213193753,889224.6590120735,1784649.660992469,10159623.53891738,9946497.425130475,2165690.446002515,2363135.23603512,2228881.636390527,1624357.742405841,1128983.252411458,1184574.252954333,789750.3437699642,996588.6957265718,600248.2640330535,4259738.277309002,4133907.615402124,3470824.601406645,3024541.04839585,3256891.506127687,2906405.723452412]
["Com_6319_pos","Linderane","C15 H16 O4",260.10561,5.406,261.11267,"No results","No results","Full match","Organoheterocyclic compounds","Dioxanes","1,4-dioxanes","1,4-dioxanes",6210284.919275112,7359607.776488824,9027203.229905672,4637348.231213797,5058036.90121557,3840565.754145618,4622226.443474911,3939379.130079014,4881952.15891879,6162763.653742918,3704128.81334134,5600241.79408607,5219080.310427088,5183264.370476895,6352526.906520626,7155564.864409316,6892785.966380779,6807798.819431526,6382828.58884352,5422130.54876181,4735175.836710095]
["Com_6328_pos","N-Caffeoyl putrescine","C13 H18 N2 O3",250.13262,5.474,251.13968,"No results","No results","Full match",{"$nulls":4},3933243.533089027,4512858.884893855,4573349.902695272,6108623.071536789,5900505.468086156,6805818.108519075,4094357.426193055,5056385.697962931,4856411.4000593,4487870.167385651,4412797.527936271,3127270.239349557,8099176.42566214,7057715.862299617,7539781.953611815,9565127.577026682,8177562.538311027,9364881.55552504,6059604.66414412,6345633.580854021,5992447.902306367]
["Com_6357_pos","Tanespimycin","C31 H43 N3 O8",1246.51421,6.757,624.26438,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Macrolactams","Not available","Macrolactams",400635.0654223623,403127.2959594842,432011.5323625168,442733.6238612533,428004.9481895179,434766.6997720986,415002.3576208281,432862.5618074167,457400.1898759237,409211.4263491656,403988.2065362498,405935.3824556617,429778.6091524437,392996.0421232178,424881.006974343,9378339.976413855,9040066.128233856,9568586.941885656,1663484.95420697,1781425.949705724,1783266.060499453]
["Com_6362_pos","SM 9:1;2O/30:8","C44 H73 N2 O6 P",756.5136,11.231,757.52087,"No results","Invalid mass","No results",{"$nulls":4},4190150.181614308,368253.1899646081,420869.1531015424,409257.758714552,5080968.809443612,6786693.791709336,4755146.818193477,5611820.32910396,2742377.856658346,5423402.558017812,3915838.995226717,4610488.352560394,4403177.682971464,4981518.097443875,4643406.803406211,4282192.898551144,9439468.662167383,6102944.925880874,4812450.38158843,2429034.903793711,4686301.014161239]
["Com_6365_pos","(-)-Caryophyllene oxide","C15 H24 O",238.1938,5.939,239.20109,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",7716436.694854754,8056702.274365348,4251854.36519221,6872016.387726236,6215849.149340994,6642197.314879089,9151207.049153466,8476550.489442123,7988042.941190808,6978654.436137319,6081821.139563179,6690618.822082554,4872909.105550763,6937403.628586796,5968464.910615764,6258564.113331702,5824948.493739347,5626251.88500787,7919326.48880448,7545709.151341598,6496020.973061798]
["Com_6375_pos","Tricin 5-O-hexosyl-O-hexoside","C29 H34 O17",654.18202,9.159,655.18923,"No results","No results","Full match",{"$nulls":4},7152545.448080923,8349405.251565085,8009507.185548327,6410543.347776703,6208787.044357033,5792419.532497402,4817378.893554136,3966048.406189695,4434200.461907758,5019398.404127494,4041470.441496101,4269071.703370987,5762854.57772103,5636724.473696511,5570765.138878612,4898024.81811984,7992914.266087316,4461517.384085957,5469045.54130744,6586253.579648984,5247514.654575273]
["Com_6381_pos","Tanshinone IIA","C19 H18 O3",294.12424,5.878,295.13109,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Tanshinones, isotanshinones, and derivatives",8327700.737486748,7014956.12979431,7464886.848560042,7704607.139877084,6639796.058721135,6680688.89443284,7798768.279351172,6983415.220868419,892253.2774978834,8662772.886511752,7754999.521669817,7695686.938053292,8052284.94687425,7256880.291509673,7221069.960636133,4249655.098275803,4920542.11618235,4298242.619918142,7536094.08496599,6664217.821525182,7119928.086200096]
["Com_6397_pos","Przewaquinone A","C19 H18 O4",310.1204,5.684,311.12768,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Tanshinones, isotanshinones, and derivatives",5787497.012540208,6538122.0262647,6343631.35712884,6746018.109032852,6573181.235368279,6285801.660692045,1257168.717452633,1281551.116371763,1222778.778059879,7250556.316512091,7604185.112690776,6694209.02299918,1089669.515136155,1133374.734829591,1097801.80865275,9326181.697144467,9307529.702203296,8743520.777987612,6551250.46949402,6202772.562041598,5301669.553157205]
["Com_6437_pos","2-Arachidonyl Glycerol ether","C23 H40 O3",364.29608,10.612,365.30332,"Full match","No results","No results","Lipids and lipid-like molecules","Endocannabinoids","Not available","Endocannabinoids",966004.3988299604,892376.1564150709,989672.3300687604,2515718.369908971,2476165.519681184,3113596.926178602,1809741.264775545,1616893.991020455,1468991.43614674,950427.4672944042,1091768.526105024,1291774.034820759,2363104.169574828,2652604.368981553,2152659.826856466,9214748.80584704,7937255.910403624,5424761.581900171,3118449.07120102,3329272.003079959,4058527.602083523]
["Com_6447_pos","Hastatoside","C17 H24 O11",404.1303,5.062,405.13714,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Iridoid O-glycosides",2437323.288840752,4584474.897406284,5088994.749950303,3594194.024737346,9600309.487469552,2495989.816370215,2045549.45760758,3010991.909047145,2892782.751967286,2183191.097068479,3946801.556658781,2635981.334866078,1721042.264877341,4410712.192101788,1703281.894023952,2903150.118704776,2884880.640105233,1340667.642197986,2798107.45029034,3651663.874252295,2044022.274715234]
["Com_6453_pos","Bornyl acetate","C12 H20 O2",196.14662,6.011,179.14334,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Bicyclic monoterpenoids",4977939.327555826,6525405.585754194,7371065.868574333,7306177.60426873,6336440.232053855,8232028.547007199,8274892.282507377,8521702.821781034,8762947.176599428,6024049.168972898,7146684.83200997,6850457.779261624,7584127.385787591,8311965.558573646,9060358.543487055,8013199.459001236,5585874.549172612,4312179.031417812,6623108.38207854,7047101.379230009,6263597.80121948]
["Com_6479_pos","N-(9-oxodecyl)acetamide","C12 H23 N O2",235.15522,6.059,236.1625,"Invalid mass","No results","No results",{"$nulls":4},4497409.769048233,4372639.659172825,5182390.230548713,4661845.988129917,5109015.142956728,5962759.515225536,5210400.955284927,5301241.6376786,5932118.430396232,6255056.678776169,6543817.884214131,6782537.221786332,5755432.797075692,5044333.307082129,4630795.41012213,5498825.516662957,4442690.988804158,9188201.24099532,5815788.79253858,5278679.531734233,5931856.649525879]
["Com_6485_pos","Acetylharpagide","C17 H26 O11",406.14584,4.846,407.15293,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Iridoid O-glycosides",5982270.700186539,6717530.708331241,6308184.562050962,8880714.926018178,9505041.723094994,8608333.408361226,7994210.431363952,5896390.923226706,6123619.661387996,8041133.036420549,8208767.860751945,7851198.445002337,6486188.661563614,6494552.012936398,6509144.453065044,6913851.888329928,7038371.945029386,7066716.56414861,6261171.54002297,7125962.059323538,6107324.272819327]
["Com_6507_pos","(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid","C18 H34 O5",352.22517,5.9,353.23241,"Invalid mass","No results","No results",{"$nulls":4},7976868.807932988,7436549.839713214,7965775.769977548,6882192.440495952,7480649.899490171,6858740.47644724,7379853.535899098,6663074.374917964,7959381.620820638,9019548.93700266,8318740.614340077,9239399.853012832,6300308.73961896,6535395.445885048,5667484.022515731,4712324.404437019,4972428.225280391,4210345.218606789,6824935.62457346,7019094.605181586,6044993.150250781]
["Com_6542_pos","Fraxinellone","C14 H16 O3",232.10814,6.071,233.11542,"No results","Invalid mass","No results","Organoheterocyclic compounds","Isobenzofurans","Not available","Isobenzofurans",5726345.880267639,7897456.875342586,5378169.272122292,3191831.212873291,3297064.895919668,2764492.575793493,2533222.690127118,2903309.81775577,2915755.583687536,2408224.800958232,2333162.257978922,2627220.646829789,2951481.962156428,2753724.891588488,2765027.208432755,4507104.804351658,4675030.734587219,4671413.855248379,3506859.54422778,3577592.068989892,3001982.64122827]
["Com_6561_pos","Prostaglandin J2","C20 H30 O4",334.21218,7.827,335.21935,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",3732989.562385125,3672509.707654161,3950782.94374461,4441282.584745678,4626433.532889221,4780742.684552712,8589839.593541611,4304608.718021745,4067138.353749012,4229488.352312444,4326378.046029383,3004160.692054996,5120417.481048203,5010863.345979945,6954722.778240656,5820164.674031757,4855587.662023169,4726948.824036678,4485345.30632186,4500161.698094252,4836699.520814388]
["Com_6583_pos","Ganoderiol A","C30 H46 O2",438.35022,6.056,439.35732,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",2800199.555653639,2216179.776050791,1955116.852438385,3503019.079993003,4674495.856515507,3553786.371434619,3154138.93411969,4078337.388298922,3638251.257804865,3567376.753924236,3890421.108764319,9021333.08018081,1342187.748590236,573362.9327343431,1165097.135424735,2197203.895175117,2324436.992897656,2426966.966605034,1688012.16286875,3025096.176246113,2572222.590504954]
["Com_6593_pos","trans-3-Indoleacrylic acid","C11 H9 N O2",187.06377,7.68,413.09072,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indoles","Indoles",6618521.570643906,4750504.047465841,7127802.9284717,7431580.532864901,6222600.570118004,5575489.793480773,6233730.536340306,4693920.183621448,7106392.524276336,9000386.015184829,4648964.152421137,7752363.087592727,7323360.448634006,4658069.295741546,6224173.606200619,8030370.649606129,7665156.762739459,5976874.597951155,7134022.58687908,7185131.156891474,7752045.86891214]
["Com_6612_pos","5-[(benzoyloxy)methyl]-4,5,6-trihydroxycyclohex-2-en-1-yl benzoate","C21 H20 O7",401.14376,4.592,402.15103,"Invalid mass","No results","No results",{"$nulls":4},3816649.992755117,3846006.84903661,4392697.234706321,9059970.89863366,7411113.197365675,7155413.169590125,8096621.569907041,7961322.020310463,7128599.854904398,4031465.822956633,3476681.681267735,4253075.735266308,6150874.140597056,5014834.524007633,4506392.600399428,2827149.451264952,2549195.662394532,3083301.373139448,5778634.13530479,5494209.390121128,4320490.215081207]
["Com_6753_pos","tetranor-12(R)-HETE","C16 H26 O3",248.17635,7.909,497.3604,"Invalid mass","No results","No results",{"$nulls":4},6948121.072080463,6015613.393887775,7471620.738206687,5274215.156708261,5642761.647985222,5964548.945651042,7117243.126238934,7685142.740300202,8033117.713200564,5834289.657586813,5229298.903630494,5359788.382311788,4264884.294339997,5361628.214567836,5005526.180505371,6670853.4736571,6206681.229037998,5628883.221395744,5626696.14214586,5905440.031761559,6459777.282103146]
["Com_6763_pos","Maslinic acid","C30 H48 O4",494.33754,10.547,495.34482,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1492427.723248854,1420268.953133934,1657673.042472819,1567109.016393156,1475312.628917735,1621669.611062589,1628798.75200435,1361268.630129032,1422477.033112081,1534956.783831933,1590023.54383451,1664093.53685569,1437657.165487335,1688221.717024132,1686668.081606605,8362459.258232648,5777231.799493271,4603259.277033471,1553297.61477546,1696470.26062088,1707962.117154856]
["Com_6764_pos","Hederagenin","C30 H48 O4",472.35601,10.6,495.34512,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1705063.050901075,1551966.74739038,2013457.817078537,1906972.741089264,1850060.461631193,1892472.598297915,1807806.032557022,1761720.340630424,1564071.895117,1895641.059039234,1656994.174042145,1971084.279491998,1678430.152410189,2138005.166450451,1828187.303620524,8362459.258232648,5777231.799493271,4603259.277033471,1827981.67268116,2224962.568756592,1967339.666362868]
["Com_6808_pos","Radicinin","C12 H12 O5",236.07273,6.457,237.08006,"Invalid mass","No results","No results","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Aryl alkyl ketones",2419686.801214901,2855898.196912938,2910733.466138176,2748818.79897004,2974713.951685566,3212618.041134914,2961481.775896955,3019554.496415478,1685228.534034493,3377041.976545193,3532095.246978754,8443080.201922735,3315369.785990288,3099568.809832844,3614534.770977692,3740086.660297827,3783751.911810033,3738417.721314234,3071362.436802,3177218.751585581,4258247.536411252]
["Com_6816_pos","WLH","C23 H30 N6 O4",908.47445,9.216,909.48176,"Invalid mass","No results","No results",{"$nulls":4},5325185.060006071,3998509.237022564,4445676.696034162,5160285.370571534,5142959.358988148,5673654.792598381,2031780.946999581,7283223.659741571,6966747.985518612,4806897.196269076,4875571.09967126,4839243.669307498,5870021.812024661,7401208.261772921,8385074.773038384,4541083.394407902,3069915.618186617,3127346.30846416,5583097.58287091,5683971.177953885,5433728.824550836]
["Com_6820_pos","4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid","C13 H15 N O5",265.09553,4.771,266.10274,"Full match","No results","No results",{"$nulls":4},924455.0469802816,814790.2595653943,855312.8759929291,765976.5936751498,783875.7368770647,1022236.444456512,1920068.507268052,1962744.354958116,2068383.037144964,1050337.482894534,1017169.335671637,989775.2222746478,7480652.34228819,8210276.976947887,8011209.499808489,487316.5419229088,622675.9108691543,214327.8122730601,2435138.81849399,2925629.342172106,2400275.237234956]
["Com_6832_pos","Gamma-Linolenic Acid","C18 H30 O2",278.225,8.482,279.2322,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",6102868.420396962,6257453.388152606,7721839.918430693,6861335.134491884,6616800.29974279,6261050.250922802,6915918.919859028,6661867.130687656,7131894.118647529,5662560.158364347,5298000.31703049,5485711.138809284,5945187.789108894,6015079.202886995,6314661.615317961,6286193.672123812,6601771.787821664,5912012.488060027,6502115.07500818,6133720.664308799,6284682.346533701]
["Com_7059_pos","16(R)-HETE","C20 H32 O3",342.21505,8.265,343.22232,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Hydroxyeicosatetraenoic acids",3359103.996063176,4653367.547663822,5548983.111267307,5782803.913309086,4756445.17713527,6630079.253234291,4817937.487159475,3894665.404382656,5761830.27966408,6020457.724940219,5905288.176877244,4878881.829033731,6848196.066423924,5146897.092688879,7858878.144792095,5576454.587180546,2372481.338986691,5109151.332238678,4798477.26795787,6812958.764621752,5442239.140154984]
["Com_7068_pos","Pterosin B","C14 H18 O2",218.13036,5.504,459.24796,"No results","No results","Full match","Benzenoids","Indanes","Indanones","Indanones",4439008.557533328,6821822.480051124,5930604.442217662,4366673.606778683,3735159.644326118,4427193.763081074,5093621.530739214,2949550.608319089,5708521.833669087,2944145.31094998,3555349.65219029,4964575.084805342,4191983.92375513,2444139.265546462,4426066.029396257,4907206.94629387,2612367.833914432,2293583.582086654,3796016.57221209,4852831.673503113,4080952.39002193]
["Com_7080_pos","Eicosapentaenoic acid ethyl ester","C22 H34 O2",347.28041,9.704,348.28769,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","Fatty acid esters",1743030.02728384,1755844.892300516,1979360.960781104,5901385.13426413,5849543.025984013,5777358.57271456,4200685.340985619,3803254.610132438,4169517.149954722,3945543.944751275,4459942.859135714,4040486.142905342,4147085.207066986,4503358.791009106,4448769.604493986,7690062.761106102,6082746.105208495,5355758.934765646,3825804.50380671,4539770.408661033,4720207.111769499]
["Com_7111_pos","LPE 16:0","C21 H44 N O7 P",453.28587,9.057,476.27524,"No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",2915620.177877647,3089806.753802435,3050317.068833211,3466462.15141147,3681517.192545889,2858772.022949166,6484103.123423841,5038156.588176123,5644239.600643711,529000.7276875647,4250751.629816206,4702378.259143238,2497334.233817541,3977300.73736178,4560686.511941595,7619597.409721603,5765463.382780115,5669805.683351264,4067090.51685112,4345563.914162474,4405122.20070013]
["Com_7130_pos","PC 34:3","C42 H78 N O8 P",777.52841,11.654,778.53568,"No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",4452328.07008398,1998846.613893247,209255.0714153204,248966.3617409123,1174952.475016831,7577347.692969426,7350348.211011442,7086538.694131658,6279776.824532514,2753123.592968707,5389671.900628546,4829752.560218701,5387020.591627707,3566876.041502246,2489918.610004913,1377314.874877602,4213406.045361353,6822609.849618834,4753026.29830895,2860273.408386338,2678562.546844147]
["Com_7206_pos","N-Sinapoylputrescine","C15 H22 N2 O4",294.15856,5.162,295.16584,"No results","No results","Full match","Benzenoids","Phenols","Methoxyphenols","Methoxyphenols",6561415.349343023,4356848.479860623,4732663.191896376,4185580.626378474,4000016.871455277,5033786.969174532,4369548.422224986,4728230.165194848,4418903.52020924,5457918.873991684,4594292.307591329,6046156.270731036,4049680.792588402,4290945.789606438,4170076.756417216,4906735.968635441,4692308.586260093,4423337.172755538,4028514.31864972,4773158.769152099,4215923.973744289]
