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["Propionic acid",1,null,null,646.694,73.0294167970782,"MS2",1539868.68058621,1697895.73274666,1609230.35447887,4095453.40176166,3669341.6593508,1730389.23811835,1850417.88324019,2169660.42134081,1894899.41321,1724750.26365644,4808193.00671386,2583018.29849913,1747158.17514205,2131039.43414308,1994999.20709193,2572136.61392579,2127701.07998337,2149107.25726925,1407090.98409689,2271532.42805816,3146678.08955555,1540738.57189918,2794610.24286839,1647613.50897192,2159555.14127163,1845760.94084007,1862048.88915514,2245560.31074634,1616376.70313209,2098468.05405332,1958090.94082527,2052230.00554544,1884353.58213205,1504563.25454517,3011101.77531039,1825319.23300646,2295421.97137051,1479944.00776519,2562820.54190722,2447285.73053465,1786499.18233594,2400469.45867373,3542668.18983119,1792567.190314,2460684.91017056,2872171.38322845,1637814.54218872]
["Isobutylamine",0.999986538461539,null,null,394.295,74.0959980037365,"MS2",99152582.5631103,85187426.5805413,97170077.0401001,79949039.9627757,85556910.0090099,87976999.0586005,97081059.5359226,84076888.7132999,165462337.80878,68704605.7437098,73849901.8811866,90441864.2607218,77176533.8200633,135001752.252138,74884617.2923872,72083758.4175449,71062500.3171997,16890813.1953338,78452106.9587402,78959851.3118161,72831167.1885,76659575.0044161,77473491.7899848,183530349.951385,107472358.674192,244713510.514145,92458111.5766002,84455412.6255206,95900916.625,89448359.3234002,146021292.268387,146970688.6077,199597598.319146,106302100.141521,218755428.699086,156708676.913937,88329003.4469192,74898013.1537646,117677960.34176,163883410.18718,13239109.7324992,127783852.156297,111518859.843,120725414.0024,26622072.8563998,172760671.226189,76653723.3685994]
["Creatine",0.999912923076923,null,null,34.5932,132.076228771413,"MS2",28943860.7721297,38094458.0518971,77559448.1895737,80193618.5486589,63746535.6180742,52855411.1517135,104555500.830981,234725451.614519,291119388.409362,118801131.658782,66228803.2977428,146909282.132658,78764012.9560855,100260649.782904,124139908.906575,76674952.6961467,175709078.404633,214594242.296275,143603186.300392,222643303.517344,254532768.093988,119230885.12307,130886712.129931,1209610500.04659,1055960965.38972,546474803.568822,1050051378.46752,65059677.0289793,521082102.20442,1021255332.89847,845739849.946016,975907577.998232,405170585.827992,446443647.710264,1157433844.64576,975196713.180087,381202705.004766,685050580.745031,826964150.14852,1663648542.57281,621478270.822966,2023542695.47465,1140286978.16317,644251466.653003,762643084.678879,1012193397.92213,1880480569.72249]
["2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone",0.999868,null,null,44.8421,182.116881598627,"MS2",1926873.16567694,1039092.17880077,4459275.99656591,5634246.81218655,1001252.35727679,743528.251934684,1829668.14837038,17823136.4318634,1482327.00501335,5356443.08998428,8423453.6792785,3945598.21358674,18325550.1954086,9017995.76170152,7745795.5891458,9955187.02373445,8804871.51445312,902183.34089531,4613158.51509651,2412355.29957253,2266832.90651948,3102156.39015163,3668268.879103,19723116.3647143,39563511.7287135,58571216.444455,53429057.27286,2956504.4614514,10191279.6702225,14031722.4903979,60864537.8468294,67388796.9745714,101973109.226458,38534039.6554286,53151461.8705773,21915753.8675018,14124537.5371085,42079639.19104,76232057.1004018,42598599.966,20932867.7328114,39759595.8423552,23349963.5923813,12154414.110985,71308557.0772695,20561327.9838327,40018571.7773805]
["Glycolic acid",0.999785615384615,null,null,678.3945,75.0086644476009,"MS2",2172899.47895026,2995669.37394998,3661003.10723056,4388003.7162209,334196.483999972,10886354.913141,1984948.16761718,2419664.16852716,2801679.51100697,2828848.70443751,1876361.23687501,1680087.232114,2193143.29142047,3191690.19226107,3403444.50220402,2979828.16817241,3765268.75383335,1384450.68276441,3805516.09419326,3339421.24660546,398310.309208344,6372519.14119921,1208375.15708523,1538226.00391249,4899928.73061125,3115303.21248047,4990122.47790934,2889157.99418749,3828158.98719903,389290.652666665,2357569.44399713,385223.332197915,1078162.42400004,483651.502499971,4268576.19668595,1172069.85741478,2638182.15264423,491534.485078096,9645860.31316162,683286.844453133,2791945.05107145,3872413.44408308,3612751.05714374,3100088.34629164,4931677.61109375,1594067.98152916,6638456.94256342]
["Choline",0.999767153846154,null,null,437.42,104.106448573853,"MS2",701507.035986307,931161.585330473,993063.501890627,3080206.81350124,924287.178428173,685254.374604717,7705877.5863134,5136836.48374999,7968990.16712535,10908490.6740393,16269283.4311133,3883054.31607115,6093766.83349002,8944975.33275291,8504163.88684436,7019466.26098751,6668630.61429988,3615973.52303571,911975.955125778,3122846.20302244,4902447.36210821,2259366.74999729,10491193.5960798,1081302.55628645,6375436.63543587,3754068.22930426,2197354.26928493,1321849.65469596,1752432.71646055,1765578.42887078,1488620.33489584,5752858.95160714,13719150.9787646,2604511.52514594,3552633.67720567,1796157.89019643,1065685.29909951,2080123.47870938,1475532.34540549,1580670.11880395,2587003.69089949,3952879.95159751,2199090.63841072,2883782.84405313,3074592.35784742,1998450.04457736,1902608.17648691]
["2-Amino-p-cresol",0.999715307692308,null,null,522.684,124.07518860365,"MS2",52836697.9726084,11696556.1674075,10615002.2812393,35543508.0327272,49956186.8016563,24045225.7067,24352603.2902764,28827016.1907547,53625695.3760334,49900507.8429272,31530138.8519623,28200116.132873,27225091.8669043,55660633.2876918,52966638.983376,53730024.2157442,17657316.2601743,29239242.4809617,26468320.4035715,33006771.752132,21216371.5475456,28372579.9444287,26641693.5222216,30734649.5015153,32140320.6373046,55383763.8235583,50538876.1824141,26445334.1982453,30767104.7736788,25948410.4908541,9607197.24405893,12779051.4480729,14839819.6761963,50349360.4806865,23147957.3664001,18898256.0094585,25258788.9254937,24143114.4688294,52782001.8962484,37586602.2816816,59603798.5762315,55128483.2996855,53448863.1975619,34091725.0709756,54113341.5582757,13144809.5045887,20488783.8851419]
["Palmitoleic acid",0.999621,null,null,480.218,253.216844220569,"MS2",320611517.868554,253883491.190903,357259667.34607,798104642.015043,309066011.837605,403321475.455908,2549295135.14577,191877322.552464,2132376313.19562,890813404.347612,2527187804.97674,1401716067.45719,1015205002.69406,2395071182.18399,3344988557.09758,1725703627.14833,3250603216.49031,908680611.795785,576051117.96098,468135751.291897,2050472690.69125,1742379694.99736,533187919.41272,149398268.40111,122591801.766444,110687173.525965,101602303.654243,63795209.7861234,99316549.235803,52498123.1338459,170567498.850849,111536689.512857,137830427.561372,122307250.293462,150068784.639385,110266994.289214,49923900.1291537,66126870.0501831,116604785.932052,152056460.166345,101157980.025955,107325019.390462,137587900.17375,76291635.7170542,115841201.46579,90754578.6417971,90012839.2086582]