["Com_7212_pos","Picropodophyllin","C22 H22 O8",414.1294,5.456,415.1369,"No results","No results","Full match","Lignans, neolignans and related compounds","Lignan lactones","Podophyllotoxins","Podophyllotoxins",3916924.56401109,4440812.920655533,4720298.845176334,5893693.234094284,5943154.682284558,5829316.929448833,6535216.563747147,3395103.453189858,7075511.34470976,4912698.329902954,5954768.183220314,4377153.503395637,6153801.732346519,5252495.397747146,5816419.530441068,4256699.438819584,6259591.685740743,6984992.8724219,4836187.00156368,5313610.214785596,5173178.994936212]
["Com_7243_pos","(+)-epipinoresinol-4-O-beta-D-glucoside","C26 H32 O11",520.19489,5.271,521.20268,"No results","No results","Full match","Lignans, neolignans and related compounds","Lignan glycosides","Not available","Lignan glycosides",6502004.109383531,4903144.688726822,4694286.514570323,4814890.325729971,2879863.220591508,4982808.049308183,4716861.827024072,6097193.606848566,5359209.352189813,2622846.956735425,3326506.764249986,3644808.605939305,5244331.491008591,4721780.326817896,5118253.365900261,2470181.638847169,4900877.867500613,3535315.580690268,3261364.60708988,5031119.952603554,4486831.91062712]
["Com_7256_pos","Octadecanamine","C18 H39 N",269.30861,8.91,270.31588,"Full match","No results","No results","Organic nitrogen compounds","Organonitrogen compounds","Amines","Monoalkylamines",711363.4969885283,658295.5743143258,714692.8931475484,3046916.82050267,2825960.489502977,2823699.965064238,3620529.257052281,2537016.667893813,2193413.24413748,3251038.964137346,2729224.610746929,2444284.750064696,3408631.479553486,3469669.994742162,3442316.612528202,7314227.724135056,4570117.310006624,3750841.083997122,4484186.71326109,5704377.433308057,6197250.403102977]
["Com_7279_pos","Bufalin","C24 H34 O4",386.24599,8.446,387.25327,"No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid lactones","Bufanolides and derivatives",4007640.235945805,1380459.411847019,4420187.689097836,3834271.559749305,3974604.399005366,3657349.098727336,4718750.993215014,3873867.535241385,4399096.207199272,3743325.505161599,3961658.473953318,4269485.341729609,505441.2010412415,2288394.159704135,3656504.823710018,7264182.154262621,6252637.064937958,5882212.367080548,3953099.65533985,4394473.938540325,3810632.598577845]
["Com_7288_pos","Heptamethoxyflavone","C22 H24 O9",432.1402,5.011,433.14748,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","8-O-methylated flavonoids",5486827.39155089,4583933.077863301,4793354.250561661,6850582.388249928,6308877.566896022,5948657.231751672,3758666.258716046,4312806.674535084,3744599.491473596,4663968.729692904,5265609.11460054,5067573.016302014,3492589.28667862,3956935.342741665,3773362.537522144,3902266.341512358,4192716.783654677,4417576.729924063,7033508.9533503,4699740.615615358,3413771.060422967]
["Com_7315_pos","Tricin O-sinapoylpentoside","C33 H32 O15",668.17261,11.217,669.17989,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","3'-O-methylated flavonoids",4389869.220100316,3350439.507251021,4211229.756042601,5354874.401588877,5515623.079103044,5549495.986077693,4926724.171281903,4962781.580158263,5115920.667055507,5477344.246739479,5196414.292563603,5134559.071819485,6175987.755705507,5084704.471635898,5837543.93129177,7204700.365077913,4201781.434849287,5346485.306726062,5462976.4401839,5728260.318813547,4898633.90310648]
["Com_7384_pos","1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one","C13 H18 O4",220.10801,6.08,221.11557,"Invalid mass","No results","No results",{"$nulls":4},4828663.257598459,2596778.343717041,3366034.000248904,2431047.373315277,3082815.848465468,2991354.986941317,2753499.784017616,3550908.490895527,6770314.349945959,3025052.69037178,2791955.773602612,2763532.43717687,1725744.906628152,984749.4140597056,3092958.535631675,2881912.296352406,3379663.936478218,2674875.000421466,3492290.36468573,2854201.549286474,2914629.696860037]
["Com_7420_pos","3-Indolepropionic acid","C11 H11 N O2",189.07962,6.291,401.14853,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","Indolyl carboxylic acids and derivatives",5319129.524334815,6215875.582797026,6030078.04923005,4924200.056385611,5081063.578997587,5868368.406115087,5541346.950480416,6625589.957370018,6170101.515791,4898317.36906484,5312854.550429108,5101684.070309334,5009378.685110615,4609918.472612207,4852494.651325074,4655489.329095321,4111585.343188102,5877475.939307825,5091885.01942025,5562036.8771174,5397380.941358655]
["Com_7428_pos","4-(3-methoxy-5,6-dihydrobenzo[c]acridin-7-yl)morpholine","C22 H22 N2 O2",346.16533,9.002,347.17261,"Invalid mass","No results","No results",{"$nulls":4},4717835.905223873,4462075.44725117,4583699.363641729,4453683.965839284,4675189.501596536,4530702.288842072,6797134.176235355,6566970.818781023,6194559.706973682,4752861.277461695,4485475.420231321,4704359.466127146,3994024.585780961,4959034.140746343,4902928.121184549,6601781.780412623,4947563.272926714,4234439.883691946,4259837.99447298,5230550.42127197,5015309.705237276]
["Com_7468_pos","LPC 40:10","C48 H78 N O7 P",833.51762,10.685,834.52489,"No results","Invalid mass","No results",{"$nulls":4},820916.667841408,770817.1765541594,585907.7123906427,2247510.700436993,2401753.590981957,2584302.998614899,2550202.101194203,1794998.887552409,1630246.140555664,2050012.602022992,1690436.021725592,1733833.059503155,1327103.251380733,1710811.353014006,1804994.192929263,6952534.534202452,3712097.435688626,5128412.059520035,1765319.26370702,2092207.01105264,2650830.573344233]
["Com_7471_pos","11-Epiprostaglandin E1","C20 H34 O5",336.22627,9.795,337.23355,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",2853649.458819722,2928948.669199069,3072336.948456085,4349082.743477746,3588361.763666372,4616245.276703988,4992341.933329554,3578240.777065943,3414877.989422244,5060692.943889254,4652971.074748292,4484135.724478192,4986191.519976436,5203929.187387859,4832120.636872353,5407681.406550234,5212227.41396505,5351961.721756233,4731337.93352888,5197615.013892198,6460896.743573868]
["Com_7476_pos","Geniposidic acid","C16 H22 O10",374.121,5.129,375.12817,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Iridoid O-glycosides",6142075.207439739,5827810.525109606,4989234.416025923,3919747.798041178,4181283.562923249,3837896.874258426,4636113.992340916,4989748.078314251,5497516.929060655,3279312.386802117,4235488.254286068,4634421.780707711,4489222.304138959,3773387.308432769,3754774.902235123,1401873.543631916,5404907.004551219,4371045.904917257,4203260.28770521,3801962.272817325,4141920.506649734]
["Com_7528_pos","PC O-36:9","C44 H72 N O7 P",757.51872,11.201,758.526,"No results","Invalid mass","No results",{"$nulls":4},898023.3010074121,369520.8889265619,422317.9807099505,388018.1244092193,3336271.138914463,3051490.143657449,1646417.696397969,1180002.266778392,716892.5752768145,2923610.676987057,1630311.65371114,987044.7431624876,1209224.727222818,1654762.761538833,2154856.835920926,2352311.192424375,6850002.594573653,3383594.087490296,1573689.8776678,916209.4519430604,1725769.719043905]
["Com_7531_pos","Tyrosylalanine","C12 H16 N2 O4",252.11136,4.765,253.11864,"Full match","No results","No results","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",4687624.015999932,5010488.413388824,5048200.469999035,5069172.513389235,4589728.070379185,4075213.010995329,6634358.81941444,5708907.203528669,6358633.531435258,4652516.946679411,6050878.237822437,5069550.324887486,4482315.488683538,4291538.641592261,4252411.246191873,3566507.654081513,2998906.056227074,3010170.807716088,5101441.37861067,5208876.025748269,4427985.564261112]
["Com_7533_pos","LPC 20:1","C28 H56 N O7 P",571.36077,10.503,572.36804,"No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",1486341.53929403,1569496.662545364,1635426.871366855,2521848.063195592,3189482.75041167,3369186.174622457,2902175.502254246,1488587.55438061,2150201.126224855,2607780.100362172,1843037.912174644,1721087.823911552,1982657.593919388,2384252.076227427,1997817.297862165,6840469.310667209,3199806.742634209,2010556.999197017,1592237.46719997,1784701.557580094,2565144.359085198]
["Com_7571_pos","(2E)-6-hydroxy-2-methyl-6-(4-methylphenyl)hept-2-enoic acid","C15 H20 O3",208.14715,6.757,231.1362,"Invalid mass","No results","No results",{"$nulls":4},3694615.26299772,5113710.427023485,5636418.144328063,6007747.061105568,5469863.338727471,6944870.321236665,6214252.718435165,4856064.934912314,6218061.522708956,6495900.742374723,5158189.861673759,5349677.699874871,4868248.034031655,6617544.093232185,5661814.541930271,5661239.252653815,5876712.111730023,3798183.942111195,5635261.98316379,5338362.689117341,4757790.606510749]
["Com_7596_pos","LPC O-18:4","C26 H48 N O6 P",501.32118,9.009,502.32846,"No results","Full match","No results",{"$nulls":4},3793477.286446142,3553123.254132851,3850843.919287269,4318437.226496216,4302566.243763072,4389999.96785774,5399604.321328743,5586577.554959452,5205156.242044062,1856884.433114509,3907175.514198759,4241442.541823898,4346863.306234092,4046251.991887013,4660200.84644591,6718736.839006905,5251125.264414763,4809160.025555496,4340771.33769599,4273407.845170444,4683774.001747107]
["Com_7602_pos","Ipriflavone","C18 H16 O3",280.11044,5.454,281.11771,"No results","No results","Full match","Phenylpropanoids and polyketides","Isoflavonoids","Isoflav-2-enes","Isoflavones",3042732.45354403,3871576.553908633,4134234.822057665,5352774.601981768,4847529.503462952,3698412.7327696,3147491.218747941,5326379.025200696,4165732.132777341,5401782.38511168,4283633.777647841,3659986.81214572,4284028.023537814,2834851.789999696,2763711.887324297,6707027.571823835,4792276.58599958,3899951.980429392,3981371.57264684,4030306.55959531,4186567.463736043]
["Com_7709_pos","AKBA","C32 H48 O5",512.34811,8.588,495.34486,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",442557.8649721029,326605.5279964358,524262.2189779762,641046.1717674019,778895.2721122926,563725.446636526,466540.6905197722,537616.4110900246,532858.376583914,341441.185090017,231027.711794873,227688.6596726366,1851410.282327556,1920684.467908103,2004218.703511766,6504091.01408284,4396511.579888617,4433797.429861824,1038799.11158411,1212252.277787308,1479285.543964671]
["Com_7809_pos","N1-[1-(2,4-dimethylphenyl)ethyl]-2,2-dimethylpropanamide","C15 H23 N O",233.17599,7.622,234.18327,"Invalid mass","No results","No results",{"$nulls":4},4210347.073682765,4299494.670693525,4863737.262913579,3206983.425487116,3203712.014457752,2864793.338642495,5289354.083094534,5271351.153358673,4991994.079163824,4918899.699465845,5640223.692049224,5659335.097385554,4169719.151303673,3854865.878895593,3805238.136420533,5881571.521002556,6063256.987887993,6421057.812441875,3958243.07775338,4783027.585094909,5155838.821048098]
["Com_7832_pos","cyclohexyl{4-[4-nitro-2-(1H-pyrrol-1-yl)phenyl]piperazino}methanone","C21 H26 N4 O3",364.18654,6.731,365.19382,"Invalid mass","No results","No results",{"$nulls":4},5395273.468525936,4854462.55216103,5561733.556332307,6561048.993214028,6160149.940884471,6325269.414930323,5345228.693013401,5183601.637448308,4803585.367040099,4841927.106896001,4183364.201848957,4402248.234308448,5835381.781059671,5120120.750516615,6205495.639755134,5227607.862870515,5122277.815899232,4609600.976316074,5500059.57084335,5274899.701054398,5043628.353623038]
["Com_7888_pos","Protosappanin B","C16 H16 O6",304.09491,5.284,305.10226,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Ethers","Alkyl aryl ethers",4055074.142822437,4033266.020959157,3409276.201957222,3416949.200001826,3760116.122300599,3238049.724985333,4979061.471069986,3376019.511030634,2632387.19828318,3338300.377035621,3858676.69723396,4027739.704127631,2958627.118111615,3777877.070645414,4531163.091755149,4104544.655846677,3535402.734081896,3833090.332927462,3148606.51341034,3756786.845201709,5766838.428444147]
["Com_7936_pos","2-(14,15-Epoxyeicosatrienoyl) glycerol","C23 H38 O5",394.26986,7.843,395.27714,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","2-monoacylglycerols",3814772.559212441,4497108.196348907,4705016.84483406,4289089.698552549,4637792.536325309,3615266.729802167,4134035.772999215,4017217.245451023,4073933.771832816,3819582.073769846,4310346.865562513,3863306.400843949,4983711.432034104,4715900.068782127,4948141.828872225,5227681.331732142,6108092.794340871,5546382.763339861,5064586.04868921,4622085.969925877,3747116.482570841]
["Com_7949_pos","PC O-40:11","C48 H76 N O7 P",809.5202,10.252,810.52748,"No results","Invalid mass","No results",{"$nulls":4},513211.5840290171,505334.3801754465,480945.565276344,950085.365804978,1166433.363166183,1074531.144003442,1640521.169330573,1021949.089488161,1242946.608231972,969452.3088577732,654934.7833624483,1073750.110271621,608472.9465775526,859485.5351573707,978972.4199368866,6083963.659611718,2883626.344741272,2076760.87750888,830444.026611567,1171891.751854251,685681.3529591287]
["Com_8021_pos","N1-(1-benzyl-4-piperidyl)-4-chlorobenzene-1-sulfonamide","C18 H21 Cl N2 O2 S",364.10007,4.824,365.10742,"Full match","No results","No results",{"$nulls":4},2664363.858509749,3194001.483754185,3166409.955280097,4181136.069785752,4291734.111754796,4330463.329693312,1517676.964359721,1902014.734862893,2878679.833258343,5184654.414331309,4274058.26641875,4059677.767579034,4300991.126604884,4289310.791798867,6092744.522876138,5350738.334991336,5062328.754963427,5205346.136003358,4777568.54784085,3459013.114013248,3968536.916383512]
["Com_8067_pos","D-Sphingosine","C18 H37 N O2",299.28275,7.831,282.27945,"Full match","No results","Full match","Organic nitrogen compounds","Organonitrogen compounds","Amines","1,2-aminoalcohols",2604852.725612827,2245922.944518238,2199799.612929893,4685543.74341885,4467206.408925132,3615927.772920155,3068031.792852346,3708431.434466905,2949898.409627456,3499629.909253982,4158985.828366861,3835566.41146703,3383332.545641087,3605875.849793525,3686522.514457038,3699939.472977021,4204916.472405288,4343867.012774265,3578304.19378715,4679996.576071346,5496969.426422966]
["Com_8119_pos","Polyphyllin V","C39 H62 O12",722.42233,9.019,723.4296,"No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroidal glycosides","Steroidal saponins",2003094.519205513,2066882.139267573,2030721.67695622,1572450.322676257,1440966.671205383,1897241.980206932,3559040.627924759,3200380.996431931,3250728.341321626,1956040.879562964,1646813.637740981,1621385.083893168,1951552.112014013,1914485.980927676,1843165.729272842,3944394.573349272,5811997.151314328,3593957.606266623,2090397.37147686,2238828.370592271,2303789.574523499]
["Com_8171_pos","Baohuoside I","C27 H30 O10",514.18187,5.839,515.18915,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",5045297.362192474,4823646.739330743,4700882.415806637,4472332.51669,3755557.201607743,3996031.567700456,3480738.736642614,2687024.672040039,3016772.264700073,3499605.944196969,2837980.097103243,2743376.512141125,3852610.730110632,4460706.704138634,4280640.979913309,4806263.453482814,5728139.299895129,5137037.195231676,4284190.69958063,5446134.483580598,3503356.174786549]
["Com_8179_pos","2-{[(4,5-dimethoxy-2-nitrophenethyl)imino]methyl}phenol","C17 H18 N2 O5",330.12812,7.488,331.13539,"Invalid mass","No results","No results",{"$nulls":4},2777649.165950811,2711069.141367814,2767593.423647675,4265053.872724617,3827359.550512605,3730630.11517798,3603127.00735702,3449684.137996943,3336535.161346833,3599779.887261173,3933432.597075252,3132566.71072944,5600918.167210104,5649773.216310267,5824153.301569362,3520838.725846625,3417272.959433812,3528193.4044792,3758637.2165236,3393350.221602302,4850581.747388585]
["Com_8188_pos","Bakuchiol","C18 H24 O",256.18338,6.623,257.19066,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Aromatic monoterpenoids",3131251.631586825,3429176.414394719,3026292.854326974,3344662.681344768,3461257.891449685,940483.4703170458,3019802.324711373,3519824.556575373,4634394.425209187,2744109.737932652,2323015.810431718,2216012.165872172,2760711.816977615,2992289.055609137,3579649.742118362,3909636.81869727,5691763.682198198,4250923.489326352,4502444.82025833,3826934.179459225,3348823.199318646]
["Com_8190_pos","Monotropein","C16 H22 O11",390.11451,4.795,391.12181,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Iridoid O-glycosides",3110314.646288479,5044783.505676295,3285876.796341523,405166.6943685928,2107374.373444998,2752449.387078884,2940283.132123484,1841887.566660036,2644061.523521745,2767190.267850854,1739471.450965135,2465355.030817754,3523358.814094213,2789136.017566754,2201414.436183996,2442219.586914883,2552934.992129034,2813985.293870633,2567152.47751437,2661279.433271141,3159356.655260491]
["Com_8211_pos","Cucurbitacin E","C32 H44 O8",556.30199,7.168,557.30927,"No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cucurbitacins","Cucurbitacins",4148190.009091843,4681954.596963527,5163253.455323078,5249928.075802346,5035781.799270836,4886034.474974716,5493746.385820976,4930818.083599697,4855025.017542981,5353278.659939074,5043545.896256082,4998696.647034374,4839107.621628718,4257072.99320241,4272187.988241973,4843619.86648463,5344084.267449471,5060061.741323546,4802903.4403142,4737295.207476453,4235998.386704405]
["Com_8231_pos","Solasonine","C45 H73 N O16",883.49611,10.86,884.50338,"No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroidal glycosides","Steroidal saponins",461244.7757490388,441081.8631405404,459215.1889471922,1948529.102606672,1650968.440381307,1646564.246937267,1760444.65153065,1054256.682439463,1006897.937678997,1332610.914149667,1382484.854955194,1057619.756682302,1345970.001625714,1271202.412610719,1383268.351040698,5628745.098418287,1039402.280864509,2548887.728579761,1244790.01566516,1649512.850821607,1971725.584569254]
["Com_8233_pos","Tetrahydroxyxanthone","C13 H8 O6",260.03282,4.981,261.0401,"No results","Full match","No results",{"$nulls":4},3276259.539721339,2657274.957770806,2564378.039218544,5854662.483767902,4004800.065295996,2574919.753342868,2534348.448658346,2318578.541943869,2606258.542840151,2504295.402727716,2618861.693661779,2866207.996842573,2018192.364355412,2138540.836108144,1886456.250671158,2368100.576132272,2855725.679179715,2194749.133321875,2503339.82844553,2362402.248046848,2364092.172194917]
["Com_8428_pos","(4-chlorophenyl)(2,6-dimethylmorpholino)methanimine hydroiodide","C13 H17 Cl N2 O",252.10447,6.342,253.1115,"Invalid mass","No results","No results",{"$nulls":4},479601.130747143,419540.3111001651,429187.4922429132,2250407.595138795,2139976.576714419,2158957.045814188,5111653.352651958,4806027.09001239,4857511.328914186,2677690.89319999,2625994.7000601,3083292.339617504,4656831.844263359,4661437.503751398,5438571.618097719,824668.9877753719,759851.4846961736,1002864.460484676,2650538.82430612,2727215.521828108,2270102.770501149]
["Com_8441_pos","N1,N10-Dicoumaroyl spermidine","C25 H31 N3 O4",437.23198,9.438,438.23926,"No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Coumaric acids and derivatives",2042138.143994131,2053901.857780776,2164118.50546336,784434.0776689794,885873.7422039765,721327.302225879,2949054.67807235,2565372.770796903,2890657.76646271,2937945.648990047,3021827.064467162,2910347.802919136,2307693.264989477,2556409.013764545,2463338.681943306,5320571.709093167,4455613.072600679,4248680.098410892,2538979.68385227,2800412.926659248,2549958.716152263]
["Com_8454_pos","Salidroside","C14 H20 O7",300.12065,4.989,301.12735,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",3953316.639789794,4700502.364526417,4023171.716105917,4372670.073381165,3657091.708280052,3837309.24279107,2263942.437182829,2637443.18488913,2307005.159233572,3269635.750773117,2006006.844517141,2820807.529132538,2337987.805382505,981029.7068745566,3231610.354028997,3574987.255395466,3177845.691174368,2716855.865589333,3825321.23303302,3063864.929285528,3719120.917064584]
["Com_8485_pos","Casticin","C19 H18 O8",374.10078,5.046,375.10795,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","7-O-methylated flavonoids",2579259.443895973,4668606.383073923,4425086.342516511,5307237.845789981,3293896.719035047,3202741.519728531,3161860.21526075,3457488.528277073,3045971.332336888,2671311.800380996,1543480.285501058,1923153.379612675,5166864.516661145,3469324.536793186,2734811.26027151,1607239.57905435,2604696.800737396,2712063.622849835,2443654.35629005,2383658.839264018,3675449.731939064]
["Com_8548_pos","5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one","C10 H14 O4",220.06754,6.223,441.14236,"Invalid mass","No results","No results",{"$nulls":4},4575105.247007328,3752775.979569105,3477989.408993211,1786151.503193357,2360820.802972341,2222279.054725084,3094096.451408321,1559450.531017563,1809180.711437993,2553223.086310204,2187537.132653707,2762853.482737686,1619539.498452744,2318333.950242589,2433655.051230098,2045905.530098546,2423916.847796616,2108216.87808034,3543008.70721682,2861060.844428479,2869032.805495129]
["Com_8549_pos","SM 43:1;2O","C48 H97 N2 O6 P",850.69799,10.517,851.70527,"No results","Invalid mass","No results",{"$nulls":4},2329336.260485433,2477233.878631028,3271912.105862456,5338133.529686125,5406652.345730586,3543918.531381626,2295232.305142914,2332856.127383077,2406451.155197254,2345318.567352924,2317648.398416839,2697221.445900851,2322041.055764582,2671203.778848931,2354786.062922044,2342427.848048341,2083733.55272208,2153440.308934624,2495292.21218831,2606021.198136095,2565429.584341602]
["Com_8554_pos","Mupirocin","C26 H44 O9",522.28091,8.086,523.28819,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Medium-chain fatty acids",3932878.797403909,4575713.609672326,3888206.836735433,4001622.728328706,3994704.891605223,4065080.780345692,4318330.98683102,4514201.124011655,4117206.077414818,3571657.353177749,3569303.474419028,3692445.967054239,3882036.392856764,3513135.580166261,3601990.701038668,3932027.612426686,3366741.93324053,3385181.467986812,3695016.91453276,3973729.821542167,4507688.877393076]
["Com_8579_pos","Sterigmatocystin","C18 H12 O6",324.06512,5.245,325.07156,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Sterigmatocystins","Not available","Sterigmatocystins",2483831.017506007,2382307.982454747,2478635.262512593,2077695.81241762,4439289.000694849,1963286.660666408,2133725.169594561,2168684.144006186,4900613.908442884,1965025.249452106,2072753.848777798,2013972.090595682,1976658.923076494,4283511.290757145,2053261.149768883,2041929.726869913,2229187.3257801,1858134.627524695,2688982.34163846,1832095.939088382,2798324.117198851]
["Com_8584_pos","Vitamin A","C20 H30 O",286.23064,6.1,287.23802,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Retinoids","Retinoids",3446664.74385749,3314791.317609843,3818961.091420604,1058983.439697355,2502524.574671245,1917065.68380332,2730608.703789554,2743575.959576219,3067227.516287373,2173141.506147771,3217162.929783496,2906692.593735575,2466787.721078324,2598141.826751892,2263527.57515603,3249358.419326424,3543802.085539826,5168170.04255131,2833812.88135221,3672523.837681566,2831939.834715576]
["Com_8631_pos","LPC 40:9","C48 H80 N O7 P",813.55247,10.933,814.55991,"No results","Invalid mass","No results",{"$nulls":4},1057524.439697263,1046514.31078081,460177.6834376992,2096674.947698201,1470647.256625628,3004365.605946565,2292779.175204345,2343690.516259301,1820618.520416307,1758812.80397172,2062859.041630244,2405087.038308928,2257620.46822089,2345747.129926557,2279247.705616352,4649804.664396075,2851276.240511378,5109037.380304293,1868954.49405281,1907080.932424372,2096639.62272974]
["Com_8665_pos","2,4-dihydroxyheptadec-16-en-1-yl acetate","C19 H36 O4",350.24378,7.376,351.25105,"Invalid mass","No results","No results",{"$nulls":4},2772694.906882849,3336077.90511389,3079729.997203342,4965851.572968583,4358297.678368863,5146641.181483065,3012158.444806315,3154803.085803504,4005761.683575301,3890856.309725495,3681411.244301879,3436257.62672181,4003520.250451853,3251301.072147613,4555916.673203191,3770665.34311824,3600255.086909663,3567980.16996293,3524164.50521427,3800689.257831234,3203990.477068265]
["Com_8667_pos","PC O-40:10","C48 H78 N O7 P",811.53681,10.704,812.54477,"No results","Invalid mass","No results",{"$nulls":4},241715.916683368,231931.6984935786,361566.8321214814,1094709.983525545,1168846.646522467,1112253.610817459,1415357.052013036,766950.3356992408,871659.0069568239,739717.3969592727,674299.2257641585,938292.6339687328,489990.5731750422,809794.1713489232,730113.7173912182,5008033.023468891,1408005.590647123,1686207.946399103,697092.442612058,1068507.327939165,1250812.606520086]
["Com_8768_pos","Eriodictyol","C15 H12 O6",288.06391,3.683,306.09774,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Flavanones",1784529.751350289,2002466.185462588,1968015.915476317,4706074.166883654,4024496.053982362,4488844.975874246,3956347.17098912,3424031.867996865,2617093.059416576,3185222.828652512,3903666.901904237,3509019.331437518,4184386.584453509,4879413.387272328,4029055.564102899,2213739.960024095,2190540.990851026,2542384.238476848,3259456.639422,3264138.689669023,3530497.554732094]
["Com_8839_pos","Theobromine-d6","C7 H2 D6 N4 O2",186.10248,6.522,187.1098,"No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",2663902.348296523,2794701.239529142,3037092.889594186,3220689.144422547,3213440.25408464,2875387.058319559,2616457.437120794,2526006.674949873,2390149.609185624,2025616.324190323,2169099.270094174,2003259.353778041,2473619.497398776,2146641.873817794,2457435.975507237,4774389.948821537,4419595.266250121,4843865.472186035,2789058.40851334,2688701.443145766,2765268.327075973]
["Com_8896_pos","Monolaurin","C15 H30 O4",296.19666,7.969,297.20393,"Invalid mass","No results","No results",{"$nulls":4},3068873.194937189,2952644.287547389,942574.5380705622,3684056.997615557,4051085.684921432,4163087.686985193,3399035.297047692,3241520.903957389,2487509.691742066,3624824.628668164,2850015.09942781,3870821.936761356,3156751.539365492,3156928.304256133,374585.9314524608,3809144.239627506,4436190.825124005,3301039.429190637,4463312.44852808,4551971.803799291,4342025.745124195]
["Com_8928_pos","5α-Dihydrotestosterone","C19 H30 O2",290.22455,8.136,291.23183,"Full match","No results","No results","Lipids and lipid-like molecules","Steroids and steroid derivatives","Androstane steroids","Androgens and derivatives",628969.6909033138,710314.6248950919,725909.0211048141,4870789.85533125,1605014.223315958,2729647.003676158,821861.3965609032,783697.7334100758,881170.5174462809,839726.1501662586,688327.9244394208,720329.1237647645,521405.2750335498,839718.1431461069,692188.4274801693,895451.7696352924,619176.9065953254,1061533.810556824,801900.482753583,679724.5062789021,922095.0393234828]
["Com_8967_pos","Artemether","C16 H26 O5",298.17686,6.051,299.18405,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Artemisinins",717291.1154404664,994099.9563491434,1030600.33607348,1006894.283676675,1100623.072699695,1038639.838880134,1066314.594713105,1003578.373023432,4393928.207217096,986745.3817753058,4610770.133962597,1007710.530370574,1758609.175777767,954521.8036265027,959260.7232135584,995908.655063123,3556200.387915552,965535.1478643968,1307336.16149855,1005335.046608452,961347.4581981916]
["Com_8972_pos","3-Butylidenephthalide","C12 H12 O2",188.08365,4.9,394.20099,"No results","No results","Full match","Organoheterocyclic compounds","Isocoumarans","Isobenzofuranones","Isobenzofuranones",4098962.152274912,3165805.120123689,4017911.134647859,2609693.83254192,3110308.840309734,3231554.921261249,2812409.261787182,2628008.47745159,3309479.663044759,1687229.415571179,1493427.20122772,2158631.78698148,1647334.205716763,1681338.298392501,1619397.337843311,1973261.192983504,2043442.952500132,1918867.018545674,2164974.60644148,2638736.20411976,2460550.354193775]
["Com_8973_pos","18-β-Glycyrrhetinic acid","C30 H46 O4",470.34002,9.494,471.34733,"Full match","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1355001.309166534,1647559.853799597,1414737.736259239,1621299.674221064,1507077.617961029,1708991.004690303,3030800.275756196,2960551.019881914,3359019.643392916,1367319.840364767,1642960.860281381,1530373.54191327,1986771.072580662,2036567.55312135,1608138.620420553,4630476.435334182,4389790.382723748,4400103.336026032,2138320.40775875,2290401.043864532,2489609.345592327]
["Com_9158_pos","LysoPC 20:4","C28 H50 N O7 P",543.33023,9.818,544.33751,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",2342011.62126367,2338972.038177015,2224854.129278464,3701990.982998038,3683545.432648493,3226186.19894403,3167256.82407889,2584736.949520123,2824823.248827111,2704606.554064604,2739707.926050108,3938638.322374989,1963569.151244834,2546160.348741534,2768023.82708267,4397559.653872068,2559996.63831942,2212503.107595217,2566742.88007653,2681935.430750741,2692492.545779758]
["Com_9230_pos","5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol","C21 H32 O2",316.23812,10.827,317.2454,"Invalid mass","No results","No results",{"$nulls":4},228737.7408239684,219299.1130775693,321539.5209763995,4483764.41776818,3347641.48734899,2818626.849489956,886100.9889348826,714807.8265301838,674692.0628248042,702541.8984767318,691466.1166886012,941621.8557801694,413995.5874841754,468950.3997470322,449163.0848555973,2187128.757362936,1460533.889508293,1231451.441542635,1263542.70204223,1239502.265343024,1061536.951561004]
["Com_9352_pos","DIMBOA glucoside","C15 H19 N O10",373.1013,4.843,374.10876,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","O-glycosyl compounds",2540112.184746627,2672532.168347458,2636949.213431499,2214536.157550425,1773493.205022496,2679191.81483866,2214293.167574671,2208638.852558326,2530514.628304434,2768326.899251281,3385776.877233791,3382366.428537506,3348085.221605045,2994713.032423235,3119609.540507914,3285728.9273721,3621370.210499601,3583826.651703894,4036554.06873798,3246062.090937951,1986830.463283186]
["Com_9395_pos","Toddalolactone","C16 H20 O6",308.12504,5.776,309.13232,"No results","No results","Full match","Phenylpropanoids and polyketides","Coumarins and derivatives","Not available","Coumarins and derivatives",1609450.117935736,1213280.721941945,1419988.393369517,1236885.437404294,4302912.668506368,695759.3774773645,456257.4275181528,1784171.102340786,467415.9312717806,2521531.872961085,1367600.71184935,1130578.687849631,460073.8593587364,241889.9630145261,459157.2879831548,2059250.71227915,1552412.8295564,1165217.741469484,1363028.2817872,1271036.110992692,692059.4145048957]
["Com_9402_pos","Irisflorentin","C20 H18 O8",386.1014,5.731,387.10867,"No results","No results","Full match","Phenylpropanoids and polyketides","Isoflavonoids","O-methylated isoflavonoids","4'-O-methylisoflavones",1600880.56914617,2071388.192453188,2349394.367615326,1702466.893198542,836543.3149270108,1486278.442470123,755896.4417338769,1343831.704032135,1073345.881197662,1015460.807172151,1811668.137512192,1801262.082907316,4161406.115907683,1517099.870381414,1351153.302034201,1769451.480019659,2102403.613180644,630636.4894010491,1885088.88330818,1435257.375368429,1500403.034429621]
["Com_9412_pos","Arecoline","C8 H13 N O2",155.09533,9.535,311.1981,"No results","No results","Full match","Alkaloids and derivatives","Not available","Not available","Alkaloids and derivatives",2433309.270182073,2679270.47046934,2679392.304252172,3194253.59737341,3666547.28500863,3624191.149466118,3154970.826791571,2929832.819602059,2840757.999604801,3127666.579465978,3270127.728839531,3478250.012154386,3876637.411446263,3330002.181565297,3153722.505815905,3422918.412051738,3840360.980795607,4141161.679091486,3185017.63626282,3069862.659503562,3721486.158669067]
["Com_9437_pos","Linoleic acid","C18 H32 O2",280.24047,8.795,263.23709,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",3520043.20978532,3612691.9613391,2576659.466039052,3499957.143753733,3089442.358271839,2911755.746873775,2425572.638484205,2227698.013285811,2299952.520527297,2317604.384107738,2611966.067502434,2387149.91351664,2220662.9440705,3712245.782012143,2502673.964667544,3751260.786050774,4044373.017734732,3425353.677578661,3049927.08634369,2562695.680499852,2574636.323911554]
["Com_9521_pos","Alisol B 23-acetate","C32 H50 O5",514.36611,5.934,515.37339,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",1369424.714201338,1028593.800633018,1874551.45511822,1424739.95094647,1609989.598038839,1531533.632845249,1526825.609736599,1406502.007321997,1436854.859472861,1795518.849388119,1476047.817142942,1297271.923606114,1176477.376238957,2249997.174593993,1668543.285677938,1233406.461040776,2080562.268113,4017597.971159905,1527960.56817903,1330323.69584749,1686169.126114243]
["Com_9573_pos","Ophiopogonanone E","C19 H20 O7",360.12168,5.509,361.12881,"No results","No results","Full match","Phenylpropanoids and polyketides","Homoisoflavonoids","Homoisoflavans","Homoisoflavanones",3456434.676404974,2053341.634483881,2116704.305281837,3476648.638423052,3810327.301130974,3610722.454369674,3045675.042249439,3085287.759689801,2963147.386744406,3220848.352748551,3018768.621614202,2640217.023092034,2549461.094940688,1936759.649575756,2829718.827249676,2837558.054873697,3025418.970772435,2493690.900852633,2737407.97665134,2118593.392133209,3176283.090807273]
["Com_9610_pos","Veratramine","C27 H39 N O2",409.29612,10.071,410.3034,"Full match","No results","Full match","Benzenoids","Fluorenes","Not available","Fluorenes",657265.6738782456,726114.990186852,737919.9102869469,2906735.433685391,2827593.69407486,2816522.382788661,2744249.525628678,2032941.302698961,2064951.512412022,2162712.553318677,2325171.09409367,2302956.376824232,1860347.837123145,1897582.303245922,1892328.715444364,3879177.350661854,2813754.317922028,2315796.773183381,1907796.64161493,2290717.025572591,2689548.175634897]
["Com_9612_pos","7-(2-Hydroxyethyl)theophyline","C9 H12 N4 O3",224.09193,5.702,225.09879,"No results","No results","Full match",{"$nulls":4},3432865.593470952,3169646.504635612,3335707.005984331,1702236.773510517,1407660.266676849,820785.934132215,1522954.942629186,2254380.456430058,1831942.626132633,1040782.704021136,2222246.051059913,1148989.331194548,2088720.795620519,1206667.04829381,1705831.949798101,1811433.392885188,1318554.577728135,1951608.677318012,1546975.30637231,1111343.737962464,2229647.956307713]
["Com_9617_pos","CAR 18:1","C25 H48 N O4",425.35225,8.467,426.35953,"No results","Invalid mass","No results",{"$nulls":4},628958.2052328786,635873.232346197,636259.9915486454,672047.84233439,673401.1512939328,628151.7737553519,719082.397858008,648602.9679128446,643159.0001879944,638160.0393954862,571512.1786588673,606198.0839498452,648994.4453596831,654157.7609912193,646857.815355891,3872354.421574616,1944490.251440005,1646302.9080462,647150.099711324,655876.3692882836,654578.3335015135]