["Prolyl-Valine",0.999597384615385,null,null,28.2409,215.135760749424,"MS2",2912961.17366791,2149666.8851783,436333.094431747,661800.749579062,302030.38799086,3009874.72824604,676286.923913802,608704.540220613,1900591.3764976,601426.002639844,1417570.7376138,403511.600676385,3196472.48260632,1250745.55289423,386718.655911198,1173583.2340425,633430.491975,3572597.91175833,509161.189420898,583615.51934625,320087.454884375,523989.122206407,2673047.13881369,306913.640106945,2719952.88471951,1280348.53852338,1926409.43299997,602050.691238494,1414383.66393557,1579009.95081748,424836.579868403,432964.083488932,1264512.10102332,384658.746482552,335259.446775586,1453049.31569139,889281.796302778,1819911.17869005,2531113.4570083,217008.813272217,337295.84198625,1331378.0442917,450335.827676562,635262.548203646,1371386.03055517,544087.806364205,606096.863608323]
["1-AMINOCYCLOBUTANE CARBOXYLIC ACID",0.999555461538461,null,null,58.9178,116.070086410719,"MS2",4849900.77597314,4777186.39418657,4558989.90260833,10019928.4289159,4673735.83640653,4798215.10657007,5142696.90881974,4582958.63845628,6597987.31448169,11748005.8861658,25384410.7751619,5054355.28332905,4529340.63496685,5394939.08746795,5298130.81478571,4554716.52343211,4560920.54144173,5175620.17366001,6173998.36771613,5601514.54620121,5514152.09861944,4662338.10196641,4900241.04080465,6009570.70161123,8969761.03155223,5698358.28321198,6306555.19881817,4471707.6040148,5383442.7824648,6104154.58978836,6826764.49982031,6661912.89090474,4688852.50073843,9996647.8500309,9085807.33180354,5665670.11862422,4964298.44286717,5844227.51949991,5960731.45429235,6637558.53234879,5501695.9631084,6741387.73065496,5784238.35321251,5917192.42309072,5684010.89176178,5911538.82325977,6616929.13634296]
["Eicosapentaenoyl",0.999549461538461,null,null,392.957,766.569294226484,"MS2",4377458.02024412,7034091.39033039,4702503.70095153,5906109.88454574,3297920.31437192,811384.501765703,11045935.1419095,4586409.80701509,7240316.35744228,7295458.03660037,6193770.85727872,4552817.43538597,189826.489573592,6542153.68892352,7014342.49844552,5387042.46412706,0,0,37724.7269078305,7721762.8242857,2721216.50769252,6873718.48704558,3909237.71354339,0,15644.2251130311,4338125.16538306,5042881.63421671,4724796.81721093,5067229.24598459,6678792.0816798,3899826.7417207,2781409.0607773,5837557.44791985,6347534.18263184,4558221.56966521,3340769.90192413,4730131.98213978,6201305.08730788,26099.6753096847,4513304.48170978,10474.2798739213,3839377.42293637,3550831.9617097,4501721.2480156,3131732.03606853,5221301.84803772,4556499.54478199]
["2-Hexyldecanoic acid",0.999536846153846,null,null,514.1615,255.232445847185,"MS2",70808191.0154802,85368763.4217226,75654302.1043746,90521626.2494998,84194478.8179457,73615403.7537498,276439506.542999,101214632.279538,220520301.694584,140002012.244606,244216221.109715,203739221.797386,153639902.733988,205136075.691,277366403.771537,178730810.053715,310430339.91622,185963852.192851,148840270.956,104150042.568431,230343066.091976,183908801.018016,114281223.698572,76860337.1704998,71955160.7342471,65093791.152914,70981895.4649998,78196932.0913036,62723756.624,64221219.3405506,84090755.2685717,65276591.2694998,67776567.6532879,81163556.3867141,92981400.0509883,61153017.462643,87679689.7570592,64879831.4334435,87964645.2502228,70217154.4770004,81879141.0641179,67854540.6246768,98441786.7999995,74618183.4349524,74417324.29425,105116816.671429,77990374.4873655]
["3-Aminopropionitrile",0.999535076923077,null,null,528.9415,71.0600288744302,"MS2",5595908.57556066,5522239.62450372,4571925.51144147,5305735.9521953,5458658.69426026,6143893.48140478,5510055.98011217,4053711.99006175,5533304.00438499,5428070.26310222,5261448.41364972,8147713.34124058,5920551.93199411,5555572.23106142,2510711.91871809,4677023.68478457,5741823.87538186,9304666.09592707,5124255.12694493,5520939.13002507,4894620.61157765,4276773.8288056,5141174.63218257,6143305.58485678,6220369.00859583,9692295.52712032,5684754.82972655,5133763.28338194,5683534.55858722,5767095.54672728,5477501.55524697,4317012.23925523,5340883.68594117,5630191.99422738,4386215.89671875,5411262.98541316,5525249.98783236,5504155.78863549,6410130.27959614,6214830.58596503,4962340.58147712,6460203.42606685,4668053.70878189,5284731.18557593,5635478.38635428,7940810.16756493,7899030.81634355]
["1-Ethyl-1H-pyrrole-2-carboxaldehyde",0.999494615384615,null,null,580.085,124.075205949173,"MS2",14687545.6235714,21956294.7915938,11507474.1623889,26504236.093389,17484669.92408,41955579.7870779,22172558.5854437,24101284.1070116,27698711.879465,16611843.0097701,26101262.4607008,31167193.628914,26304842.8211408,27719498.0134168,27830265.6876927,29801875.1778954,29803566.382174,26401667.5790973,23437890.8659502,36840503.1747026,27225901.6929531,27996610.3881953,21079453.6753623,33952602.8283809,50572731.1967465,27041980.447731,34905953.5610196,23661275.4707656,3458943.11033332,4399606.47034996,32659249.9258721,28852346.8341739,54008118.5153125,24693949.5461383,3526875.41750016,57388307.5596035,29114400.5496597,21434735.429283,65170464.6681141,27103634.4049936,27260223.9712213,32788653.9902054,45590844.7943183,18592784.7622001,60403197.2695063,28114981.2592377,24808080.3772737]
["Taurine",0.999473384615384,null,null,31.3549,126.021409267146,"MS2",19571363.2249349,26208150.2142978,118747646.2771,92680425.1796083,86807864.9044962,28463861.7142107,73970687.3455985,418514012.230908,151486088.645355,139935968.345349,130170281.647829,234476457.768038,97733205.4153171,171959939.7385,86310012.9020898,101759351.022324,226111288.091395,73397608.4641474,121804091.783487,153363379.127493,142800223.854068,109084879.864428,63774606.4916807,407736242.531312,600304238.082712,741348414.715831,586893164.907346,318082140.768701,459606333.435958,893349217.37377,512069793.912084,739866943.627375,746894845.768798,605993635.598565,1006587768.49832,629736729.630747,272071680.953209,624148360.734308,618627119.766469,677287148.569167,730527673.29543,780937516.281178,643446601.303612,568854171.647183,671272301.007328,681147343.198083,819827916.814579]
["2,4-Dimethyloxazole",0.999461076923077,null,null,492.883,98.0595141465882,"MS2",9833678.45329448,9520937.63913959,8451717.62704549,8800199.76647126,8204559.10398478,8947377.04058005,4159780.39348417,7851220.30332682,8615229.13603934,8995513.33022981,7836248.53005738,8212576.52355587,9188790.27063905,8562617.24695925,7805057.95925702,4328296.55347397,8490715.26734657,9038028.0172134,5860603.89059686,8979142.02375913,8888923.72182691,8149788.49277229,8778329.32870108,9686841.04539372,9444993.72227535,9598463.44209179,4691007.61950558,8583045.16365915,8075577.93943359,8524671.60999575,9002881.55250098,5600556.71799519,8872798.9475264,3916803.61150677,8794523.61361485,9819026.06163776,8377650.75444661,4777506.60283929,8647787.12332835,10148809.6982561,9138479.58978126,7639563.20913557,9132258.33117564,5087867.41813704,8989962.35989377,9228737.8446032,9086429.04298539]