["Com_9656_pos","Wedelolactone","C16 H10 O7",314.04376,5.635,315.05103,"No results","No results","Full match","Phenylpropanoids and polyketides","Isoflavonoids","Coumestans","Coumestans",892509.4879931912,1175040.768892734,937953.4531372816,1173833.585187303,726373.6655470381,1076355.709745729,3719125.476025283,742829.1278387387,758554.9212941468,899175.8619777906,2678206.287097404,2596284.110093655,1349436.046518569,946887.3559114672,953841.0348070364,799276.6464381057,865947.5325301567,1024499.379184658,1270309.56771421,1434530.155742597,833832.105880172]
["Com_9701_pos","N-p-Coumaroylagmatine","C14 H20 N4 O2",276.15877,5.125,277.16605,"No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Coumaric acids and derivatives",2332438.988056814,2869456.869179618,3571994.013213949,2377134.56125805,2570221.369315969,2961031.637269583,2131393.386775138,1590163.882805821,1075756.805626345,2293125.433126898,2618583.462885745,2181505.39025358,3632359.999672737,3541525.081180211,3087958.684625465,3003007.649444775,3371564.045663147,2561075.307034353,2562711.53237286,2497822.143631408,2244294.847024501]
["Com_9707_pos","LPE 18:0","C23 H48 N O7 P",481.31741,10.126,504.30652,"No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",213905.3551877591,195098.3518101776,216070.9058488524,617969.1595717557,528053.6865823149,517464.7715661077,602910.7574576864,372035.5129344205,371649.0276368978,579953.1531402742,470738.8061666865,465343.9221080984,376816.3572098072,400176.6604456041,468170.0424593932,3791557.711408986,2419942.204131789,2200775.999916953,583551.679566562,855955.1943412861,994317.4676618938]
["Com_9735_pos","CAR 18:2","C25 H46 N O4",423.33491,8.002,424.34219,"No results","Invalid mass","No results",{"$nulls":4},227780.3092335997,236940.8184055453,228839.5624356432,245306.9097149424,263062.6870145664,237828.7595426618,250882.4680598808,244693.9228068883,248274.970869554,239067.3148625406,243621.4279506004,242804.233239486,242277.7498621874,238658.1367412771,250851.8947638419,3769183.973504666,2588753.364781957,2613260.955699152,235614.942525368,256923.2214453743,395950.0498487324]
["Com_9793_pos","pteroside A","C21 H30 O8",410.19273,5.917,411.20013,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Phenolic glycosides",2540790.184174159,3083217.426153141,3486810.416003438,2706829.82085284,2986526.650855811,2473096.260518294,1063950.480809752,2987435.49092767,2986169.790368858,2648097.704751165,2516226.813186878,2837742.927739237,3164086.282013867,2257364.498225753,2790764.525806507,2292765.753993448,2735340.699701937,2730075.094732902,2760139.35470458,3319907.904836048,2469493.801832329]
["Com_9806_pos","Canthaxanthin","C40 H52 O2",564.39705,9.138,565.40432,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Tetraterpenoids","Xanthophylls",450537.3972858853,317270.3079878087,332606.5906087676,1359288.285491658,1780233.02510566,1297266.746245258,2009519.829104671,1269440.485830832,1074758.347761167,1508519.708115288,842181.5554764272,891337.3329679264,1266555.198106919,1187018.16336469,1148218.674825542,3687109.832147115,2534918.480370671,1639114.719688856,888663.455907841,1288809.268824823,1758257.295220942]
["Com_9830_pos","Homoharringtonine","C29 H39 N O9",545.26381,8.929,584.22731,"No results","No results","Full match","Alkaloids and derivatives","Cephalotaxus alkaloids","Not available","Cephalotaxus alkaloids",2055784.690772795,1766799.74670051,2064777.866471978,2037938.713617925,1941389.381656465,2278629.042224093,2444441.875476887,2383258.165681791,2196024.148148213,2408728.377007861,2021242.088163205,2009098.023598632,1914618.503387237,2137046.486768784,2016334.228266533,3665287.14977028,3068722.215543304,2712337.528801868,2311446.50783416,2303976.576110266,2127704.980641522]
["Com_9852_pos","4-Dimethylaminobenzaldehyde","C9 H11 N O",149.08459,5.523,132.08113,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","Benzoyl derivatives",1710031.030198334,1733648.360024123,3113362.180993765,2754834.597276764,2333300.005929789,2028977.416711901,2756949.236760619,2448366.372520729,2406090.882142221,2643298.800685932,2309493.892270207,2189866.406293385,2508121.957750742,2765683.642837621,2042990.957017865,3609606.416654441,2305436.673339571,3677014.960369599,2339276.49520254,2045883.736646259,2041193.303615546]
["Com_9892_pos","Virginiamycin","C28 H35 N3 O7",1014.45653,7.277,508.23554,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Macrolide lactams","Not available","Macrolide lactams",290913.7534200536,272961.9399655318,282154.0802891865,2885370.735881505,3268728.177608344,3703264.329726298,715936.3280100697,691064.4221493086,790185.3637022969,281073.8784246512,272152.1003647154,288826.0943170075,1227553.246713987,902989.423024164,1035931.390873633,1102428.939102423,958082.6969852007,1386298.164287663,556692.780009001,977052.082270736,779688.0116196211]
["Com_9933_pos","Tangeretin","C20 H20 O7",372.11971,5.6,390.15274,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","8-O-methylated flavonoids",1274012.985824391,1007129.52960094,1004627.148809039,1631649.817013552,2118646.64842589,1540371.839608348,1890737.469183052,1813884.429295694,2297482.363230644,3642141.078385222,2986285.911759587,2928810.826608554,2830861.549453157,2474823.112809424,2400026.688260659,1526697.581340874,2009746.468947107,2158164.772902387,1996485.6573675,1972657.275216185,2437079.148671777]
["Com_9973_pos","3-hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one","C16 H12 O4",268.07678,6.351,269.08417,"Invalid mass","No results","No results",{"$nulls":4},400173.894321578,454678.6956656277,576860.0423960409,1788072.806184188,1491410.03083379,1624999.93809071,3416777.831627802,3386407.871766245,2848307.890735629,1997329.329635909,2079642.24774211,1865699.135907276,2821083.787483022,2477313.027146019,2759468.685304369,470064.307447752,444860.0863262627,464646.8706458713,2371609.18773562,1801077.836256783,2540628.599364184]
["Com_9995_pos","3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","C15 H24 O4",268.16793,6.134,269.17532,"Full match","No results","No results",{"$nulls":4},2490947.645710259,2848815.852085087,3301702.379826832,1785875.470875103,2396879.153072329,2033594.00457112,2473490.088725659,2104544.151147129,2313095.653217778,2380672.146127623,2103489.037155587,2152361.596453641,2345693.325548994,1836879.299342999,2219309.116252233,2065480.976149284,2327659.036546519,2208367.378268167,2102577.96044087,2203653.225541578,2182984.500292121]
["Com_10058_pos","Rehmannioside A","C21 H32 O15",524.17204,5.009,525.17932,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Iridoid O-glycosides",850683.22734113,1031120.469936592,901686.7224891132,944697.5841693492,800336.5829992908,732740.6406659187,891652.9472889366,663722.625482753,752870.971287681,1548065.241925387,1032529.586622048,1722842.08162637,1549546.15578162,1346220.624824332,3504376.725732029,2975530.635475436,2489811.618743689,2565626.178413879,858991.103224474,1282558.535155452,1206630.223420828]
["Com_10104_pos","3,4-Dihydroxybenzaldehyde","C7 H6 O3",156.04248,5.057,157.04989,"Invalid mass","Invalid mass","No results","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Hydroxybenzaldehydes",1799580.98080522,2121484.706882298,2849607.923730028,3157145.032098862,2317819.284093983,2804884.17745152,3041939.539359926,2499869.269349018,2637078.264602816,2672486.062371596,3250921.309475548,2388808.920545101,2855251.585038459,3397794.703870813,2565082.26324423,2643829.59122108,2461189.528860523,2453001.774435305,2647082.20054499,2983093.029481385,2236062.17608617]
["Com_10186_pos","Synephrine","C9 H13 N O2",167.09461,5.683,357.17794,"No results","No results","Full match","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-2-unsubstituted benzenoids",2893459.414121267,2369770.095033717,2282870.617003151,1927279.526914606,1988586.608207611,2476679.759836091,2238768.468476958,1880422.70373256,2208077.761224241,2972740.773518956,2941735.774445125,3393396.466575728,1484922.627767737,1565483.724685155,2152334.732920531,2415786.306803675,2457469.919358335,2165122.956594222,2436567.94084404,2550744.012685248,2422856.473778425]
["Com_10233_pos","(1E)-5-hydroxy-1,7-diphenylhept-1-en-3-one","C19 H20 O2",318.10836,8.477,319.11498,"Invalid mass","No results","No results",{"$nulls":4},1435727.240916732,1529036.144727693,1584565.029890706,1610170.677241047,1410813.588942147,2155897.692937884,1055419.719906987,1593661.329074572,2112004.964735969,2297620.793924816,2068786.814642098,3340411.34935091,460708.5402770384,1536917.924960194,2039031.968472213,1767824.982554349,1820750.252090063,2137565.349485033,1693832.99761233,1383424.91002749,1656510.440165574]
["Com_10238_pos","1-Linoleoyl-Rac-Glycerol","C21 H38 O4",354.27716,8.665,355.28427,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","Lineolic acids and derivatives",2207442.11867299,2679427.313500878,2318959.459725565,2944529.199887658,2698839.805491543,2759477.686117204,2980574.734748461,2697381.359000866,3117359.09415975,2724970.078818912,2897673.702467008,2374391.844687804,2891213.33300192,2255053.958193139,2603217.166423335,3002281.071667335,2601308.897917962,2482652.999755921,2021078.30273283,2374087.56179001,1911212.931591117]
["Com_10264_pos","LDGTS 18:2","C28 H51 N O6",497.37304,9.053,498.38032,"No results","Full match","No results","Lipids and lipid-like molecules","Glycerolipids","Triradylcglycerols","Alkyldiacylglycerols",1192116.154986419,1308363.097587765,1268117.396244982,969012.8832469772,845151.3184366971,1033056.660166498,2277918.163632011,2052156.00787999,1873674.775135244,1194640.694022849,1359100.535475734,1451269.825743307,2303009.954123362,2735716.919858482,2293317.162985802,3238157.96685768,2678213.37407602,2448754.943517156,1689149.80018763,1624674.004772781,1695248.347749531]
["Com_10358_pos","3-Acetyl-11-keto-β-boswellic acid","C32 H48 O5",512.34806,7.724,513.35533,"Full match","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Triterpenoids","Triterpenoids",448303.7709252956,591041.6585572438,321054.1378126591,378459.2384634265,418861.761030935,294517.4141136454,365427.6380675436,404457.1817073954,356240.163313733,288358.6869304213,303286.8095908449,320072.7097411128,1636043.041272043,940591.4057703948,1275170.200489276,3132132.549623597,2654103.307499609,2832392.491855644,955672.951071385,951242.4437831424,986084.9879988516]
["Com_10384_pos","NKK","C16 H32 N6 O5",388.23829,8.815,389.24557,"Invalid mass","No results","No results",{"$nulls":4},2734560.321284566,2749694.631004775,2522779.234676573,974109.6814969436,989485.8129383344,1186506.544703844,2052958.773323348,1372999.14819576,2375253.716577456,1309428.094117742,1450143.586124217,1306625.359246727,1367279.881672087,1392851.910074674,1395461.887116921,2119125.360405849,1561798.654461168,2123196.590289247,1457206.80281767,1178325.052522104,1371063.184778639]
["Com_10397_pos","N-(4-methoxyphenethyl)-N'-(2-methylphenyl)thiourea","C17 H20 N2 O S",300.12528,6.813,301.13256,"Invalid mass","No results","No results",{"$nulls":4},2387713.863626271,2276851.694023619,2910351.104686474,2522904.175072045,2714259.010898019,2435600.928300835,2320491.337538588,2266195.861730045,2262331.926714651,2765930.516382772,2998364.191087532,2775923.2554298,2631299.531345479,2586682.177198961,2599572.73640816,2796995.572764782,2732749.436334077,2542255.846650532,2733492.81719564,2571705.403313055,2289028.484042803]
["Com_10450_pos","1-(6-hydroxy-4,7-dimethoxybenzo[b]furan-5-yl)ethan-1-one","C12 H12 O5",236.0665,11.282,237.07378,"Invalid mass","No results","No results",{"$nulls":4},309756.296801622,195249.2358482359,223380.0426886135,236205.0863819275,417260.865296095,390764.8547003995,357922.9330665469,402150.9321343381,303663.6047189921,350152.2626491467,380031.8741407332,357637.1960178986,351829.7592739937,921962.7019338792,345524.4595193299,266346.2668627395,3032314.383078896,635110.6133470761,381269.573908067,294427.3323805713,349223.1156719485]
["Com_10477_pos","lactucopicrin","C23 H22 O7",410.13561,5.537,411.14289,"No results","No results","Full match","Benzenoids","Phenols","1-hydroxy-2-unsubstituted benzenoids","1-hydroxy-2-unsubstituted benzenoids",1052378.073099977,1049955.768386314,1315758.300364153,1099175.032180718,1066718.736036473,1085430.423484227,1049481.987301106,1319143.941801032,1031600.420386913,1051990.665802503,1034541.16996784,1154886.421634435,997963.3561898618,3007754.153002674,1041666.964136336,1083197.425486393,1356976.304339819,1065294.924742403,1166060.03329866,1416577.526494025,989255.9445462832]
["Com_10529_pos","7-(3,4-dihydroxyphenyl)-5-hydroxy-1-(4-hydroxyphenyl)heptan-3-one","C19 H22 O5",330.14933,9.428,331.15661,"Invalid mass","No results","No match",{"$nulls":4},1972114.433010234,2145465.810505225,2295205.275670998,2502453.645561605,2296413.293227067,2304814.734187052,2514440.167457964,2136826.428212195,2146798.385967628,2234136.793050186,2118050.969640756,2269339.160691473,1936043.393337574,1861496.319019606,2023338.659446592,2679160.12348681,2374441.225108401,2105655.083433944,2593785.28923157,2237055.778697324,2753666.437238555]
["Com_10555_pos","Linoleoyl Ethanolamide","C20 H37 N O2",301.29915,8.106,324.28868,"Invalid mass","No results","No match","Organic nitrogen compounds","Organonitrogen compounds","Amines","N-acylethanolamines",272233.3558522514,246166.261885818,223861.0085512369,1883931.255117368,1689838.04655816,1467209.583950907,1486744.037293971,749832.6037863957,686685.0430164337,1038197.417890767,771380.4283370445,938557.3390793292,716883.7804843801,796702.0360470837,803199.6227664395,2939654.729474854,1539744.629675181,1002209.355874576,890571.109356676,1269699.490470415,1719093.521044733]
["Com_10623_pos","Pyridoxamine","C8 H12 N2 O2",168.09032,5.033,169.0976,"No results","No results","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Pyridoxamines","Pyridoxamine 5'-phosphates",1342688.366980969,1333627.647227643,1349184.747787199,1392275.00465396,1358259.268055412,1334635.444353133,1298178.551930948,1303064.858159296,2746179.171504468,1373453.760833013,1191654.29885971,1216179.651017398,1187932.707489393,1204003.747310471,1262565.166009892,1115088.489117299,1168550.910758586,1055787.101625996,1202702.16583266,1212718.057771628,1147553.244882434]
["Com_11029_pos","Cucurbitacin B","C32 H46 O8",558.31738,7.314,559.32466,"No results","No results","Full match","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cucurbitacins","Cucurbitacins",1860758.621984536,2206957.921806653,2057274.884989168,809923.6780711648,1037629.488880486,981897.2145599868,1038061.128559011,962162.940801795,1440981.45570596,764769.4762053607,791110.5484782205,740645.056940413,477634.7897476665,643554.4258737765,581168.8721713641,310837.0394838864,735764.6821363041,424851.3802139888,882463.974743979,1080855.060007999,865920.511242498]
["Com_11127_pos","Valepotriate","C22 H30 O8",422.19362,5.761,423.20089,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","Iridoids and derivatives",660609.009877974,1376490.415655027,2264661.02118918,871326.8948740726,1528850.514111545,1558746.480490005,1289403.405943329,1220507.312815935,1442859.544763356,969711.9177500808,1032622.587209921,565030.7116758159,1311182.834892821,602584.7014101028,1266141.125241484,1352759.631473079,1268907.569573165,1198287.153732307,1553740.15489692,989456.4053912068,1190959.689195951]
["Com_11173_pos","(-)-Gallocatechin gallate","C22 H18 O11",458.08493,10.788,459.09221,"No results","Full match","Full match",{"$nulls":4},961343.1777914402,731506.1113159959,863000.3820940001,1107660.816650336,952977.441435351,2428072.872808744,917446.1698706022,1022047.701215759,1073470.373882252,1177753.659834215,1067166.543698147,1167853.824632015,1080013.245163697,1124357.353650013,1036962.209620837,1202226.457358838,619790.2417732318,974256.0233440336,962037.529035426,1085721.183335874,1314921.270978117]
["Com_11201_pos","Ginkgolic Acid","C22 H34 O3",346.2494,8.509,347.25668,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Salicylic acids",854973.553899329,833578.3660541852,841417.5434713825,1224538.942137365,990158.6655573208,1075718.743578849,2271298.271698641,1215780.053161013,1285463.833597093,867482.0557217741,776884.3691351488,774785.2023341759,882209.7919918942,889228.5386727864,812560.3107271943,1513607.265933838,1655486.605890113,1447635.988235069,947065.822752553,1190181.103396846,1292422.21927311]
["Com_11220_pos","Gomisin D","C28 H34 O10",530.21324,5.863,531.22052,"No results","No results","Full match","Phenylpropanoids and polyketides","Tannins","Hydrolyzable tannins","Hydrolyzable tannins",2054570.985688057,1774644.93367386,1923829.685460784,1823244.760431314,2263783.579558182,1143295.874480578,1280064.541322112,1423929.620092297,1250647.945367565,1705386.677550312,1002700.447416483,1458061.677789585,1744210.739573148,1759940.500056382,1990308.857607084,1382670.658385682,2275556.388388081,1989757.048196763,1840587.32246934,1375654.883446024,1454626.343183924]
["Com_11347_pos","Cinchophen","C16 H11 N O2",249.07958,8.579,250.08694,"Full match","No results","No results",{"$nulls":4},1686700.407873346,1975308.467603916,1998183.023466621,1161273.440413459,1162752.551563457,1372462.559278881,1363473.376025368,1352600.216839853,1199672.696001658,1281323.034202103,1314275.375055649,1395881.041287107,741251.3245516533,896898.695504476,781686.3094577356,1856489.239722228,1443550.70267477,1555597.601330737,1525153.25185162,1505944.519849874,1343070.701546238]
["Com_11415_pos","Topotecan","C23 H23 N3 O5",421.16323,6.677,422.1705,"No results","No results","Full match","Alkaloids and derivatives","Camptothecins","Not available","Camptothecins",1769188.343139216,1807335.552493868,1951387.861803997,1924943.901744753,1815157.210910783,1868437.116967143,1392970.873288112,1427874.202795159,1578509.171907018,2072783.768161344,1965469.754117574,1801378.286787825,1560580.230950728,1749333.357735783,1752271.00705929,1954460.315731738,2173173.278338237,2051410.092612937,1579566.69861416,1482249.712063906,1497574.956249318]
["Com_11416_pos","beta-Caryophyllene","C15 H24",204.18845,8.309,205.19573,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",1924526.510196045,1025451.018367168,1043586.035576423,1826670.149154627,1105221.420533693,1031463.162529069,1262926.339104671,1176797.867249725,980456.3306808356,1385918.361651603,1320183.140481265,976987.240766952,1028183.86414967,1013239.687855137,805820.9640171312,1227598.085807243,1245348.63052057,1249266.728042326,1274627.00852761,1095855.17546015,964750.0829880144]
["Com_11430_pos","Lysopc 14:0","C22 H46 N O7 P",467.30163,8.458,490.2911,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","1-acyl-sn-glycero-3-phosphocholines",1164726.060055004,1070518.741005402,1550608.809085225,1855383.579273377,715629.7775718747,1027506.099152295,1994487.312947924,1006705.020523526,1787685.748109101,1333048.263694477,1498297.560239019,1298706.338451449,1340308.389424043,1216125.584842035,1544987.214023588,1867397.248437736,2157140.868376958,1106917.050573326,1548061.39377064,1512805.379494659,1594474.795619049]
["Com_11599_pos","Yuheinoside","C16 H24 O9",360.14097,5.595,361.14767,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","Iridoid O-glycosides",724156.3291935006,1569812.300124032,1168385.927290294,795388.5956079754,1253265.26289252,2064480.844948861,1338024.710356778,1713499.774911728,1683458.776838546,1772972.702132763,679539.2720201523,1377437.584542736,1898248.025766667,1869760.473118321,1471439.49707865,1521418.541347832,1731952.556525155,1309662.528638562,1558639.33964395,1029879.969998841,1185646.113910368]
["Com_11739_pos","Lysopc 17:0","C25 H52 N O7 P",509.3478,9.834,510.35519,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","1-acyl-sn-glycero-3-phosphocholines",452435.4833368805,420384.7453630689,512328.9911734,629224.0191757737,736909.8066344385,634327.2083082766,724577.1661771492,507651.0317372352,559598.2515160065,703175.834751467,691749.3076430532,664400.9538468651,713343.2651649859,702970.1729062576,735208.4966259042,1880152.096275225,687111.7050101778,724112.287300012,692686.245753489,692870.6405130998,827621.9784992348]
["Com_11780_pos","Phytocassane E","C20 H28 O3",316.20442,5.888,317.21189,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Isocopalane and spongiane diterpenoids",1024489.52727012,1625625.553404648,1054627.869271068,1119474.674430765,1837232.227338087,1455392.026785291,1652342.985811147,1689559.634107871,1656961.132360422,1508366.428994671,1652850.918210707,1781850.791537237,1061483.188447814,1009975.358944494,1502869.765104718,782367.4353214665,735708.2221860982,835593.2435036721,1565780.97670319,844632.9543116823,1127387.374006244]
["Com_11786_pos","Alantolactone","C15 H20 O2",232.14684,5.727,233.15411,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","Eudesmanolides, secoeudesmanolides, and derivatives",466494.4127561486,487390.5060815636,919174.7570179407,514415.5662607668,513710.4183388912,903055.9818881308,471961.1159468456,753080.0708040404,451240.4507991434,478488.3672839332,752959.3808169279,513947.1489593942,922073.55025591,1826046.860110494,435543.9709480206,959778.9637816768,709885.4419528628,463663.9800299055,627171.958097015,603840.1755465143,660212.9151038743]
["Com_11984_pos","Oleic Acid","C18 H34 O2",282.25664,10.122,265.25314,"No results","No results","Full match","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","Long-chain fatty acids",345384.2032547068,470695.0366236937,257316.1810324305,729212.7921349677,643348.5903166931,671171.4287687817,883177.7339298659,544121.2777314119,490808.7467985193,769487.2562182642,858210.9225479314,624883.5808135006,1135361.578927566,726962.9387465371,454531.2926629076,1668989.511531148,995268.1358928786,910488.2395160532,773315.703295859,961692.9813390912,1150522.5534116]
["Com_12014_pos","LysoPC 18:0","C26 H54 N O7 P",523.36395,10.041,546.35324,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",467692.9312466681,303494.0194471048,264028.7388483563,712662.3947233151,625734.667452417,751478.8773339962,920951.87107759,597678.1385156438,770240.2815434677,1020089.918552961,685441.2547387761,1093022.752542996,812033.485368621,861846.8542087693,753654.173125367,1641360.977538535,1498980.214540972,1389165.673089103,718449.565420109,956618.3868558696,974361.5310747648]
["Com_12651_pos","LPC(1-acyl 16:0)","C24 H50 N O7 P",495.33268,9.733,496.33969,"No results","No results","Full match",{"$nulls":4},326555.6258660803,206467.6311602685,322848.2770369108,268714.0878637438,225019.3139446465,286285.9515325514,958348.0401842374,518586.1136131319,708996.8280862523,374570.29410711,300044.3976250246,563968.3832121949,304858.2402485124,260448.4518548393,252361.8879813268,949192.2405429004,547171.582605162,455715.0561609737,325893.268546692,330265.8546986064,533923.1604711448]
["Com_12657_pos","Anacardic Acid","C22 H36 O3",348.26499,8.935,349.27227,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Salicylic acids",204217.7931325822,153015.5221362101,923345.4658699714,296332.1006395311,282916.9552822763,339247.6674819269,384746.1764621309,521329.6106029184,315678.6931570162,254825.4705910713,152919.3250877043,259958.065148941,352079.98425543,341100.2501746143,433929.3198121282,522224.7695842873,549113.1195819678,420338.3298474767,290054.032826266,219749.9543606916,417737.4876628229]
["Com_12809_pos","lupinine","C10 H19 N O",169.14706,9.955,170.15434,"No results","No results","Full match","Alkaloids and derivatives","Lupin alkaloids","Lupinine-type alkaloids","Lupinine-type alkaloids",154150.4784870955,200659.9700488131,205784.9378344115,389415.2768218864,354265.2443212406,361121.9000557794,418073.1416649499,239003.9337448702,181207.425582228,506376.7324111494,351334.0925658969,302952.2915675949,406129.2854796851,399869.2487821988,321545.5636880551,725071.173024011,391377.7056819856,413490.2772091972,380455.218379941,763795.5391063001,702364.8582202785]
["Com_8_pos","3-Methylcrotonylglycine","C7 H11 N O3",157.07404,1.815,158.08131,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",18499621322.48681,18883913205.3209,19530327495.12835,21021088095.41152,21458305941.50133,20653361868.37513,19833836461.05854,21234108311.65372,20109345353.22429,17459230456.3871,17387213331.41496,17614906246.59562,21766038526.2137,21194770125.52658,21161814298.80413,21166396629.56176,21020136373.39847,22362661574.98659,20394535885.4203,20270327958.48126,19108407654.6771]
["Com_104_pos","Taxifolin","C15 H12 O7",286.04817,5.381,287.05545,"Invalid mass","No match","No match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Flavanonols",236450113.6413032,1340219930.465179,1423416538.464765,1301089850.495661,1599966649.853182,1515265267.842549,1686679023.587741,1521775567.324868,1573183878.480647,1378780448.099675,1281855222.493516,1352158890.005081,1411208617.131662,1419969216.996858,1460870483.465217,1155860970.354447,1174322061.373466,200182638.0456152,1378466853.37142,1475197940.870235,1417317151.453627]
["Com_105_pos","Phenylglyoxylic acid","C8 H6 O3",150.03205,5.143,151.03933,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoyl derivatives","Benzoyl derivatives",1102370676.949819,1525552119.66205,1128438077.15568,1157511469.59593,1225321894.388718,1649080693.137985,1114274210.626765,1110050266.10798,1542398349.724679,1514262124.706606,1544055321.512511,1198355238.61957,1445398937.022062,1457429731.862622,1065469239.900336,969606087.3373536,1346871999.4705,1057814556.904929,1148520457.01548,1048224754.712371,1037235853.882769]
["Com_107_pos","Adenine","C5 H5 N5",118.0283,3.065,136.06212,"Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","6-aminopurines",1506573389.089439,1479385147.433913,1588218316.223868,1474064392.56884,1421298729.10305,1553889282.161228,1107452456.680943,1068004667.876752,1133557189.781148,1078617853.074914,1091435689.488239,1249542877.842957,1161020678.876798,1138759742.121509,1254731343.779787,1078218248.322857,1093179450.357264,1048514264.049114,1241725906.84052,1278234558.293315,1170504106.227201]
["Com_130_pos","LPC 18:2","C26 H50 N O7 P",541.31481,9.017,542.32208,"No results","Invalid mass","No results","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","Phosphocholines",733261478.4650737,731047906.4744266,776779337.1213543,939943427.4516662,907975251.3057132,910197095.1301944,1189459682.693269,1088897154.222044,1078340691.742479,956450313.8644046,912926435.78831,913168926.2214004,973655171.1294396,909189967.612622,960629171.1886086,1380179534.342415,1079508673.779804,986383030.6909448,903500813.916736,954133207.4366008,902761548.0113596]
["Com_132_pos","Guanine","C5 H5 N5 O",134.02321,3.317,152.05703,"Invalid mass","Invalid mass","No results","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Purines and purine derivatives",1015650383.235185,1074348138.890228,1254072322.658616,964274182.496872,958559035.4170104,1046244401.444577,905447001.6583104,837609053.3088827,850791321.1668915,898808231.9631656,948977798.6812632,958121753.1000218,948580765.9677372,832485649.0050732,889246690.4116573,892738004.0823894,899920870.2675116,898635657.6051143,904135509.405533,838400106.6325909,877200253.8455358]
["Com_161_pos","Aflatoxin G1","C17 H12 O7",328.05638,5.073,329.06366,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Coumarins and derivatives","Furanocoumarins","Difurocoumarolactones",807634752.3539973,826934181.8141849,806309751.9023571,1004176020.187757,360477780.3461608,956740858.6115172,825877624.5622809,867446721.3892205,761982734.0128657,7328904.422481714,896841303.0561919,905417993.285288,862196303.1699654,853219223.5044218,872436229.4813486,842265155.7519429,850092811.5978247,805884690.2873697,869536144.690637,858420377.9106715,822477863.4122169]
["Com_204_pos","p-Coumaric Acid","C9 H8 O3",164.04772,5.621,147.04443,"No results","No results","Full match","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","Hydroxycinnamic acids",670096806.27948,691514690.3531194,715292980.4906425,507619138.8388729,270688958.2832332,505476192.9306973,81120198.74460119,494532656.3185054,630285953.0942086,567507018.7234471,556680598.6272502,577171363.2116926,495359059.9748495,463407609.5339267,479695810.3221915,634081259.018208,490207409.1597436,500966345.1835258,557450445.533658,545045280.5125434,501072801.7712816]
["Com_264_pos","Epigallocatechin","C15 H14 O7",306.07642,2.258,307.0837,"No results","Invalid mass","No results","Phenylpropanoids and polyketides","Flavonoids","Flavans","Epigallocatechins",480455158.6143612,521656108.0291066,521668127.0204217,413426596.7119871,356809635.5137034,367972690.3724962,365832207.2380182,344154934.5714015,372094225.291213,306480972.9928656,298369201.3414485,324941487.8834377,301294414.1539347,312136064.7414298,316171432.0377473,300064825.9595199,301609604.5542997,298585052.3857445,348347431.718838,365186024.0480269,329115138.514846]
["Com_393_pos","Flavin mononucleotide (FMN)","C17 H21 N4 O9 P",456.1059,5.374,457.11312,"Full match","No results","Full match","Nucleosides, nucleotides, and analogues","Flavin nucleotides","Not available","Flavin nucleotides",322184460.877103,305380167.5941927,320928128.8997014,302797720.5286934,312034815.6340864,292846675.3515184,276232237.5833625,262378561.1230433,272919620.1769361,336397984.1875524,298532946.6363524,309118771.3718614,290042881.6308586,311326323.4749403,328701182.2562207,274745701.1553945,305848741.8511959,329863636.7240197,317638417.09392,312525830.6096718,275781532.7470883]
["Com_461_pos","7-O-Methylmangiferin","C20 H20 O11",436.10115,5.036,437.10839,"No results","No results","Full match","Organoheterocyclic compounds","Benzopyrans","1-benzopyrans","Xanthones",274685112.2844979,271120467.2334763,282129809.227054,212006440.1769387,149770678.5078954,150501132.5679538,52194516.47955728,175754316.1721883,179961416.9621221,136104859.9262655,105717538.9427133,150858553.2782361,124694011.0577737,90187930.88294728,127387318.2622757,51508656.12581832,66205096.76954812,84092169.79256247,175950746.971165,181220243.8340399,166742599.4308465]
["Com_547_pos","Procyanidin A2","C30 H24 O12",576.12747,5.059,577.13454,"No results","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Biflavonoids and polyflavonoids","Biflavonoids and polyflavonoids",158929465.108362,154356272.9865006,39176820.00064766,173399714.5259215,170231338.8388615,58529436.06733132,139871999.700378,145358487.0197285,145571119.1551048,146695710.4926503,39110514.37563984,152267424.5486202,47241807.31495736,52593471.05713904,105588060.053491,197081592.2802348,201592280.1553468,200290853.7529734,163537557.933916,240651783.5060711,161241513.6812566]
["Com_579_pos","Salicylic acid O-glucoside","C13 H16 O8",300.08495,5.259,323.07417,"No results","No results","Full match",{"$nulls":4},207734148.4987983,198823990.2585152,209578210.3918765,153671951.1146536,209379787.5754682,204497274.5619525,75920511.60429722,88065924.3746768,82547111.24575646,179963221.8896739,182559762.5529441,190736691.1397088,106916492.384908,103194140.7026842,110143494.3257601,200352181.9940532,203377033.5841234,210321351.9614136,128863716.695366,134446811.8719729,129692924.7339175]
["Com_591_pos","7-Methylxanthine","C6 H6 N4 O2",166.04952,3.678,167.0568,"Full match","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Xanthines",201103810.2825659,188733484.8747994,208062672.2757608,185337570.0126297,173458094.5969179,169840260.0644572,148180776.1033755,161361037.6512783,142801254.3940547,147019148.8588882,145353652.7799825,140705314.2807335,127822510.6264655,134777606.9401981,129621394.6800245,113274208.5426463,109278817.5426241,118479255.9141668,152961746.14654,149820351.1100235,157142684.0100896]
["Com_596_pos","Hippuric Acid","C9 H9 N O3",179.05854,1.613,180.06582,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Hippuric acids",112564731.0044502,154550858.3241341,131220543.176057,233291935.0492555,209906166.7301926,208881331.207881,190079700.4207258,184719068.0577264,181856837.0776472,219895865.1855982,210315866.9455893,213462787.1221865,126187176.4084427,124166154.1986867,183562227.0531651,120534317.5020462,161255566.6622236,158739228.2533082,116961884.263198,194254814.2464257,148147826.5363151]
["Com_614_pos","Rutin","C27 H30 O16",593.12744,5.434,594.13348,"Invalid mass","Invalid mass","No results","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-3-O-glycosides",2418812.500168545,189994710.2255416,2799672.65066074,103700984.0889846,2866328.991484546,112082402.7745445,122849265.4392974,121120194.2884509,136812326.1647753,211159857.3838269,192912662.0836527,196344033.6090556,120370889.0510534,10776773.23979092,115962385.9279291,115287035.0521114,11720237.85748141,111049962.4652654,139971015.781554,139033452.0257084,126371521.7792226]
["Com_615_pos","Genistein","C15 H10 O5",124.0357,5.397,271.06048,"Invalid mass","Invalid mass","No results","Phenylpropanoids and polyketides","Isoflavonoids","Isoflav-2-enes","Isoflavones",172081205.4114052,180544150.4571417,107621699.7297794,222783168.4633978,220731345.2423307,164972214.7582253,194226701.6061964,191451343.0763197,180917799.3642693,216980053.655287,126877829.2329974,124258300.7010367,88471126.1419742,143876386.9890383,150808548.3390888,139015642.7476833,142178001.1007792,141669761.4556466,175542604.223348,110857158.4978405,174356757.6428336]
["Com_626_pos","Nicotianamine","C12 H21 N3 O6",303.14342,2.405,304.1507,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","L-alpha-amino acids",121258360.8372116,121547562.1983295,141843100.7658393,160465527.3323737,147820222.905783,138190132.8182868,184390656.8622149,170453106.1989042,178421539.2574415,110827044.9231662,113369768.7647302,115062865.2245122,175094386.7736113,177489802.0330308,178621057.5812098,192294705.3493659,185973306.5442119,213716358.7522579,163640480.169767,148700495.8109266,139314913.9835292]
["Com_650_pos","Isochlorogenic acid C","C25 H24 O12",516.12697,5.387,517.13425,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","Quinic acids and derivatives",178526920.7782497,171295707.6608072,176068268.3463303,126386966.9020081,121360330.0840662,127204176.3518272,122421957.7503321,121013044.5854606,120987108.6209807,95458422.39760184,98379049.05009107,100435346.5938616,102947591.9116234,102239050.9315981,107111238.1988444,119492180.0098872,131046453.2162797,137840064.3125802,129895597.952022,131111846.6596158,124855335.648672]
["Com_653_pos","3-Dehydroshikimic acid","C7 H8 O5",172.03745,4.735,345.08215,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Cyclohexenones",177410533.4281483,154251493.3302633,147492965.20219,183231243.3882672,155148205.454718,150517175.4864663,149218989.8421762,113613342.1857387,139401660.4698083,164537783.2764547,150742091.2445578,177965721.4371643,140262309.5373538,143477796.3155623,139619446.0293671,113296719.9802511,117761415.887858,112954469.5735825,150945951.587791,150356399.5784098,160284718.2416135]