["4-Aminomethylcyclohexanecarboxylic acid",0.999458923076923,null,null,44.2546,158.116969409669,"MS2",11154533.4143203,25413761.7678836,14658224.2047397,30897260.9772699,12459663.4205157,7608468.71555098,10153600.1267647,70487925.0010508,10792683.2236733,32644215.7161459,15716246.1943125,33687626.2398294,16710134.0820557,30803164.246825,33309530.2374222,18325039.9752598,16935045.4062439,6638279.18449761,13178519.7003314,10570614.3218951,11235825.911003,8992200.49646515,12920114.8586174,89084564.8668876,75728120.122307,105663338.852587,46862864.1710985,10409330.7041902,37639136.8511529,49177319.211536,28635646.43745,46341018.9913943,138621734.037518,27225241.4872182,54680362.2092803,32956023.8210667,46029588.2604722,79821558.3735346,81901447.0795367,28477858.4533144,25068112.5864967,36018861.461994,30525442.911875,34511021.0494958,41517558.3094165,56323828.2032126,44813374.988863]
["NORETHINDRONE ACETATE",0.999452538461538,null,null,373.0975,339.19925308966,"MS2",138762694.44186,442293018.495975,181654828.285437,203098539.000698,205555955.125151,103767736.365284,350338566.908572,167898208.901341,224678251.003605,195410621.192327,149776858.368314,152647552.139535,134792900.845326,232383889.95082,153261108.049779,142204647.733326,178548147.412697,183228228.292,174051382.815837,190361787.576663,317004789.495442,234235335.835694,180035682.013607,117734457.70575,156166751.124841,144330389.139324,124203641.094,164883691.780631,152542756.181196,150085999.191407,199533311.223409,373908031.045713,150569828.805464,162659735.191705,303457550.778558,113207050.968227,212406593.964648,154256161.241279,209737019.354704,118746645.447758,177837935.819143,131469698.478857,163256932.529329,197617213.049419,131491105.719849,151734370.142364,203767564.555233]
["4-Hydroxybenzylamine",0.999365615384615,null,null,558.222,124.075198442679,"MS2",51263213.3969538,43394187.1282831,29963143.8355867,31847107.2717556,22081758.875591,7798674.52304181,21609248.3998947,30182129.314,40037152.18778,57712264.1714392,4260001.94410033,61064555.4797657,20321480.7223213,6472488.66796878,36036070.7344718,60124107.0220963,69675067.3356206,3917846.43022497,9168994.90673943,33450544.2931251,19765569.0988507,22519318.2492,4130412.23220024,72350805.6818695,21206391.4775581,13735185.8068252,77148328.992584,5844665.40171451,62495984.4902885,10526539.3716251,57635933.6214842,54397674.3340859,18788740.2728126,21648104.8153502,2562145.8912497,36793205.6699538,37864640.9425508,23032837.0679844,40141283.7890839,2833268.24016674,2906583.30408341,63814717.3637814,28351935.3964307,2367211.91345833,4407232.42937505,52515746.0698766,33258394.9638418]
["Guanine",0.999360461538461,null,null,139.164,152.056111103344,"MS2",2789149.84257324,3836667.54930852,34999356.1194643,33673646.36465,6740795.79247973,3585371.48357142,26111638.8129438,57770232.9557733,23782260.6531526,31271238.5043712,86329740.3918372,17952189.8159137,28965422.46275,23321398.7492889,34844439.2985,10663927.494901,35153928.6822835,13738333.1231524,7014324.88049362,15043059.3432133,15006195.2402551,10393378.149,15168700.8545498,18159502.6621374,41968989.6078885,45908046.3882857,28402234.4022141,4783239.27608167,50872957.5317793,55239778.7480579,30925699.0042912,47840591.097,39569830.6185,29087662.0859384,167293531.014412,48939655.9735418,10179261.6605759,28530440.9220536,49081653.2303036,47472503.4083128,30977389.1115317,82234002.5735924,54024586.4381786,56027794.0818952,79129160.0440715,39696801.4128215,56011182.9698572]
["Pyruvic acid",0.999345692307692,null,null,134.56,87.0086435115897,"MS2",16678722.7386034,4577179.63817998,7364659.18327572,5679738.13521014,6664875.03599624,8540570.02834613,7515828.45536132,5968619.51552198,6419913.27630997,6405269.11954483,5570772.40565836,7988949.84538651,7568543.19738738,6453773.81129524,5204920.82831984,5299845.17909187,8283357.01394819,7702707.25981887,8230453.67274282,5789223.74170891,12070645.5823904,5921096.80603372,6412841.01364814,11997216.3930889,8102942.46467733,7578051.03359428,7372608.95702342,6495640.28936458,6441215.56062156,7027334.21962231,5969613.98894668,7835086.43592947,6259392.41260939,8705507.03569036,6246773.13579632,7125178.46519445,7159549.9915188,8741189.89731397,6273831.55923276,9307602.50832641,7945058.2702448,3461883.99946876,7253462.37721379,5266157.97856481,6802693.88376075,5808139.22916382,6534373.89404964]
["(+)-12-methyl myristic acid",0.999324538461538,null,null,490.161,241.217015625125,"MS2",29619942.5586964,35622082.2630265,63241053.7452281,53078606.0271249,33212822.3860547,52217188.6478063,808244264.605777,18075062.9051999,712170530.351294,478235809.371615,1065920427.48185,419610124.912625,182762263.081576,645335761.14416,1017710663.05304,303782735.516882,1113781541.45293,339040301.508975,161199135.9225,156321194.960597,507912073.112605,409090883.825455,175443932.191231,65781270.2313575,36709107.262117,69421273.2473577,74498041.033286,54247317.5624462,33916729.0132939,60372206.7279516,45602968.6036749,70555735.7169008,92280330.8333588,42814894.0519609,137915616.089536,71275910.2928684,39836549.922419,43505198.4027611,71916545.6936313,42173609.4223486,40143605.5522147,65978119.7395064,63943974.4678669,33063395.2050438,50355806.9158752,48140629.5163941,38841292.8387172]
["Morpholine",0.999313,null,null,633.258,88.0751912728138,"MS2",589143610.010814,2503864955.02544,730546178.854878,922891829.62656,1387185879.99085,635110218.554163,2506523544.25677,1001312321.78837,1622798689.88455,699331667.605668,1770001227.33173,392051013.253715,754339453.870087,1850954733.21899,953967505.993225,52699219.4899969,1632147413.09344,1164314195.86806,1931455418.31194,866878587.405421,2019512950.77392,2439346175.2237,881591926.970446,743584097.761216,1120968281.13581,703457903.454598,3264637361.69792,1509601091.2632,2859099688.18922,2795375084.3767,129725063.703199,93095837.1200129,657374780.6635,560043453.434739,2292919403.925,2361023990.77083,2305933821.77652,2247978004.44556,2720357552.36507,702013649.235979,1743249043.09933,994319833.809678,122930629.718399,847435363.338202,613427644.016604,776837554.544531,2631979002.45665]
["N-Methylaniline",0.999278846153846,null,null,636.826,108.080256528347,"MS2",11790783.3634871,14423903.0373282,897290.313593697,18149383.6569031,36545034.2833105,22762798.5074269,25878781.908086,15720899.8832539,10296613.2687557,14152623.7341183,32552438.9087607,36686270.937798,6960668.57481251,29341760.1421343,18211116.928618,12379092.003016,16566413.8203021,5667823.80178312,30047039.0834485,30562122.492653,22996088.1504299,12216337.4115333,14704727.1270254,31235843.4320449,21767790.054568,11014257.6680272,10522198.250448,23009781.9063729,54101015.4851546,28428125.7087401,17436401.979251,23271437.0121052,32798502.9545395,12822125.4554339,13209434.6135,11299783.5834285,39055796.6948036,10397433.3093438,21905330.9939216,25370863.9350038,1041828.92296869,28243013.3379111,19760513.9661818,13615124.6312402,12285885.0315165,15730820.4756878,31795000.4008586]