["Com_659_pos","N-(2-Hydroxyethyl)iminodiacetic acid","C6 H11 N O5",177.06411,1.301,178.07139,"No results","No results","Full match",{"$nulls":4},118853505.227498,176378132.6349578,114814697.6058156,165027615.9241464,115904249.2160446,102797865.5152144,158253518.976617,88954125.17868288,93325208.1518098,109026136.9102195,111724281.6537559,165559287.6841983,106148041.6892078,99935360.19372857,97861215.52746052,174890602.7989185,119756043.2124596,176937874.5323075,168914700.452624,109718233.8091244,101718538.4145212]
["Com_693_pos","beta-Nicotyrine","C10 H10 N2",158.08466,5.202,159.09193,"No results","No results","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Not available","Pyridines and derivatives",96800800.10590874,11456217.56604581,99247082.82702334,118920227.2030598,114820785.4501583,111624580.0889757,104707368.3221426,103619069.832195,101283958.0480313,125271668.9404158,125270960.1973024,126969119.2262019,119973863.3091874,110147585.186222,124905721.5300688,182549689.1895668,170828741.5131542,191192380.1783354,117805691.153315,120085926.4067568,111444266.1712996]
["Com_706_pos","Propylparaben","C10 H12 O3",180.07895,5.136,163.07567,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","p-Hydroxybenzoic acid alkyl esters",112409673.7189922,144285824.994805,148577900.8318316,132059068.0898552,133546841.0216872,129649624.8117875,108362748.2960298,142138932.8598017,110373831.9063454,129726036.8386331,130717429.601123,134282542.262832,124614102.3041635,130918916.3687057,125692824.4437468,185799762.984631,164563410.1694914,160246234.7863272,118120141.616268,120240471.8795834,142480149.4134078]
["Com_776_pos","Terephthalic acid","C8 H6 O4",166.02706,5.016,167.03436,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Dicarboxylic acids and derivatives","Dicarboxylic acids and derivatives",149847241.4855984,146529883.7131769,156831044.8793661,128027677.7529624,125271152.3827794,122574306.6668638,139754138.7178956,138153090.9823034,127163141.8370571,163333958.6652595,157086604.1560419,147749834.127514,47643804.35326711,130076617.1777483,131899699.6837694,121808307.6715334,123292161.8401089,119272727.6464057,134097245.374592,135571975.1478655,130031884.5851981]
["Com_835_pos","PC 18:2_18:2","C44 H80 N O8 P",781.56232,8.233,782.56983,"No results","Full match","No results",{"$nulls":4},77887557.61441311,89921271.3764556,70606746.43291926,13656061.95833912,13683561.29668391,12764090.59189497,136307589.428113,133720682.6844786,137621422.2329226,56995729.72573124,49295817.01203988,100826634.0897446,85734074.45149441,54853113.08093025,91384971.22753356,63311951.12869194,51492121.92788911,46964383.56893663,116164467.881937,104893345.2993892,144621385.8653668]
["Com_912_pos","N-Acetyl-DL-glutamic acid","C7 H11 N O5",189.06415,1.619,190.07143,"Full match","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",112215626.2729979,125177779.4155193,126442337.2011468,93674120.97622858,95658179.15498053,95681440.94375344,104558071.9531056,110828167.773629,112923555.2101968,86328626.04793054,84234016.67843968,83708880.73760845,97099108.1357556,95287581.85799812,96710804.28436846,87282082.82197382,85378815.52907005,76565788.02272916,85230505.3654961,99592999.78814209,93129437.92814314]
["Com_1078_pos","Hesperetin","C16 H14 O6",302.07674,5.615,303.08402,"Invalid mass","Invalid mass","No results","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","4'-O-methylated flavonoids",101378717.0943662,102926076.2041005,105010868.5970147,22110653.17488505,85769183.83093956,85561811.06418483,74960019.20496361,82834160.7836834,75493187.54041019,98505775.98966768,98936430.43399297,101106854.7110916,83644360.95866251,80914021.40039688,81743297.28673074,108737032.1486164,112130213.3701835,109407521.5875092,94738581.7989661,89145001.10136683,74451956.73552427]
["Com_1211_pos","Laricitrin","C16 H12 O8",332.05351,5.148,333.06076,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavones","Flavonols",71548634.76492247,73072138.2013086,58569910.65746167,66663416.21794851,71338671.55143557,69123736.798898,64578666.37258612,65774464.68859467,68242467.26730573,66491137.90837643,78256177.38981159,72976532.99945316,69978262.56103258,70504706.84836113,77077792.27643795,98674382.1148572,57640766.91119005,96105494.13936669,65871089.4012206,70940136.35639839,85953599.39552793]
["Com_1216_pos","Nicotinate ribonucleoside","C11 H13 N O6",255.07455,1.424,256.08182,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Glycosylamines",86581053.03797604,86810335.65199658,91679375.63603464,69182891.03142768,66161258.21472317,65176359.89146219,72767776.84311597,79461559.19018508,75461727.55010031,70112519.77448052,66359238.98522907,69113417.96628012,71877796.07642026,67623068.19476767,67906597.43321249,74885956.94468419,73633733.53747429,73888763.44336821,72579278.4610438,73410755.05086666,68125706.47508788]
["Com_1236_pos","Dihydromyricetin","C15 H12 O8",320.05376,5.141,321.06106,"No results","Full match","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Epigallocatechins",78937325.137795,83106191.11777832,88542632.06217948,91474258.05060744,90069265.06082672,86627670.39903373,75889197.44912818,77564241.38416989,65153492.61507738,81510875.75229494,81969106.05691783,83697854.62162663,74427871.57464549,70606492.62681763,72245424.45245887,68185331.43272309,69734134.13540524,74930710.79555684,77232104.4726237,91961100.27125075,75758254.48752888]
["Com_1338_pos","Tricin 5-O-hexoside derivative","C24 H22 O14",534.10126,5.591,557.09046,"No results","No results","Full match",{"$nulls":4},57542586.92058928,60102747.24500383,63414473.33890397,59724641.99138804,60314113.52134985,57317339.97489636,51928010.33877492,56567867.53893383,55632718.28226961,55478797.55600201,60044140.74331066,56388585.11185981,87157323.63736588,80927578.27056694,80248705.79736648,59368870.70978066,60339599.72948021,56633980.88565135,61794665.8677197,59946949.05302943,51571538.98720635]
["Com_1342_pos","Phloretin","C15 H14 O5",274.0847,5.348,275.09168,"No results","No results","Full match","Phenylpropanoids and polyketides","Linear 1,3-diarylpropanoids","Chalcones and dihydrochalcones","2'-Hydroxy-dihydrochalcones",69304504.90407516,75764012.04476665,79424334.99080423,76138303.9649624,76069402.08367269,70047637.3838675,45812532.23852422,49276825.52733358,45875868.77863421,61270559.128065,54252947.64065926,50966728.60300278,60342013.71304007,61933225.07631706,65052566.64451542,60817204.09883487,53515651.05588268,58960145.13912801,61614889.7351865,57392103.70206984,59396412.11054785]
["Com_1381_pos","Bicyclo prostaglandin E2","C20 H30 O4",334.21247,7.114,335.21975,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",34979257.96326631,35500267.37841838,38864313.05885097,46648077.78141977,45676095.56518593,43861200.29560737,56014413.41906796,51944428.71185355,52585177.25321495,58702722.86845879,57592960.10001989,63096172.98789133,77352563.56889947,72478287.52554332,74203337.37846711,82897852.27419326,81236579.03506476,75323485.11149573,57117868.0221747,57790192.97774149,55492958.75771877]
["Com_1383_pos","Olivetol","C11 H16 O2",180.11553,6.086,181.12279,"No results","No results","Full match","Benzenoids","Phenols","Benzenediols","Resorcinols",73311923.11957432,72550310.17468467,74759659.65570706,71965215.11041537,72362447.22127974,67456074.61743332,73205517.20856112,74480738.05083577,69403267.37412387,59713445.3770759,61008851.07223891,66047075.98155454,59930720.34253494,57254821.77487455,60161112.11206319,71714630.81562304,76477582.63763064,74640317.37351558,72641561.7286919,66428008.00873253,64198351.65088767]
["Com_1482_pos","N-Acetylglucosamine","C8 H15 N O6",221.09033,1.283,222.0976,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Acylaminosugars",65127716.40290006,64629892.1413211,71657364.02244215,69077947.94046013,65851434.95966341,68430504.30689561,67801254.92326066,68342949.40667836,68591068.91893205,65464189.60734828,45789282.51208182,62090932.4428135,66822123.28725521,62715508.47705415,64189665.58416716,55906186.93111286,53977948.39550439,59236920.45844673,64439569.6875535,41133931.09702688,60151158.57163604]
["Com_1528_pos","gamma-Glutamylglutamic acid","C10 H16 N2 O7",276.09615,1.28,259.09281,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Glutamic acid and derivatives",11102788.28568687,13510173.82964303,13176571.89136369,30449380.40848846,29611112.58723252,19525474.51360953,43038075.50479773,41856807.89677464,39006678.19469539,39752050.48492386,38822084.99811254,51378721.90671805,47692732.39421773,36483997.27031543,47706156.14007872,69299337.98718548,71153210.58499305,74040944.58248511,43324876.8149049,33648891.01545767,30465700.11034942]
["Com_1529_pos","5-Methyluridine","C10 H14 N2 O6",258.08552,1.279,259.09279,"No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Not available","Pyrimidine nucleosides",11102788.28568687,13510173.82964303,13176571.89136369,30449380.40848846,29611112.58723252,19525474.51360953,43038075.50479773,41856807.89677464,39006678.19469539,39752050.48492386,38822084.99811254,51378721.90671805,47692732.39421773,36483997.27031543,47706156.14007872,69299337.98718548,71153210.58499305,74040944.58248511,43324876.8149049,33648891.01545767,30465700.11034942]
["Com_1557_pos","Dihydrojasmone","C11 H18 O",166.13625,5.959,149.13292,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Cyclic ketones",28162865.10410061,30176142.40496052,34351427.69556085,73518237.85890894,23545157.70326428,25380556.14372816,21843312.89951706,25262235.24588057,26554494.82498762,27855202.50587868,39910241.42949074,28489466.15139249,24651997.43487065,19994136.93883153,25305335.60441689,26477604.19113363,25563668.222476,22528751.7308339,24927572.3652649,23597466.32248155,28068124.4453236]
["Com_1601_pos","C-hexosyl-luteolin O-p-coumaroylhexoside","C36 H36 O18",756.18686,5.619,757.1941,"No results","No results","Full match",{"$nulls":4},55736076.27341139,60691649.71009848,62513927.68679706,31229171.66839441,30126661.20751518,37519431.3832731,26333648.88335909,22243101.56995311,21819711.02307587,56930119.44701573,36263631.69723212,32864771.69331305,27133721.96158497,27975686.0563975,26255560.68138474,16645276.51437086,19489465.26565126,20072178.61333274,34833748.3332685,34814171.86276963,29210851.8978227]
["Com_1604_pos","2'-Deoxyadenosine","C10 H13 N5 O3",273.08503,1.345,274.09231,"Invalid mass","No results","No results","Nucleosides, nucleotides, and analogues","Purine nucleosides","Purine 2'-deoxyribonucleosides","Purine 2'-deoxyribonucleosides",60196731.14780306,57716242.36770486,61616659.98190659,12214160.2240796,45457820.63822595,46656736.07338025,65547445.53882954,67010286.58842861,64709702.82752411,52295001.22431957,48927423.5905594,52452165.25663418,37694893.43384323,36543419.78008252,36769591.29970065,20970761.82754436,20336643.88112992,20553305.04197716,45641019.5854709,46354578.82143505,45768781.65584363]
["Com_1671_pos","(5-L-Glutamyl)-L-amino acid","C8 H14 N2 O5",218.09089,9.441,459.17099,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","N-acyl-alpha amino acids",45950218.0184999,47538606.62531448,48524871.7486929,50437518.28511336,52008771.89601278,54712862.35344213,55570482.32677388,54356275.27339819,56476038.51248796,55583886.95481543,53275876.04257976,58296206.75213146,59490599.87523019,57745249.46111453,60894804.84785856,65456472.46115486,62910438.37890765,61251270.79968707,53472233.3506959,59225096.78424782,53880323.88154505]
["Com_1781_pos","L-Hydroxyproline","C5 H9 N O3",131.05872,1.326,132.06592,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Proline and derivatives",53293152.48169306,52745634.5224792,54414734.83480553,58986148.44835492,53934351.99745365,56726059.75645877,57448783.76381599,56630143.69461648,54934292.54456737,57245613.14571644,54616147.69977199,54565003.98780563,56183918.92857422,55815203.17650355,55150922.86148848,29855467.89470864,27545499.9681108,57335181.6594699,55522722.5700558,55553764.18687854,52014143.29462591]
["Com_1782_pos","Apigenin C-pentoside","C20 H18 O9",402.0957,5.584,403.10246,"No results","No results","Full match",{"$nulls":4},53289599.72953552,44523370.61428685,47441563.01092374,27222183.38210484,38049085.45483256,22802889.79109818,41455708.05196955,21024373.33306683,38769955.87953739,19219124.06669781,26482482.45665748,30224957.41392911,29623859.12435048,25892278.53332465,27900254.64252407,21462768.54471898,21937287.00673092,26151584.66257523,26084098.8523513,36222437.48856115,19812925.6740397]
["Com_1914_pos","Glycyl-L-leucine","C8 H16 N2 O3",188.1165,3.009,189.12383,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",23721475.32889064,21435141.8136574,22408468.03915247,50344675.93392261,52278898.95223501,56832960.83175808,42649327.00305481,45872102.62509998,44554953.45915585,35608298.68248405,37673902.16583098,36882981.36639933,32889493.94511236,35127823.21824418,32146685.44677861,27414462.87783576,19024033.90206795,24241133.04418832,34211032.1826987,36416527.854444,34034429.28276451]
["Com_1986_pos","6-Phosphogluconic acid","C6 H13 O10 P",276.02496,1.307,277.0323,"No results","No results","Full match",{"$nulls":4},44474326.54682943,47069982.51663548,49704439.48146652,29489071.0616005,29028502.22760678,31307777.81950929,32260138.9037496,30847776.45932884,33126598.51158053,30341306.06768514,29072276.95104662,31138612.80730208,32224204.19188347,30290221.10832081,28958393.89727495,30835851.48574255,30683274.8577746,31931695.59278975,35639811.7243913,32354742.92377231,31488902.42692605]
["Com_1997_pos","Prostaglandin A3","C20 H28 O4",332.19668,6.531,333.20395,"Invalid mass","No results","No results","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","Prostaglandins and related compounds",34167117.25295538,36120222.50890081,38186472.8761204,39269742.34360107,40181667.14601675,37860264.66606508,42906730.31048514,41244931.44582622,43208690.61683829,41248268.99376558,43986647.49939852,42870836.53430547,37761736.22249026,35887414.8838103,40910181.63424442,52621274.78345128,51315517.85817545,51278782.1130339,41869082.4069391,40363115.27462798,39338607.84073359]
["Com_2084_pos","Swainsonine","C8 H15 N O3",173.1056,1.451,174.11282,"No results","No results","Full match","Organoheterocyclic compounds","Indolizidines","Not available","Indolizidines",2005913.411459994,39546787.78311508,43745555.70346216,45066520.73015781,46440903.10928365,45697228.65574576,40342520.35429883,49429339.57863428,46960808.35936591,38918064.63513544,37861409.08199979,36862909.55639956,39554689.81746922,37170765.59324285,38059174.52293628,30134302.59694824,30040446.2063744,30792081.02430198,40323717.8356412,39426089.58489046,31721306.54845176]
["Com_2168_pos","Sattabacin","C13 H18 O2",206.13118,5.404,207.13876,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Not available","Benzene and substituted derivatives",27381929.97105544,33060663.3833505,39775412.98781417,23771117.80729699,16091812.84633837,30141439.8965463,33918099.26598439,31179130.05959142,21559896.13375609,29343070.87910176,36455025.12567511,18809228.14860283,34343450.09135366,20299785.99990964,33718488.95940372,26024701.00548812,47447987.28517035,48173592.51253671,32930071.7465036,40603797.40083397,31912100.48928353]
["Com_2440_pos","D-glutamine","C5 H10 N2 O3",146.06942,1.469,147.07669,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","D-alpha-amino acids",23358990.92668236,20318463.03655453,25086931.05151096,27658913.76132963,29250479.94278361,25993699.87722703,32181189.00100875,38014303.72163056,32918349.92405348,17854806.75733553,17170176.18967591,17371837.66133544,23483342.44414897,22477499.63185281,21038354.92328737,39329924.33649551,40424810.58635068,36917955.27944101,32544471.7906674,28266653.91215537,24273862.20510881]
["Com_2448_pos","Lysope 16:0","C21 H44 N O7 P",453.28581,9.419,476.27499,"No results","No results","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-(1Z-alkenyl)-glycero-3-phosphoethanolamines",29732203.09490132,15699429.98144063,28693821.54158051,3585405.193429909,1478979.628571372,25806461.8610291,23931421.7009328,24894547.74734398,24853878.96910492,10743197.52528226,4412641.914170795,19677470.37111727,39029046.01353342,40240174.97124791,18305788.19604716,723275.4830111734,7379693.923887935,35923522.16770863,17672568.6033828,13838110.57998068,20592068.0733553]
["Com_2466_pos","Methyl syringate","C10 H12 O5",212.06813,1.217,251.03131,"No results","No results","Full match","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","Gallic acid and derivatives",18716358.35119065,17217829.85246268,19297717.13915323,25572338.10945633,29907639.18316009,27344009.54522596,24587330.79798045,24577340.86630052,22967833.12219551,28724633.01450768,30569748.61077876,18523267.62120205,34652564.38757645,33217492.30752924,34609594.70433109,37009328.63166261,40006506.74250477,39144872.96209764,29014425.9050276,33344907.5782691,26754884.39674355]
["Com_2515_pos","Gossypol","C30 H30 O8",518.19512,5.554,519.20225,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","Sesquiterpenoids",15803520.51926696,33988398.36536872,32639024.93338554,32793007.26287284,7347093.088408902,11151661.80053807,33060964.96618821,23162886.81361911,36137895.0098492,3041502.617524904,29935847.07056383,27146320.69430581,16969917.52177143,30366870.44856866,39992031.77665059,26424235.9651356,27611382.99092988,11234024.55924463,16751344.6644705,25271941.81961061,31098397.00445238]
["Com_2579_pos","Scutellarein","C15 H10 O6",286.04854,6.246,287.05582,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid-7-O-glucuronides",33085904.24833535,13765606.3765805,35968554.11049779,25599401.0243752,30973566.8964235,31665055.16731709,33795051.14394302,26209037.65993298,34037913.87824209,32362962.96285028,29986321.88207033,24915440.74224526,27740997.91215901,26428349.41709575,27537683.51749479,27713947.08430221,20403406.03960493,29160911.04300639,24989167.58796,30130023.81677956,26526307.40757806]
["Com_2659_pos","Thymine","C5 H6 N2 O2",126.04232,1.382,291.04759,"No results","No results","Full match","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","Hydroxypyrimidines",30047216.35750458,27795437.53369294,29615905.88347978,32786699.51566171,33038461.27225764,35423011.53489164,32524245.70693583,32188500.75317461,34843597.0190291,31255998.16329122,30499785.40656115,32968428.13284864,31731674.73601522,33175697.84966623,31770191.02232649,18199478.5027836,30171800.11583796,33475188.50547595,32280627.2549129,29322065.34447417,29502067.28267151]
["Com_2946_pos","Gamma-Glu-Leu","C11 H20 N2 O5",260.1375,2.18,261.14476,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Dipeptides",14405323.80631101,16038239.20592312,16071763.01959788,29609607.35294963,29320170.52947244,30813288.23578918,16038898.66411789,27909107.51979889,29944631.35890746,12660469.52710535,21298720.81352254,12449120.03382788,16719653.78326133,30928038.4039886,16675964.45327939,4474368.701023938,9882125.388183262,8107228.561380572,14108999.1614124,15999823.89786366,24634363.40943088]
["Com_2974_pos","Corilagin","C27 H22 O18",656.06241,4.979,657.06968,"Invalid mass","No results","No results","Phenylpropanoids and polyketides","Tannins","Hydrolyzable tannins","Hydrolyzable tannins",16528192.60887095,15709051.10697506,15481332.37352925,17576484.59657288,16309084.56315537,16213789.38693416,15324204.9196201,16740263.25800184,15133269.65098438,15998936.54653628,18656148.1415919,19844799.05522811,16479197.90586974,14354712.421234,13825261.8324135,27715424.4397696,28872217.92382199,31157797.74739789,17872900.1800528,19401451.69905159,16350961.18583497]
["Com_3018_pos","Isoliquiritigenin","C15 H12 O4",256.07401,5.404,257.08128,"No results","No results","Full match","Phenylpropanoids and polyketides","Linear 1,3-diarylpropanoids","Chalcones and dihydrochalcones","2'-Hydroxychalcones",22402284.57153846,22349222.74420771,24744742.26456448,31457210.53937058,26446267.21397211,21359613.82306954,22242680.33775542,19902868.25553052,25173917.68234783,25220529.13767733,22549768.37917401,23084751.43462961,23816327.33442397,23158360.83816995,25178028.7917827,25380434.13534555,23471627.97597005,27510521.80436938,25544286.3585028,24673795.1198862,23922478.09130809]
["Com_3182_pos","Isomucronulatol","C17 H18 O5",302.11585,5.451,285.11268,"No results","No results","Full match","Phenylpropanoids and polyketides","Isoflavonoids","O-methylated isoflavonoids","4'-O-methylated isoflavonoids",20325380.08345451,24902284.18241892,25281028.11178642,24428886.26624379,26428500.30761718,24571034.83481749,26862983.44306157,23060756.81279353,22952078.80715863,20920464.12625032,20351889.45981057,24502324.30542201,21994316.02589432,16584197.40113774,17412037.41286421,23424883.68011241,3369664.106170425,23490780.0590028,22488531.6474175,26943946.36113265,19933947.05770701]
["Com_3311_pos","Tricin 4'-O-(beta-guaiacylglyceryl) ether","C27 H26 O11",526.14735,5.463,527.15462,"No results","No results","Full match","Lignans, neolignans and related compounds","Lignan glycosides","Not available","Lignan glycosides",5454972.003338457,8292706.134113802,9537332.483936436,15153660.75981782,14998619.38932087,15489541.48343285,14044388.62103411,13449309.04940126,15534221.80752582,12431243.03551914,11716005.45557381,17807019.3806521,19693527.03896643,22402361.89380542,18568881.60194318,25485700.45437979,23082168.79871105,26930253.39806152,16560521.3671936,16320732.28767539,15571837.86017033]
["Com_3338_pos","6''-o-acetylgenistin","C23 H22 O11",474.11406,5.001,475.12134,"No results","No results","Full match","Phenylpropanoids and polyketides","Isoflavonoids","Isoflavonoid O-glycosides","Isoflavonoid O-glycosides",13005756.65827055,22650144.84313215,12372471.50124697,9887659.05755506,9360481.055670826,3771770.755212509,13547735.75479924,22002214.22788544,13792573.21123197,16270878.69887171,16769752.33842943,27012402.08256968,12960688.95635616,12085052.66374878,15111023.7618718,13338093.75864384,13163729.1576534,20572763.40658887,14181556.8685615,12867535.99110632,8546865.434503034]
["Com_3540_pos","4-Pyridoxate","C8 H9 N O4",183.05381,2.336,184.06108,"No results","No results","Full match","Organoheterocyclic compounds","Pyridines and derivatives","Pyridinecarboxylic acids and derivatives","Pyridinecarboxylic acids",16856553.81665862,13881720.70793468,17966040.40403093,23512090.56253344,25059169.74898461,17668918.09745463,22765512.33871908,23534967.39404381,18131555.22953433,19054474.60748623,20035469.45823473,17044371.91521465,19455825.80845812,19438722.10677509,15998937.19693264,16380194.7660627,15825515.63668399,17211071.23128558,21152675.7030902,16795206.71865672,15978639.71845908]
["Com_3545_pos","Schisantherin A","C30 H32 O9",536.20514,5.577,537.21199,"No results","No results","Full match","Phenylpropanoids and polyketides","Tannins","Hydrolyzable tannins","Hydrolyzable tannins",14248441.0034524,21187831.9656526,13646088.53288322,2895825.123002428,10820695.73045464,18807415.61789181,9592395.836544313,17021459.12206918,12224768.67888168,18212878.95038864,20208375.09906641,15530892.17424847,13877946.87065694,11252857.92331705,11171474.81029161,4536270.414972915,11284441.33825469,9920715.657119548,11955364.2065254,12227866.55137643,13413707.90721439]
["Com_3568_pos","N'-Formylkynurenine","C11 H12 N2 O4",236.07983,4.874,237.08742,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",3843387.633082087,3399728.214412552,3252671.105642973,6213810.266915389,5814004.037601262,6103772.591222714,9541224.191163976,10877149.07115688,22708878.00454547,2997040.901572707,4179473.250439841,5027113.300600555,3025768.838532258,2449011.935043158,4428085.524651781,798580.266583992,872819.6312456919,1313118.14912772,5217907.1822173,6663494.075910904,3487471.233081242]
["Com_3640_pos","Wikstromol","C20 H22 O7",374.13692,5.476,375.14426,"No results","No results","Full match","Lignans, neolignans and related compounds","Furanoid lignans","Tetrahydrofuran lignans","Dibenzylbutyrolactone lignans",9302962.7113637,9079237.310539408,8875800.224974984,9103661.711661248,10393705.61602036,9910471.881696563,12604675.82179752,10687081.88479806,11765097.89229632,6030142.375852365,6585166.087721397,5374890.098802274,20843054.88384949,9970349.195259662,10428264.4591121,10938396.99235708,11138881.86399952,23242402.06134912,9643613.05617707,9723622.2365886,8524857.272842778]
["Com_3862_pos","2-(Dimethylamino)Guanosine","C12 H17 N5 O5",311.12186,1.288,312.12915,"No results","No results","Full match",{"$nulls":4},14864117.89240078,17202606.01645273,17650447.93187269,13634719.32118843,12741644.05839643,15458143.46016902,20349672.42874128,16971079.24130138,16956224.29326995,18315741.34186103,19387590.59445428,18581846.65502171,12918028.44029341,13136069.13283735,13649075.04159029,6251386.598260589,7989588.910898536,8237801.766482805,15453526.7817815,9889776.728853475,13629393.09178609]
["Com_3870_pos","LPE 18:1","C23 H46 N O7 P",479.30164,9.492,480.30895,"No results","Full match","Full match","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","1-acyl-sn-glycero-3-phosphoethanolamines",5695507.510788189,5843338.411302162,6048846.588546699,9663101.2692169,8566965.790646262,9091937.502415702,11049511.09492738,8338907.666873945,8587722.638560155,8124741.414091615,8703702.016912222,9130163.561477376,7845493.654830511,8465143.08590443,8170047.422670561,20927810.96461176,13013076.39846503,11732456.42951877,8128684.58394926,9977759.010260137,9922650.677606547]
["Com_3902_pos","Pseudolaric Acid B","C23 H28 O8",432.1769,5.667,415.17375,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Terpene lactones","Diterpene lactones",18305502.575247,14207430.07897188,15278936.94072333,12650715.76888074,15692643.7805621,14435978.21685741,13652366.2726434,11089698.86328623,14262998.98307075,14217672.87446873,13931525.80097891,15279887.68097857,13162843.62814883,11291046.52922027,11228740.84705662,11259117.25297267,11145366.45792557,10301612.0928001,13797516.9435656,13886550.51289584,11839237.60127275]
["Com_4021_pos","N-Acetylaspartate","C6 H9 N O5",175.04853,2.333,176.05579,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Aspartic acid and derivatives",13898787.5247038,14489527.36178118,16058419.1003934,16689401.20216952,16099879.7855374,14163397.62627938,19152129.30066183,15556646.67977753,15988117.91523536,13600699.80765269,13681065.38200435,14530268.19520481,16465926.04316228,16721725.43283351,15808110.5560591,17942887.96552075,16546809.11820987,17531081.51780566,16354387.0861377,15518929.25968232,13545552.3579282]
["Com_4125_pos","L-5-Hydroxytryptophan","C11 H12 N2 O3",220.08517,3.663,221.09247,"No results","No results","Full match","Organoheterocyclic compounds","Indoles and derivatives","Tryptamines and derivatives","Serotonins",15065436.34052594,15111221.33837609,17865662.49425428,16352666.4866638,12879329.25564887,13332505.67201578,14134261.6226047,16323131.15091608,13767186.78669684,13403088.87861741,12959030.58699037,13411850.75205022,12757678.7268161,12808350.61682458,11927987.82890805,14774806.60517542,16750805.5735716,14958835.61895207,12423365.3264438,14976202.64255312,13307922.24445919]
["Com_4126_pos","Gly-Tyr","C11 H14 N2 O4",238.0957,3.655,221.09244,"No results","No results","Full match","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","Peptides",15065436.34052594,15111221.33837609,17865662.49425428,16352666.4866638,12879329.25564887,13332505.67201578,14134261.6226047,16323131.15091608,13767186.78669684,13403088.87861741,12959030.58699037,13411850.75205022,12757678.7268161,12808350.61682458,11927987.82890805,14774806.60517542,16750805.5735716,14958835.61895207,12423365.3264438,14976202.64255312,13307922.24445919]
["Com_4192_pos","Schisantherin E","C30 H34 O9",538.22013,5.651,539.22741,"No results","No results","Full match","Phenylpropanoids and polyketides","Tannins","Hydrolyzable tannins","Hydrolyzable tannins",15156857.99336081,16433189.07055738,16955874.37193916,12679649.53907299,2960166.333197617,12658772.25299796,15419353.70260271,4389111.572028951,15978092.72734038,13718176.69639751,13052913.79956394,14909506.42405786,14130709.98425703,13061321.171098,11711808.42800524,12680032.28636778,12694696.313465,7695899.76360078,12282371.7191505,14344443.85023788,12979552.83886334]
["Com_4204_pos","Salvianolic acid B","C36 H30 O16",718.15678,1.253,719.16401,"No results","No results","Full match","Phenylpropanoids and polyketides","2-arylbenzofuran flavonoids","Not available","2-arylbenzofuran flavonoids",14098038.78714943,14120941.82080139,16088626.15332079,15743769.21133534,17820343.35966154,16956876.0959248,15969058.03637254,15485349.86105145,17653852.19114606,16559161.51179789,16024730.00629402,13538034.05723934,16287884.0948465,14688125.34427787,15590632.50188282,16119200.88331262,17220377.32720576,16791645.48346149,15913807.6770452,14685517.52029506,12725904.2680521]
["Com_4291_pos","3-Hydroxykynurenine","C10 H12 N2 O4",224.08004,3.67,225.0873,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","Alkyl-phenylketones",1810200.562730592,1828951.044326008,1814610.454272604,1648656.327894455,777846.5932117823,1165104.006407911,2872200.411849373,3850725.23606459,3840278.041209883,2462299.986674766,1657746.098691531,2030194.847328175,17130571.8262434,17955761.68137985,17717824.2621578,4254295.390593854,4026157.365064084,4253883.650156367,6077062.36549453,4493951.523404157,5176136.388661422]
["Com_4539_pos","Wogonin","C16 H12 O5",284.06855,5.101,285.07583,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","O-methylated flavonoids","8-O-methylated flavonoids",5037443.354905542,5353747.507811368,15605137.74233381,5149793.792078498,1844327.385051097,5628266.322477957,4709600.968856645,3922457.429399152,4026842.341105896,3917112.661086918,3416557.190149341,5987320.067287506,3865755.391771852,2310796.580192128,2241801.091008195,6917736.764535154,1510779.594332458,1757120.868158504,3271716.6350367,4235541.756896862,3435100.15074553]
["Com_4541_pos","9,17-Octadecadiene-12,14-diyne-1,11,16-triol","C18 H26 O3",290.18853,6.335,291.19563,"No results","No results","Full match",{"$nulls":4},3804837.577100668,4764926.037381649,4777731.952465556,7814479.446127789,7168281.414701628,7447998.771157136,7927575.041225141,10736294.86221308,4209485.315258463,4864101.820382132,2730612.680073204,6020675.005482206,16783197.45141595,10981788.71817054,9441402.598045874,10685393.52408264,7317427.052977042,4504138.492873641,7429467.41771309,7126836.871442072,7541105.243032742]
["Com_4598_pos","Ellagic acid","C14 H6 O8",151.00319,3.66,303.01358,"Invalid mass","Invalid mass","No results","Phenylpropanoids and polyketides","Tannins","Hydrolyzable tannins","Hydrolyzable tannins",12269500.9293959,13732317.49441916,15308650.8829462,10281114.7313828,10757206.81249068,8941662.306605417,11417015.39991021,10910014.23277773,11256101.26069802,11364100.1268694,12327999.44038315,11601973.51630126,9309272.301452547,10689424.80320796,10937534.94894317,8859422.513279626,11308299.43742086,10852173.9679121,12319045.9719168,10704510.23408292,11636188.78590244]
["Com_4723_pos","di-C,C-pentosyl-apigenin","C25 H26 O13",534.13516,5.583,535.14206,"No results","No results","Full match",{"$nulls":4},12019283.78844023,13777902.37711056,14443276.56788254,10842054.13224076,11609080.99599679,9972141.18950385,9041391.590062777,3796685.323853866,8690500.632261917,6661395.601886014,7078239.075683628,4306704.665065983,7900129.244937441,4117055.869099993,4400463.550439285,9886065.384944092,9526484.22894526,8076335.286931259,11738625.7034847,8323017.011453754,9186457.003706831]
["Com_4733_pos","Trilobatin","C21 H24 O10",436.13513,5.588,437.1424,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid O-glycosides",9587032.599281164,10695431.08972601,10261307.35297221,8809564.279262733,9111071.516674122,8827820.313017244,8734748.855284337,10793785.00777524,9891688.01199364,8918714.967798308,8574380.783143787,5474407.014671104,4355522.619192714,9243809.505766183,9884160.388936682,10274898.27527534,15465007.44701024,12045230.38222583,9385360.88230455,9357319.23039177,7459536.072732053]
["Com_5006_pos","Vaccarin","C32 H38 O19",726.20076,10.501,727.20804,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid O-glycosides",12593944.2039571,12177113.43089025,12280053.52559508,9744345.218346087,9626227.44471341,9003413.303174827,10208282.46449267,10585162.74415861,8967269.307484997,9519155.628659472,10554730.64640527,2893394.134269708,10744598.83785079,14053855.5443389,11166636.27709505,7476950.71483711,8755959.794499626,8538430.0225086,11373415.0549947,11741886.91203148,12711120.7627873]
["Com_5167_pos","trans-Zeatin-riboside","C15 H21 N5 O5",351.15343,1.417,352.16071,"No results","No results","Full match","Nucleosides, nucleotides, and analogues","Purine nucleosides","Not available","Purine nucleosides",5487942.11369734,6563679.288182372,5406873.314036196,11376426.45039928,8689362.231837425,11158089.7352234,12008577.01782379,13241317.73824253,7616234.580392603,5711607.605860826,6417856.377287381,13198140.27023706,10254802.081872,9951997.699601108,5052384.406952955,5840369.245616244,5497067.420800432,6781992.915308601,11406662.1321821,5893001.524371719,6833534.463585364]
["Com_6271_pos","PC 18:1_18:2","C44 H82 N O8 P",783.57369,11.621,784.58096,"No results","Invalid mass","No results",{"$nulls":4},5209310.587715703,5828035.401227024,3887696.727753679,391625.4569288677,332104.3483104911,341467.2024192458,8037746.998937146,8712735.788992325,9274309.251771614,3330822.210219045,4241887.913855539,4869144.972531773,6666900.67854968,5661461.882771872,6522664.81599539,5513118.853848814,5007099.470440913,3474169.414294361,7111880.0449105,7082281.420323889,7345662.538493838]
["Com_6564_pos","1,N6-Etheno-2-Deoxy-Adenosine","C12 H13 N5 O3",275.10088,5.103,298.09018,"No results","No results","Full match","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","Purines and purine derivatives",7835126.526210329,6971727.744267682,7408806.582977114,8770098.918036707,6732814.191145223,6361842.122211995,4268153.308580236,4170475.242400781,4196351.949842295,7118726.295250101,6552843.750135061,7053461.164819231,7569597.698202448,6276699.449780763,4105659.024057083,3572252.469082775,4973468.872277522,4042987.916802472,6807647.4939574,6587188.166870383,5171941.49852912]
["Com_6844_pos","14,15-Dehydrocrepenynic acid","C18 H28 O2",276.20792,8.891,277.2152,"No results","No results","Full match",{"$nulls":4},6103377.718628569,5815223.576872959,6285299.403222385,6643653.654272364,6017099.91712511,6292072.835906791,6235450.743840394,6024590.444281981,6310317.022365603,5501626.178731981,5675805.311823547,5802973.048436208,6102846.961515811,5403642.188497893,5714200.284486599,7120904.248733654,5744073.985283656,6723453.660458921,6047827.83723127,6217223.468234025,7592602.846210971]