["Pinolenic Acid",0.999249692307692,null,null,465.6635,277.216776542411,"MS2",26944042.0055616,25338323.325263,56876814.8516533,123514101.85575,30796801.9504554,32420114.5830759,2853476086.24423,140246843.247456,2899329969.7649,640585009.840776,2557603572.36428,1574925864.33278,666378788.472662,2331964090.10738,3748366515.53661,1773280815.65057,3428547764.41542,965866501.017324,580834591.384823,354568275.410282,1854302009.56216,1563843990.81021,476851181.167974,56497556.7840939,96046711.4483033,56346891.2784526,49678024.9377055,25526207.8680327,58746378.9384084,29290589.1793241,136011830.342158,99796740.4844199,101894475.837902,77590322.101848,149753206.990446,108334688.019187,21915733.2111813,45303413.7450957,75277303.5355716,98881638.3079466,84565378.1229333,73681287.9020031,110095839.047319,55542802.0770178,87541855.0235355,63973710.7419831,60971628.5021653]
["17-Octadecynoic Acid",0.999238,null,null,492.327,279.232426295316,"MS2",54666327.6600761,51382642.7986385,81435329.5914063,146184513.277621,52493851.1825318,58393772.0926094,918141434.854259,150728743.999144,799787671.316831,409432334.79601,1140123547.08992,502786895.063625,330249967.807333,860198507.927228,1203778334.09062,582228750.284728,1169446861.36082,417040075.895638,210704660.077724,183494331.396595,577791614.995562,454312657.661864,203498292.859559,55448087.6669156,70438423.7727509,68582834.2883548,75734660.0143889,52008977.315194,48193194.1192969,44182922.7185783,67681046.985811,83149796.6198312,100829339.670777,66202228.8283916,66537457.9922276,58068408.2125734,40619648.4762811,46905263.3251259,64429673.6949016,84631291.361219,71387371.5813251,75538543.4142881,104257892.391459,59062931.4925505,66991956.9743955,179001874.567718,48309484.8413359]
["2-Aminopropiophenone",0.999167846153846,null,null,578.612,150.090764840085,"MS2",10543928.6713423,11946483.1957499,10541866.1719998,11745983.4821121,12587868.1557263,19374233.0964465,12109772.8879825,13076125.7442795,13148553.0787522,20487757.0114286,10498753.4721007,15417197.9494239,10464095.3765528,12349867.808362,2633402.24531253,11376727.3250042,12287445.598853,11173472.5521749,8495997.78634487,12737400.3623105,13681628.5822674,12994504.2894223,14548166.0128365,12456156.2451148,21971050.4706562,10853405.8373583,6409945.4881986,16425057.8802384,10142673.5034349,7923962.6209659,12104267.5399917,13356030.5997536,13127918.0465322,1394771.73375004,24415975.9266667,12312360.5488175,12461182.5651837,10633907.872981,2735351.80842867,13220873.1809149,12332835.6056472,13430492.1578293,10564053.9129434,12475881.8153483,12268731.3284857,12138618.7933409,14203316.3140286]
["beta-Alaninebetaine",0.999166307692308,null,null,30.8751,132.101356399055,"MS2",45786175.4298738,103467439.090979,155991200.208633,128146700.73531,28524515.4203459,36255899.4475059,48315261.7786016,92190574.6682142,112346174.750159,112492364.522297,304335782.568468,143885069.266821,129637912.39425,172363351.878386,187055383.426429,158280128.385657,227110960.792806,117963277.926115,121413542.684159,61705936.5552603,112453774.696047,67865797.7249514,118149281.719868,319950806.359742,508196449.585105,131771019.27986,139941864.912856,61318694.5187143,152074468.170088,874258376.283938,217329953.771832,141175598.064382,347170497.725687,474636892.235127,707053584.241707,272331929.555568,171166635.628369,355889182.572738,337322615.229305,258561947.21045,292866203.279,351758261.501893,242270270.451093,172957051.827088,203806717.290108,108057246.918627,195836276.720718]
["5-AMINOPENTANOATE",0.999158153846154,null,null,32.6807,118.085661173592,"MS2",1104820317.4451,1082310871.68664,1924277155.49486,1916365800.36243,1704167863.25149,1130705327.29221,1418350771.64152,3744606822.22709,3024008099.71499,2069967905.64312,2542253365.59466,2318871993.90968,2263117829.2374,2303866209.4224,1912487391.74895,1727946721.51629,3257259300.41348,2390516827.47272,2443722895.01225,2434390239.94706,3411776274.20497,2162896016.12217,2272638460.29102,6878135396.6928,8263360856.80293,7668036189.5129,8469866270.52847,4124093100.35561,5904611053.58341,8535086688.46686,8147294321.87441,9134051549.27769,6493727388.33167,12065061360.0664,11219053423.3746,6297404458.65975,3643504992.35513,6145638732.98358,7513593426.12112,9103055825.94742,7386580506.68594,10135865314.7616,7885943549.49453,5507529243.22908,7641326543.9544,7479472253.14894,12441331922.6551]
["Dibutyl phthalate",0.999112384615385,null,null,151.457,279.157760970204,"MS2",18621886.4625568,28668800.1485983,2089457.07874999,15949872.1440781,25375937.9737124,14386601.0214605,932243.995058094,68100383.6617468,1399191.81497055,396199.595090333,25304235.1594226,16354947.8811958,1874396.87199911,25613609.8757154,26426781.3062097,38150591.5210988,10031017.6239952,8660992.41878127,534871.804976129,26956612.6422661,778029.185372396,25033036.5749381,22512990.2451082,10813427.8633303,11283569.6506748,18462364.2514882,20473331.671314,28367749.6889523,30354527.7536111,19898975.4356956,28496098.9897788,26648650.4425454,39092168.8752222,20567683.6049767,49259716.6062857,27497271.6715555,24127096.3589346,19156488.4251592,10709871.5330636,18364010.6964298,10387704.3734518,27624072.1235667,24236111.3424361,26235743.8937992,26738784.2303101,28163594.4630887,27859449.6190722]
["2-Methylpyridine",0.999109846153846,null,null,36.6121,94.0646350020417,"MS2",3746123.97951947,6263132.77677915,15089170.2832029,19432377.4478128,13072664.4397805,4761180.63301605,9735510.27964451,25098138.1304575,7621089.01572813,15726689.9726245,29625731.5547505,19330196.4722351,17252468.4678149,24233834.1678683,18399870.8152221,16133961.2468631,34371766.4429717,2897899.03906364,17262034.5597912,20011734.5484431,17133593.0255955,19553549.2407267,15847726.9319456,74063901.3614522,101149052.541392,61574664.5916525,76938317.1159901,43367269.6471348,65844528.2449106,83658109.7112597,95509044.4986798,85272417.0034475,53747642.8853468,142058705.606586,122853412.13787,66032233.4063336,27877612.319423,71500475.5721008,71344125.3777831,77348782.1972678,72499713.2025459,110788614.525133,79794433.228054,57162189.2203373,98289272.6814377,78620916.0107597,135524325.832071]
["3beta,6beta-Dihydroxynortropane",0.999104076923077,null,null,36.63795,144.101327413386,"MS2",51373991.1781093,58344387.3265118,169778754.350175,134207924.569301,69550987.1597192,37191160.838309,77314323.7497091,316437142.269943,167621701.313586,117383005.777199,317754548.864377,153410766.394913,208092849.389207,253474072.151548,180747977.590607,119396582.053536,232429174.923324,128045710.366915,142699108.573894,89178025.1875004,188950411.481137,106535927.182986,144508581.504548,496587997.569857,607759924.655509,565178169.67136,423763100.569237,162059932.504119,589024678.318506,964264876.076021,337888420.281437,624368381.865548,461629675.662113,637777786.941833,1388885149.88682,454376873.174095,266377340.245349,651959129.951376,616206816.610188,483154954.051884,570822408.015415,631669878.766973,487465696.655318,215309279.150788,476057017.263303,341260208.251658,647422278.524357]
["Pyruvate",0.999046538461538,null,null,645.245,87.0086751763527,"MS2",13394210.2425825,13263900.0573259,10976555.2189344,9576042.82767957,11444604.0646639,14187565.3205208,13495487.7408649,8988657.7008055,11571687.4331973,17634726.2868085,9806362.80670161,15825511.3267494,14767142.7436304,13059726.1959863,9085858.79241795,9600251.65302899,18261757.1099236,15137940.9016226,12902758.3814302,10243932.215501,16124158.1582062,11657523.8384792,9931375.2466656,14431654.1036242,12502592.0059894,15008383.5915727,10499328.6103451,10298936.9163399,10192991.8001786,14151070.0314072,10411100.323551,13654088.2787744,12809030.7453855,10486148.44985,10818019.9127675,10685995.965707,15247562.6630146,12089487.6448995,14553296.3411796,11055854.648557,16929915.6644081,10163935.0146838,14637340.0257344,14505835.3923424,11290916.8730976,9872495.22788366,10697525.6000107]
["Aniline",0.999046307692308,null,null,611.529,94.0646388984562,"MS2",5059753.5725579,8906661.54262667,6431935.81171922,9931073.00851005,8327001.21123101,4447777.92929066,5026485.62386877,9614999.6808185,6656412.1515274,6097386.98804626,8952111.7626713,4961574.25563846,5293115.09413012,6585128.8567166,9887351.81707012,8936176.1775856,3775980.13701916,4262006.55823161,4090276.17261617,8180145.98064221,785810.57356873,8893065.22481413,7422259.50495605,5659004.86605117,9833632.32579199,7105332.94180321,7544531.61632639,9104763.11307144,8634011.5349461,10034463.8097537,11118083.534584,10316534.6084457,9547325.74840518,10407580.1484642,12402220.4625645,11765462.3256235,10805893.5806686,10419842.4593181,5651197.88674167,6999708.94319643,5281289.25925087,10995309.1776948,8292417.57261287,8001888.59533691,16645820.6648039,12146998.3714972,15159193.6789799]
["4,5-Dimethyloxazole",0.999013230769231,null,null,632.02,98.0595459611455,"MS2",10847652.0120573,44615131.4534172,12579013.6791427,2648281.13374998,22656599.4236624,33657408.6889762,16796694.9673535,15488965.5163352,48123563.4790836,13239312.3486488,18946564.323472,11278221.7611607,23633902.7374584,10874066.0271562,12937633.5635875,31295386.7254954,37703727.8950483,37700367.2460614,41683718.6368438,18022560.6010805,13845707.4214853,1515524.46000023,31318648.612578,15865794.5253788,16065391.3317377,12030771.2074676,16940608.8856875,42865553.1382695,31260983.3644175,1890213.11508338,1430315.64531241,22888438.8233317,1002881.57499994,10180612.0187944,6992885.19664453,12297779.4009415,41745794.473789,14152752.4185521,16572243.8021511,24688634.4078668,44034365.8945898,13731011.8715909,2297700.71492518,28683549.4686663,18700493.2867306,15382184.3162813,44446983.0587296]
["PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",0.998988615384615,null,null,491.424,806.564338698908,"MS2",20352535.7031389,32837771.2248386,24494157.1191115,13400623.8087011,10398489.793125,20099249.5637207,37657352.9656251,25903953.4371429,24925200.1479034,21556243.6460227,36306713.4534759,23593941.9981923,25377327.654173,33214594.1707873,57501518.7513034,35803099.7873634,8834762.59864866,11287239.8474359,9130886.39059219,24126894.4628555,21698244.2187633,17296685.2315711,21967759.261625,13219372.4088214,14166162.8770353,32726018.7659444,17945660.5735908,17440836.3481624,20354127.8800325,12535321.450602,19981861.542384,30216412.1293329,16205668.1510667,27226388.7929322,24337862.1909952,11118397.8076681,3619878.64148608,22545179.0200314,9780121.35977572,32632810.4528721,13528331.5971728,6706970.31651918,16940341.7321848,15593007.05625,20789734.6204923,27178870.1687123,20790274.98725]
["PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))",0.998988230769231,null,null,491.6015,852.548369231588,"MS2",2744505.27116319,4589562.02810772,502195.333497248,2630235.8914817,5472327.26313804,10214901.906744,7967629.13980921,33214612.1681354,7136530.48482593,3099791.66143377,2033041.78969213,9091215.33914616,6265073.38526399,6498394.80143412,5695348.26455363,13408794.9909688,4449409.91361419,5818405.35032647,5496861.43785351,5289848.04245868,26210570.1839753,19205483.6003973,13568337.4333894,13265543.5373292,2697062.92709112,3292403.6101008,308860.295431313,2725022.4821907,3864192.29016199,2377991.35115424,3304930.96110695,1085108.02170836,3903739.6030496,9846788.32320236,16250850.9170455,4083773.908112,16835918.7996274,913043.366125024,6276917.5296284,7253917.13955309,13897840.7761819,2636177.44986416,4405835.5978967,4032431.76893582,12867769.3315311,14057447.6751429,942616.812985703]
["Palmityl Trifluoromethyl Ketone",0.998978307692308,null,null,481.903,307.227352258275,"MS2",3828243.29578139,5989832.98257834,5217437.90768458,8404358.10391126,5366849.84402137,4446293.66437173,58421556.2541884,27425494.864195,75749398.8169266,94535725.6012375,103273997.894313,22507336.0133053,27015433.9398124,67178836.400473,64694549.1492781,51215107.1380409,96140452.7409569,28784596.8607137,21477886.5070095,13231768.8942794,31109730.3681259,31883864.3738081,21150445.0173418,11416118.6872423,14446053.206801,33472341.7008261,16012489.785193,14332508.3048481,9242356.05159044,11930774.391177,8900768.61545189,23120994.0778373,25299209.1563767,15819910.0284623,13858286.9048216,8835797.78669426,8152802.7606796,9683021.13308885,18074279.1138999,10973837.4650602,13199974.2276831,13130098.4243783,17143824.7587112,10725491.4215544,14021930.2501298,26590989.4213832,10946905.2763815]
["Umbelliferone",0.998942846153846,null,null,345.075,163.038286244586,"MS2",17527404.9935278,2156348.29383324,31447922.8606136,25789055.0697935,15098993.5003317,2340802.88033339,16594289.5346634,21831323.7264584,57676334.1998457,12851831.9395761,22858867.3114286,16764861.3042857,15098894.831224,14647629.9522223,16540229.3736653,15172939.796393,9536133.84872922,8730363.85183929,9230095.79850268,22803632.5555057,24580428.6710757,16105337.5483276,14983218.5036951,9768965.01005057,12113688.8260956,19399060.3643071,18832030.5692401,21825806.6804211,15999955.3720746,16782266.6837444,16052097.8962918,25014402.579642,10503596.4705972,16328702.052,8290488.08402493,13597067.5324896,75035932.5857142,20356383.6854028,10475299.2414523,19558101.8390172,13042808.3366793,15801830.1971397,20273007.4080111,23954338.8016903,14185687.2825208,24017204.5857558,15933855.6755172]