["Com_6927_pos","Raffinose","C18 H32 O16",504.16673,10.335,505.174,"No results","No results","Full match","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","Oligosaccharides",2163742.289645587,2330059.380000702,2515367.129508551,4399771.060145207,4223125.621995999,4306218.489385549,4951120.020741158,3538681.019933183,3821287.395438528,4209485.966388893,3616560.552002777,3871927.309932729,3932898.664732757,4027279.397530606,4373921.949971659,7978644.705311713,7063762.087893683,6283135.282646106,4801326.27108889,4865459.991525931,5505827.243673705]
["Com_7120_pos","Thymidine","C10 H14 N2 O5",242.09062,3.672,243.09787,"No results","No results","Full match","Nucleosides, nucleotides, and analogues","Pyrimidine nucleotides","Pyrimidine deoxyribonucleotides","Pyrimidine 2'-deoxyribonucleoside monophosphates",6022081.140743125,5960573.096739668,7167855.396285588,6354968.542423854,5560668.964801444,5702810.54503915,6593624.107772757,5927618.133749858,6781981.317231067,4982089.451720784,5789779.266997948,5331881.953650844,5751396.046683805,6791561.842320174,6231051.260203067,6064349.15923384,6493935.413702961,6099858.520680237,5921294.69576034,6244474.715954561,5770875.776131563]
["Com_7132_pos","Desthiobiotin","C10 H18 N2 O3",214.13218,4.887,215.13953,"No results","No results","Full match","Organoheterocyclic compounds","Azoles","Imidazoles","Imidazolyl carboxylic acids and derivatives",3757794.893318058,3357359.69363099,1818216.31634431,3333497.587805114,3384669.553054825,2562154.910708285,4196846.977336608,4976196.075535193,4384910.85524455,3004636.422108067,7543536.612271192,3336454.644676028,2632982.112239569,3158103.236809683,3190335.881774816,3282962.402343725,3060436.734930644,3931720.830990789,3721817.19700076,3532629.169668699,3805315.452345976]
["Com_7989_pos","Isobavachin","C20 H20 O4",324.13613,5.786,325.1434,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","8-prenylated flavanones",5332368.090484192,4754273.604891242,4408335.544230044,5464288.917801739,6053766.533225004,1585730.104733794,5162760.378160559,3417228.65862601,4879157.307446713,5101803.762359238,3905440.936162589,4296773.422342271,3966458.457506505,868786.0877906218,4310172.947024742,4246123.035408732,4358914.868337515,3712548.049042016,4274624.96681635,4004251.288289493,4512338.286064229]
["Com_8212_pos","Orientin","C21 H20 O11",448.10065,4.986,449.10791,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","Flavonoid 8-C-glycosides",4399053.634501684,4954690.798008257,5247960.43666858,5133015.815826115,4164185.679643941,4575090.034533103,3731777.661501761,5210702.026305189,4488787.785740731,4825819.099302458,4046925.080912246,5797852.628846064,2951232.573614501,665776.4919533985,1499523.304912413,887470.3478620771,896126.5531886666,1241590.056878088,4042463.04092607,3994941.764698088,4095685.537704381]
["Com_8385_pos","Licoagroside D","C22 H24 O10",448.13512,9.435,449.14239,"No results","No results","Full match","Lipids and lipid-like molecules","Saccharolipids","Not available","Saccharolipids",3991170.257276434,3738525.603160858,4234558.626212741,4349240.462914221,4690848.018151454,4366771.456607232,4215511.763432998,4189762.791121508,4585639.226633298,4494956.745276323,4586060.371837991,4659156.797031806,4765822.813629516,5082294.608663352,4922770.286189995,5396761.383033166,5275121.148077574,5296798.255815983,4520439.30211691,5139888.229839283,4497248.079946422]
["Com_8466_pos","Isosilybin","C25 H22 O10",482.12164,5.379,483.12891,"No results","No results","Full match","Lignans, neolignans and related compounds","Flavonolignans","Not available","Flavonolignans",2080250.769334653,2105373.258524406,2137568.358070537,5501791.752672209,3019360.306284814,2670800.981421396,1979096.702473952,2341055.726911306,2249748.116883173,4413998.474619853,4131855.017584839,4237339.220860789,2462583.228038496,2263864.449273816,3424493.545751666,2679759.518197862,3311497.952811924,4854196.32296132,2607570.4815319,3460972.660764851,3808686.284360785]
["Com_9246_pos","Lathyrol","C20 H30 O4",334.21516,5.9,335.2224,"No results","No results","Full match","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","Diterpenoids",3251623.62900485,3048149.552929822,2994427.659042817,2634815.018430747,3286751.3197892,884027.9692311737,3407932.487379157,3016247.73958574,3173876.41601571,4131844.173541192,3726119.278787336,3621447.899282949,3151411.369451667,2644442.331356632,2949852.968121585,2009959.76233874,2319865.666475198,2136181.884638017,2482170.78781022,4120191.072522245,2767243.260154552]
["Com_10642_pos","Gallocatechin gallate","C22 H18 O11",458.084,11.046,459.09128,"No results","No results","Full match","Phenylpropanoids and polyketides","Flavonoids","Flavans","Catechin gallates",1931966.400651774,1757482.833465177,2367029.103061718,2412716.812855599,2693009.033541886,2324231.512959519,2420793.924019404,2493854.395492499,2730317.717428335,2101061.842847443,2617076.570428405,2831218.460494502,2706029.545273767,2734905.18690601,1995172.635722806,2102222.826306956,2423436.1388949,2073351.538883468,1930756.72820926,1992384.302115116,2592768.514743463]
["Com_10647_pos","Polygalaxanthone III","C25 H28 O15",568.1435,4.814,569.14896,"No results","No results","Full match","Organoheterocyclic compounds","Benzopyrans","1-benzopyrans","Xanthones",2086720.90682439,2067340.155895021,1616145.853527572,2450181.325601445,462905.3862591923,2038179.727427086,2024027.679011544,1993012.447163292,2157253.890642352,2438880.171753033,1880069.310102324,2729102.978127878,1947727.240460064,1727523.426801926,1906604.215075301,2115119.854722654,1152432.612439589,1709487.696578762,2456529.4311808,2739320.260716094,1653954.668787315]

{"sheet":"Supplementary table S2","index":1,"n_rows":68658,"n_cols":19,"rows_kept":4500,"cut":true,"bounds":{"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0}}
["Supplementary table S2  Differentially expressed genes identified by transcriptome of Niangniang tea"]
["gene_id","CK-1","CK-2","CK-3","2h-1","2h-2","2h-3","4h-1","4h-2","4h-3","6h-1","6h-2","6h-3","8h-1","8h-2","8h-3","10h-1","10h-2","10h-3"]
["CSS0030935",4518.51190907492,4579.98980464906,4400.787309997,9812.63751892867,5880.95120778826,6897.41141943877,7101.31474333117,10380.5550665379,9942.52351173297,22208.9921606205,9241.79004518763,17403.1853597869,22190.4331459168,21179.423866843,18882.4489199671,8845.55021945478,26777.42589283,25804.3668380229]
["CSS0043717",2212.82037899495,2307.47754819634,2057.99694243646,2613.07852844779,1310.13876527916,2004.41164356672,2758.22124451676,3209.91037709911,3102.766902793,3620.25433417425,2309.21522819172,3322.29136075576,5383.83189017132,5251.74332586745,5251.69489186951,2071.97526345672,3387.04030766671,3083.93322043918]
["CSS0028701",6724.27564623208,6788.88164632023,7277.07450185437,3526.0939380823,3441.55553217383,3726.2818244351,4310.40388024539,3378.78188061396,3664.09608202663,3676.55717956755,3998.05090712542,2986.2848391525,3172.13347335467,3161.27911985722,2943.36940066839,1653.99939256192,1715.770090159,1809.26899396838]
["CSS0043962",1860.18043346198,1809.62180286262,1545.92229559945,3416.86331224493,1352.65578298962,2044.31585475065,1139.69678138387,1599.82710646762,1482.71005518383,3445.3173798564,2121.71359261936,2700.17355355465,2764.46636289744,2492.652760207,2319.06605193335,1009.53886677956,2180.30252894744,1890.39158546789]
["CSS0011421",4686.83390284826,5052.71537669821,5143.77132333025,4022.06028692491,3949.97381240501,2659.92434996097,3772.56910355682,2167.1651158257,2256.17362062577,1965.16067077593,1217.50761872866,1557.14200557478,2716.90005359972,2012.49336693825,1865.44313676955,994.424592703195,2440.85615797233,2200.89924513432]
["CSS0025095",340.739254822313,359.912263397735,333.417556734533,840.946375851901,750.744402877306,1005.87736566211,708.406452246313,697.72778540817,762.103380927187,1869.90840839408,3617.63662238208,1887.4089409325,2281.40038717731,2614.11288059779,2940.07325088601,3713.31500220185,2343.83505358995,2251.62734171085]
["novel.9233",2745.469295421,3003.94656347083,2026.47604983638,2636.87997451328,3218.27497385517,2144.66316959467,2527.93039681947,2715.13675115916,2191.47737306386,3040.68272002389,1899.07650624316,2449.597093643,2727.93774136776,2342.95398104466,2228.22036846156,1188.79522199084,2600.43444742179,2449.83589215553]
["CSS0026940",4003.92897161752,4118.96619776602,4339.4368410948,1474.71189383579,3657.67570719728,2018.94491721745,5715.47355777312,2285.94618074725,2622.26934269277,1637.23539766826,2099.69051341641,1817.99090927659,1840.17125006479,2046.71903654673,2305.42726725183,1014.83231141346,942.680896698461,1026.05223240508]
["CSS0041318",709.992574672496,738.051607763491,782.849296382716,992.919946468942,912.65822426135,990.894088119977,871.362872276268,1090.98302442758,1029.66869040174,1934.7904493867,3126.03134086667,2095.67841429817,2067.81498194555,2139.42691083678,2509.35785175557,2036.38581288003,1999.54663618132,1835.21792336327]
["CSS0041670",1468.39530396445,1458.03110164411,1547.52441781112,2692.55999009121,1150.83511647924,2250.66076960321,1247.7290819196,1435.29346532106,1441.16852500411,1599.58685790151,1304.23641444906,1375.51003304366,1476.27498113174,1482.2849697874,1321.95876138345,944.310777671661,1489.46086517748,1404.5013114405]
["CSS0042726",543.836265800498,516.38459269467,580.577029557332,1005.74174329834,1011.53417369358,876.977126234092,913.449917438586,1004.42253960199,1115.11182759921,2265.72119907658,1464.64960773862,1773.26331996869,1489.55001140419,1606.97224014929,1541.54809182228,904.309021415339,1795.02357383861,1666.29029990228]
["CSS0034761",393.436316715938,376.016552445408,426.983452285392,2012.93708067575,1254.78001384562,1463.89102841323,1412.00599680544,1507.94720925862,1443.10859019719,1284.08982703494,689.270256761209,1231.53556921591,1452.3096519236,1288.34097405607,1128.63518276302,411.24102817547,1337.97395830575,1136.80983667265]
["CSS0042146",993.726114730795,966.643863110017,879.421207395513,1835.49019940477,1194.12282769051,1208.02705416079,794.202423736901,1110.30705508266,1147.13212996601,1430.27922243241,772.456187793902,1195.93748844185,1667.11633853511,1685.10072552755,1650.5310331557,630.727850356992,1081.17860678206,999.100121189293]
["CSS0017813",630.177340023017,661.910205340454,625.044792883521,1155.55447392081,1345.35392329574,864.305943913193,1006.16681087753,1152.2413767892,1171.34510408646,2150.14267797538,2856.04739204674,1831.59686213083,1789.28352136359,1878.91424937016,1830.67918381041,2015.05563767033,2179.73389699233,1910.93538869339]
["novel.8712",445.226485202254,454.219260977074,608.111110639378,1566.61239001699,1136.22739444686,1204.39588352033,1492.39893177987,1498.49165959035,1460.68076030357,2102.17079317342,775.083098718027,2056.91658767175,2129.03646989389,1834.66946726381,1603.0509771306,537.322394087784,1952.70995250272,1728.32026678251]
["CSS0025629",619.11728007374,601.855159378749,607.053037114107,1088.2856844947,1040.60772692759,921.68831068396,832.185197127883,941.260250103596,867.600013693092,2360.24279139429,2098.50474166119,2162.63293110813,1506.37629274876,1344.5328606024,1336.4882663713,1331.37216037233,1854.18979601952,1792.34660001639]
["novel.10518",1194.75565572623,1255.88094087826,1101.86986314154,2501.63505936798,1687.5542993597,1839.04370434358,1501.02216106974,924.45922336075,928.192294737297,1121.98537419668,932.631298534864,1054.04006068173,1523.55786575694,1470.70186031847,1488.17389878121,802.998890453755,1235.79031943154,1135.72611075468]
["CSS0023968",558.230036269828,577.072376192118,584.029766935103,965.992552481997,1785.68991101451,981.810709517404,875.191500122359,800.957499465219,891.499255963224,1161.89624760509,1514.37136478551,1244.44999059599,841.509760386542,874.59589718876,895.817537799411,1273.01978347483,989.181186907392,1003.74712217318]
["CSS0034452",224.962637626908,198.027735845455,215.863856433171,479.046464693457,370.358924861299,556.318436840992,342.692203462231,426.579503947159,414.930323702915,1047.35460452143,869.174607979267,1020.81410417513,1275.50031135963,1355.25691748673,1432.8897121104,1175.45934590249,1460.55767554594,1407.0686111272]
["CSS0049176",645.525543800884,558.659063860218,518.007817362631,723.72188049817,163.43558771889,539.993587809862,969.904843470775,1318.19668378113,1516.08394978243,644.525910474725,386.609681835403,428.694917731872,391.688956359267,318.3122477647,332.172185441105,287.776860408347,561.173795820437,513.881914845995]
["CSS0006318",484.744028261592,471.207871494885,504.475911865318,736.686879614733,1219.1536833823,793.283784353114,1085.53844382331,989.244232137135,1027.22896014755,1416.23462648715,1929.04529247569,1337.90541923649,1033.6974912285,1116.45878786092,1102.82149250399,1328.69180226976,1271.22777900059,1239.81315311984]
["CSS0016237",1938.30082342836,2258.81639692527,2280.49394112795,1699.66503616769,545.590347718284,1351.67988831322,594.815818516677,923.539769266614,995.930625413312,2289.57450543185,1136.581537926,1580.81070352725,1348.11960834511,1105.18193808154,1065.83944719798,272.822164010722,885.404091420902,735.28134898777]
["CSS0015210",172.656582712279,182.773176716161,182.0389131713,773.165165307871,814.456858666461,941.242675499086,915.630616704649,713.297482210283,769.814529122067,1033.68063441254,1543.50767041071,1064.13010139224,854.560078200882,1018.80426283278,1058.94891888815,2285.85317207274,1413.01267810391,1431.59865938898]
["CSS0003418",609.905905146454,577.548156688087,644.785445545138,891.039613624913,535.866061521168,924.042964946943,468.473050668747,916.343087106802,774.81583707219,1548.84924132423,1727.19598344523,1435.15605903309,1177.8755086628,1251.93102192826,1258.85700410872,1461.08284311649,1452.4894484498,1225.42749369486]
["CSS0009419",489.866985781513,490.946829127635,485.911699029183,728.148658391301,713.287379809956,702.486174377836,742.812047910418,903.563912629859,849.880855339108,1331.05999543623,1273.30525517014,1248.86781770794,1247.22414082462,1227.65865862609,1211.75746682657,837.81587935662,949.845023795025,917.971834042492]
["CSS0043232",334.384410756397,362.594421034216,346.744878579427,882.255775582722,649.072168218033,725.350351216687,581.054739594968,638.389773147091,652.23616315971,969.482693081892,670.019252117132,816.776331309964,862.290793270486,847.616091889545,799.078749010367,793.890446986087,1591.83152363141,1498.36519935551]
["CSS0034454",198.24604397109,155.211039247523,158.093275918421,497.706281661959,776.532329364777,486.708695855603,434.938596798929,435.31867785161,518.030410299231,671.615967158507,754.477779209979,523.917801835448,257.790279654702,265.113147632931,252.215266380591,275.63336694218,338.9751058588,372.261629220855]
["CSS0042658",343.250333248095,297.978193001136,338.793837718093,1001.77507986818,376.523445552827,856.290399712094,551.538990416786,636.149282141463,632.71575425225,580.996468299901,519.011922193272,519.401120544029,599.701037528897,514.951365573684,486.129208630107,645.159216712141,669.193576936884,657.418393933164]
["CSS0005600",212.924809423469,189.442268705555,216.905550111257,639.823507615154,460.012600046371,525.196876424351,333.592225486337,292.867451722047,312.989379166011,345.785613687843,385.445021638646,356.52860952751,284.35008749037,301.816763930336,315.889324506164,261.978128469602,338.880517437703,388.325185162164]
["CSS0031905",507.59051945175,473.938508959775,531.827109511683,1172.15953447345,707.953193887957,1328.56484136324,353.413825978205,410.092797610475,407.926738816701,417.78133809165,363.903354189952,396.829481142814,498.745710612001,497.056096356122,519.851893414814,362.761927072512,392.87048646692,377.12745392413]
["CSS0010476",428.911841045311,420.881639811032,431.213427427103,570.746888870517,422.478894436874,588.722184334996,430.324092051706,597.292167499639,561.723877654059,1031.58077956332,792.418999232423,977.423052535725,995.353611816279,967.633120854029,961.065174629468,732.751093910198,1152.62022294294,1102.2266555007]
["CSS0035701",393.521736907856,368.958946839123,411.849757741803,559.161606036231,717.194724261971,670.631725592828,580.840514438684,454.212724519502,551.331294309502,586.679760985247,829.222326899633,528.433863386154,685.583137981391,730.571077170622,768.549967581749,1031.4552343722,750.739536302308,799.81696011286]
["CSS0015608",526.688742865078,498.557651093145,582.081336877481,792.437578502834,876.425941766267,881.062808930872,846.665492485796,620.440544497737,671.801716066521,464.219024983959,704.170294758741,459.186453767613,361.918623620211,354.358022368538,359.389478271251,410.187319595532,268.825503854772,299.124027180802]
["CSS0043340",565.223519592465,547.302320467227,559.626748280268,606.265297454912,418.382144660381,533.584593284681,666.216547229313,707.723239193585,709.388535059207,1042.25067038286,1297.41965324544,970.317460448647,970.882010404567,981.425222340539,964.964306685578,1323.53343171206,1256.9859511416,1228.17956792109]
["CSS0035443",582.099353219887,562.101032932658,541.136542125846,851.038058393261,783.692046988652,864.001318402893,814.157682077955,822.788257713907,923.929464443429,1028.74852284914,365.403434919496,753.679041230719,833.967479817458,971.608313522659,880.817935210736,482.547185562998,906.631297828921,813.707893179871]
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