["Nervonyl carnitine",0.998891384615385,null,null,556.005,102.127209543568,"MS2",31523292.8739651,76333225.1213045,13399487.7047273,78094984.8003273,58051702.567473,24132817.7975001,32476095.3913013,26767188.6968569,85912368.7252719,20249317.4342621,77188387.0011429,25396153.7819813,81444800.5514977,19378530.0388577,29699096.8530441,62964456.5159998,2045257.81020839,5877760.30416706,17419740.4568573,77395150.7945794,9115699.78366682,55073615.2024942,30500237.0840234,4706903.91599989,61446459.0271088,17411602.6607306,7674134.23126401,22207988.8234284,68014914.2164596,20904447.8680675,45125447.1280889,73537621.2596753,71389797.2402439,85735322.6932542,58077513.638028,35220732.7826471,74613932.742543,35401334.1101722,27217573.8676364,4334465.86000004,16370040.3302639,3054726.76268739,47749607.2561503,31796491.4354001,64097697.8455594,75815479.0388736,33456822.5890988]
["PC(P-18:1(11Z)/18:4(6Z,9Z,12Z,15Z))",0.998808076923077,null,null,470.592,764.553642528412,"MS2",19298460.2624121,4955631.77491248,10124972.81575,6099335.95287296,7591515.47017411,8177907.50773082,15518448.4570312,8577155.72442859,10589695.7745806,10160251.1877158,10054371.1297582,5308661.65204498,7909319.16274762,8951600.06980661,9230712.52960674,6713028.98145837,1018630.22995253,101716.862168663,75410.2610794783,11597643.5666842,8392679.93667329,11113645.4408571,5985363.37016089,6109487.01132044,6591592.77070122,14392142.3392987,7898557.40822273,982592.471101578,5674915.312986,6204987.02019049,9192952.35637502,10355624.0626599,6964773.25050001,8444708.8604014,8051037.78860624,5518451.27116071,6439736.55916913,6897452.35242311,5637568.17426309,1268761.3266667,3216174.43633715,6703430.02315003,7969385.53956731,8612728.63933778,6739447.71437706,8799667.2371591,8323059.6940407]
["ectoine",0.998792923076923,null,null,35.91025,143.080960540066,"MS2",23131678.0460988,17498943.25167,37476478.4212308,55032081.9980954,28351212.1212503,14845799.4483213,18341309.340164,101429073.182236,60227161.462702,28698995.5345799,34400025.9608198,46571474.023668,50806986.6275524,79074068.4755789,35580901.6784282,43219604.4791,59111440.9705161,42733157.9886382,35534980.1052292,40039855.7589915,106360643.096289,36559688.4622922,37890831.5634105,275388991.713468,265224793.805717,309073331.60263,267964309.673323,80452428.4911772,152654585.923466,228630334.926673,272834472.47309,295108678.421065,245178359.151145,329818198.20142,282918195.703144,171899991.954242,105884634.279786,282469310.629568,319598369.096299,244784115.570725,304773551.47656,245179546.332033,152275600.203061,133315371.040905,242283312.546182,222294817.269192,440013703.985554]
["2,3,4,5-Tetrahydro-6-(5-methyl-2-furanyl)pyridine",0.998731,null,null,578.698,164.106367163744,"MS2",11078986.7421789,12058663.2081163,9906090.84058321,14613393.93713,26387847.4548561,2677606.95741674,16265044.3566347,21867177.6651288,12654878.8878213,8108363.32254382,3687748.58647211,9845728.92572505,5357348.49438475,14208699.2837359,2556693.29124998,18483755.0357908,10224558.644078,15540399.6728938,13470405.6434394,11504108.1090194,12198405.7261916,10708520.7461472,10261361.939125,11134920.459125,26291094.4005915,10732259.0131741,12250575.0441935,13516197.7817702,32489741.4180407,10481592.314013,11399773.0795639,1766136.56391671,1721181.15566671,9949673.98072463,15058473.2348615,18402872.5872938,18112317.7156976,1424745.133625,2582928.2395002,14403824.3562858,2676388.28309998,8886766.44012489,16402405.799622,11334405.2252988,11481261.5974935,11840297.8992625,12121170.6383646]
["PC(20:4(5Z,8Z,11Z,14Z)/15:1(9Z))",0.998705692307692,null,null,468.966,766.533311348976,"MS2",19319568.488342,7001692.0076842,4439457.00288372,18084644.4290986,7163816.94286879,4298862.06466903,18183139.9991228,6806628.45385713,13835652.5468572,1485052.51116249,8674154.9672143,12545768.1658791,7139287.03957939,6715641.69566667,4549085.14807256,3725818.88752116,7994066.42388843,1359310.94783297,5452895.36314681,5401188.55795931,6463554.25400972,7126004.9672167,7651361.95200002,8968523.33194431,3328488.12214285,3015249.53832212,5543524.47264883,5458550.49670893,4508234.83709797,3005254.85199689,4520606.30962604,6728524.32803931,8531334.66746814,2740798.76109114,13018912.5485394,1674779.01631249,9222805.362125,4188944.194285,7761779.38344951,6430281.83432647,7112195.39293803,4833792.0248433,5074786.73455378,6101770.3509949,3848390.92004033,3929129.31628126,6290327.4185086]
["Glyoxylate",0.998660538461538,null,null,646.438,72.9930362680514,"MS2",4373021.8007729,3703965.3912991,2799137.58658114,3255084.73069667,3789700.04493509,3582992.76794435,3507514.00328922,3515077.02025477,3456232.87105817,3419710.00352508,2445049.23044715,3293180.70348011,3456410.24097717,3361120.08030979,3325177.75959631,1866256.31884108,2630538.77939113,2300776.70103676,3292631.23787526,3665718.77766335,2801837.49863219,3103127.44064995,3587335.45273467,3839248.3732,2295549.99669362,2408799.16980832,3965813.65445003,2476536.81147657,1925039.92961314,3265704.90361532,1903346.96472453,3545064.85409755,3399340.38042257,4059873.77657636,3599919.54801184,1918609.64527214,3715899.60634147,3570736.17503572,4098966.59545172,2171086.85004491,4165597.44570038,1915849.35039717,1195411.42597609,3050506.48962232,3145533.16097848,3267242.93741641,3487273.49262975]
["Docosahexaenoyl",0.998656153846154,null,null,471.666,792.585047905078,"MS2",12413219.3708627,19589692.049225,8842271.20576006,24563587.9801441,14141192.6823431,2594639.72294872,18858662.9013007,14065829.1360252,9538903.062,7225481.05376561,12225062.0710313,6221952.47046557,4982482.07277405,12348659.5100322,22785140.2749707,17769328.9354285,2418562.91004247,2719872.47709403,3181565.76940968,11298179.7462857,2703178.33565171,14007936.4150806,11428543.4260976,3257327.77311804,3698476.9606067,13526003.9004764,23566860.8411517,18191074.0054146,14197438.1950625,24487786.7626204,15382326.30325,10008189.1780313,21199363.317883,21839103.6025778,22413928.1072575,1622755.43833338,23834914.0079562,5118745.16661538,3126283.09753456,16162483.0393572,5246472.20341203,1439561.58218749,12712874.4543103,12233291.9520956,7619630.49332899,15438441.4327232,19419247.4314361]
["D-Proline",0.998646153846154,null,null,35.2844,114.055916375484,"MS2",856617.961869539,1952092.06678531,4657267.21566356,6003210.92310388,3847370.09858036,2149346.43946914,5300583.95137483,9262874.19458858,8123811.94311269,7111335.88619583,21976400.7765522,5808484.15864929,11608669.6714402,5441800.11697621,5889769.37636782,3153941.79601663,13397776.7372377,3167200.41849429,3351131.01652006,3766851.15508928,6767627.77676733,2942724.39338308,3622421.04672313,37191592.444127,108278247.99444,27811003.5715811,44442020.2731728,9312863.03681817,22292063.0965963,21735662.9412227,45176188.2716075,52865789.8859628,11171567.7849518,84833820.7297342,73291805.0185454,29465246.1359153,5578584.88895707,24814012.481575,39888707.5490356,49138605.6708977,33096209.8578518,49400707.7039923,25774201.6175893,27883339.5682837,30636650.0599773,37894472.548737,46584810.1928764]
["PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))",0.998580923076923,null,null,464.306,778.533231263289,"MS2",34208554.9442171,8266643.01267044,10000503.9036812,28583564.0456903,9426603.26899999,7050632.2318314,17353105.4947901,17893579.1138854,17994905.2419295,10488106.9391412,11168222.3868158,24517178.5639255,16156002.40475,14786693.2865845,15316184.5785,8450908.58243948,9986554.47214283,6637108.24635453,8560694.96149298,2233327.03947498,26579086.971373,6909361.19660196,12757129.6821098,10082487.186125,12050610.3872323,7777536.05087498,8560220.97096249,7176854.80133066,11672324.943375,16732636.1901111,6751186.366875,14710616.8272015,11337259.7790625,6285837.50681508,12344240.2418062,16136854.0774575,9104326.33890045,5614866.08785648,15325053.029069,11788770.5712226,5967621.10129514,6530289.19479925,21923415.4197661,18195200.8085366,7935719.09068751,21740958.0104465,15669098.5783807]
["Propionate",0.998498461538461,null,null,247.112,73.029350499019,"MS2",2727179.37001209,2774536.79123191,2462016.7449329,1316721.76480469,2788595.85937054,2926799.46316346,3353317.30603029,455595.987652573,1040587.75990619,1553819.44966483,5022538.24071497,2386761.5367615,876624.803671426,2433466.47655978,1465737.80819226,5347259.2901187,3101816.4780127,284018.640551809,1591040.94203291,1617180.60970002,605798.30245948,275011.249697351,934002.862810696,3020383.10685934,1117992.24013186,2784092.74549213,2716310.36136505,2611107.40964971,2507162.00630585,2259966.08813575,2702167.24746894,2299362.412759,4893167.64926817,2670756.89550946,2868947.71718582,2757503.42558741,2885653.03811532,2588886.86578933,3024898.51191022,2764442.01608411,2413249.51776386,1438985.94198216,2835530.44411298,2813546.04089002,1877558.76160309,2901965.06897704,2592148.13899311]
["Capsi-amide",0.998367461538461,null,null,516.978,270.277805704361,"MS2",46302239.3576785,43722246.8705152,45108444.3890042,46193589.2609825,42039273.7050314,46843238.4221907,47184286.3308929,61684768.1643078,54498789.8745321,51667420.6452856,51438377.5424998,58041813.0046136,47480276.6760611,57029136.6755786,55219049.1381619,47583597.5602564,52681635.4609497,63756272.4325727,57118874.3383724,48116434.0112503,45451319.0268799,65640408.4530962,55060567.7881003,51140135.7544589,44814654.8385386,50734806.3227708,49613016.8442359,55368024.6986249,47516233.8712442,24896889.1746397,50728104.3015436,48511604.2528929,46756432.7055614,50308729.1428443,51035764.4113672,42775758.4869642,46687305.6056877,52748522.848891,45039783.7177918,45010155.6951427,49659015.7143536,53456282.2191137,52133201.3182502,53660120.2922126,51580417.9704001,49213465.363717,55695702.4421503]
["Trimethylpyrazine",0.998331461538461,null,null,630.708,123.091122891017,"MS2",20632813.9427353,21987216.8194848,27436715.9681015,36139923.1555896,19659992.4444485,24146545.7806925,2394425.87016673,11756369.0491408,22713914.6850106,14112847.8102857,34990118.6662051,18919076.4881471,16022492.4934285,16871942.1373201,33688679.2563478,21307329.641613,23512637.9188998,21313679.0559374,9980594.24142834,31353055.3408501,12078403.7136002,2868743.50716674,22492322.2267715,16673406.2022604,15860254.6260001,21013261.5958502,19332508.0785039,36440886.4585754,27829579.98625,27429424.3169768,16032073.2199089,11406648.6964999,31085217.277642,28015769.3035001,20029029.5789249,18604193.6782758,12716456.8885714,10521211.221875,34893127.4897598,19594580.9796685,31026704.8655415,26677272.0994232,3810403.10472497,15461276.6162607,33956034.3812422,34466330.709306,25613220.906]
["PHIP",0.998316538461538,null,null,497.755,223.100563559246,"MS2",53662987.012233,7113798.49252781,39891010.3828873,8650021.77,12135064.1681406,41006851.1807659,61112397.0873469,54630154.7125454,47348222.4287072,30823251.0583333,35447057.7869003,21226811.4658108,44858858.8570965,26799543.8140188,37550387.0619113,22646728.0288254,59179736.1648887,66709270.6280185,139224087.212411,11203434.0510921,342734169.116243,57930541.9442786,197745946.140789,16656530.0760222,17857462.5729537,12365844.5292969,29584243.3873133,1330209.8649167,33711657.5559,48859625.178513,32845938.4768908,23013750.7324275,19709757.2467264,7358208.78643906,16720532.7071563,6127005.04941928,12644804.7369464,14101959.816,16969113.4232248,40099751.1051585,12389478.4621035,21046910.4732566,29702728.500198,54461511.08983,60945198.5254926,37632469.1204274,38657847.2097551]
["Ala-Ile",0.998295615384615,null,null,45.1245,203.138202651513,"MS2",1318788.42041413,796579.739764844,1369912.36568759,2399074.14267297,1686815.63831341,700678.198429769,2590639.39215147,4282468.18054223,1184078.97259896,2961536.75053504,2913002.83444922,2522914.09888887,3672067.65585215,2869278.97974484,2189235.04621877,3540297.61700861,6853444.86502235,1748728.98803571,3423897.56434671,2231012.30686875,2170126.69884979,3337868.55959473,1894978.51355425,11781266.2583767,12872113.3284154,16358606.0411823,17403010.1693036,15555661.358976,17113336.8220414,12006613.6905472,36251398.8927708,16430454.7544742,9277058.08729522,42222403.6092238,25321173.0224349,13741331.1379858,5953760.07326598,8746126.70205509,9225831.24590123,13812731.0293495,12164052.2426367,28479152.3424107,15463522.1347554,16926641.1370552,7422889.31872177,19682707.5942462,36237925.7495357]
["Guanosine",0.998282307692308,null,null,137.5615,282.083915491506,"MS2",1766366.17369929,2397003.15405796,17878202.6206762,15071529.7584031,3219370.62659265,1671648.2164428,12926217.692886,25315695.8747311,9403228.65382896,13302699.508633,39763704.1859632,7650750.59724471,11407387.9330662,9733145.22368185,11767649.0927416,5603115.13241228,14315008.2028993,4358985.50589095,2077631.06680173,4908314.49645535,8976175.63909336,4293849.6933481,5824995.06570805,11948106.3196077,21738644.9621617,33581273.6805213,17720207.6473626,3105893.07984157,20407388.1529413,23631506.5450988,18391183.6336026,25922966.8632624,27103704.9345757,17280487.3313998,68823016.2639849,20179557.4173285,5944781.85303577,19899698.4308896,32013540.2492499,23548177.9078174,12939990.2524286,34123763.3674492,22284587.4133335,20197268.6779845,40782177.6876521,21364551.3339205,29506538.3496512]
["Trigonelline",0.998278153846154,null,null,36.56535,138.054392803635,"MS2",490010517.693984,710143346.444699,1161372017.22798,1238873746.48856,1242580291.27233,616070083.449299,678782417.618926,1618246703.64834,1448863836.67346,995699666.996263,1561962871.4642,1459911474.26152,1032513416.25081,1452502521.73792,986438522.622442,1027126916.09156,1902940895.80897,1046463767.52797,1073699465.75366,1095106396.22096,1948318554.58458,1165086506.00699,1071812498.49919,3724019312.27228,5450573055.31205,3548893322.77012,3963700859.05125,2421730220.49002,3484544813.46071,4616321504.10735,4787339615.42578,4170882051.32599,2921735591.92831,6444289347.327,6335764743.46261,3620268518.01916,1481158060.58157,3875255487.50074,3840632524.32283,4199760405.64965,3957839233.5685,5433393688.94572,3792052844.62741,2844152413.97019,4951071228.80315,4047111312.93246,6328207202.89392]
["2-Ethyl-6-methylpyrazine",0.998191538461539,null,null,643.2075,123.091143238367,"MS2",21642732.7534936,20255737.9079776,19812101.9788337,20966667.5706978,19861367.0502586,20351681.7459062,16193879.3414655,20442827.385154,20749875.8826647,19571020.2612322,26712534.290933,18109104.8252682,19143208.5223074,21394617.2902791,24896876.0998361,25662925.1746598,21482861.5117901,20241408.7603498,24798877.0473844,20586891.9189374,15825957.3967508,24513567.5211051,23153201.9968931,19593469.4950532,22273735.8986619,20141587.7930892,17902224.5002933,24794657.3256222,21599445.5679552,19732465.3334001,19960859.9152182,20846591.7954967,25509656.9108305,18773971.9040593,21750914.3041913,21121237.16713,23345189.8582501,20195390.028893,25426474.1267526,16862509.5614347,23728017.781375,27119506.7580939,19773993.7113589,20876749.0278873,21009639.7151691,23972036.2277618,30757904.3667328]
["EPA",0.998174615384615,null,null,635.111,164.106363552422,"MS2",11037720.9598793,19723913.1602499,8978634.43842864,14938049.6907292,1757886.59041671,14030895.5205495,10832886.8588572,7802998.62760418,17552618.0210402,6135162.32095002,16563887.4750427,14554180.8884756,8028555.82728541,9015088.67582347,13436723.3438437,9290224.90295467,10654966.2026785,44792707.1867123,39069870.707875,16223008.3320749,14195645.222414,20151657.0948526,10486303.5415023,31740741.4112434,15777528.761686,15412525.0759343,8897546.7597664,17244967.5951428,13449112.619206,14915735.720808,10115667.0822288,17319611.2891643,11514676.2679862,19190835.9432858,22317741.4626628,10094188.051649,16356659.2809972,12169036.6068401,12778451.2048258,5824543.95550775,31018520.6563243,15676783.2685289,7342962.31602647,15749084.6270189,17336357.8758019,14239463.1219449,18395329.7797965]
["PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))",0.998099538461539,null,null,471.234,826.532125041652,"MS2",6868300.0141029,4509415.40198433,1210724.21352518,4177756.24755001,4684914.6725177,7094753.39793884,8518150.16265913,5131876.5912981,4832378.66625196,6840547.09513896,4373495.69046321,7924039.50576267,7295926.89523443,6869890.88913521,4531864.31100003,6387943.31304687,5347911.4255772,3177066.03111632,4300775.80064199,2048115.5235816,7933015.87099725,8177776.54971236,7341936.02620088,7489577.45343253,4300347.10981622,2281020.07772341,2632484.90027636,3037700.92601278,1838771.79728447,2029768.19874872,3965246.77410011,7214656.32138867,5399532.40041587,5473658.06741635,9006540.28222997,5237127.6407462,5621136.04737282,6821803.18269818,3086631.88250407,5534490.00583539,5331442.01774858,2898061.3098862,3995106.94420189,2807372.73230356,5192720.70361261,6057904.69927269,3495851.60855997]
["Norvaline",0.998068615384615,null,null,502.4985,118.08564229875,"MS2",4874038.23118081,5831001.31523651,5373835.45539484,3418435.01992537,5610809.04874179,4387460.27684817,4680663.056801,6449574.523563,5886599.1460947,5699007.77369921,6247913.77142608,4980671.70290153,5199924.38057728,6030568.51148529,4652224.41726367,5692968.54133065,5017175.83920346,5169407.88724939,5145899.2864153,5962541.59929457,4941073.49206199,5910855.06902146,6093164.39809488,6500622.74340644,5354217.12054924,8018382.214688,9012302.74919155,6266901.69166803,6255121.24430872,12051180.9222713,8404986.22812939,4391822.00264974,6488518.38964105,11133034.7854778,12967498.2148693,6587730.32538135,5452506.39299214,5961384.47398822,5312002.77568725,7207576.74707564,5843480.45087781,9577229.17718907,6864346.46987452,6094830.8059943,7190166.63014903,13881994.7007857,10134443.3491542]
["Di(2-ethylhexyl)phthalate (DEHP)",0.997969538461538,null,null,49.7163,391.281959036004,"MS2",3731360.22939445,5163304.16667879,3702175.36062428,5221636.28945067,4510691.71491076,2895255.66107336,3594030.66776241,4732320.19935347,3385217.55127239,4656243.67106777,4606889.6325201,3098260.27423854,2164589.4422514,4524313.2701973,4951870.49622988,1344205.81009334,1787026.45932211,433015.915702612,2179368.45477507,4717953.51265454,1196312.45971201,4381229.17643531,3908391.2981673,1820585.92350099,1476781.77147552,2705088.1874089,3208550.64264048,4081143.99771633,473630.617427187,3432734.40268103,3749407.86373575,3237646.69366221,7658723.22490593,2678958.91618434,3957295.83184011,286855.708417188,4020076.66698502,3122079.92514516,1607844.56728975,2653230.20467973,1671369.43214035,8056298.680264,5125694.27861413,4365049.14221466,3773592.83628172,4321731.47408274,9562967.85302192]
["[12]-Gingerol",0.997940384615384,null,null,420.909,377.272399733668,"MS2",10575011.4377143,6362472.61281428,6553782.69277344,5599595.91907032,5902598.65430468,5112336.06902122,16840881.9354062,12779692.3655573,22299826.9044401,22933576.0895878,15605910.3075383,12534652.6905244,10452455.5673572,13968150.8647669,16099559.0648099,14612279.8519286,29019662.9147178,20464318.4880521,9329667.90042853,8089117.58648438,22716783.492075,14265762.101466,28136196.6656094,7579246.41128572,10846572.0516286,14479426.7196429,8363272.58489063,5628378.78031926,14698382.0758385,10378835.0556406,13022078.5054286,17375943.2962447,12914463.0491077,10618222.9175694,40494801.5074063,15693788.2474286,9312886.02927798,6869273.68028572,9175424.29701824,18388674.773461,8083377.72450001,9435265.59721619,21098894.4431399,8381817.90593059,12135845.1829323,10710643.6041429,8337199.11726303]
["Indoleacetaldehyde",0.997892615384615,null,null,143.211,160.075077551636,"MS2",799516.352178556,747079.082264849,493820.051448121,509687.983842712,837407.934586599,760450.476841561,18706543.1640878,25241865.4559644,22882640.8364119,12176892.2179849,16382904.1402027,15042704.5278482,34882380.80306,34622553.4503093,34523751.6886357,11735321.1153505,37559434.1681572,14482564.7649497,11307571.2539463,9082525.85294606,8102894.95311407,16076725.4182244,9233089.46901744,66424222.0625209,203876068.512435,114518054.791625,101766736.023506,2528150.17935632,13135776.8787814,95194924.908107,111265637.005366,187816302.640733,26743772.1141036,7863470.82966381,12191531.6730536,32621856.0650358,4518332.17609346,91125886.7240392,28442932.7729097,53248166.8855874,25991689.23563,158165814.454217,53223479.3529587,19902924.0818982,172008471.111976,51075042.69318,154634601.033595]
["Palmitic acid",0.997878769230769,null,null,690.93,255.232585382128,"MS2",7089559.47317328,7995820.77441025,9077932.75466251,7165297.72845644,9718072.66651618,4839071.7016439,7791604.53923035,7924411.36577277,7724756.2587363,10875908.6771006,9133266.94003557,7320715.00919062,5702867.22725439,7091733.67968749,24687504.8778029,8444137.35060086,7884011.85057428,6790513.51664225,6085613.76148065,6444830.43862501,8615606.07862494,9481771.65170659,9148302.65238748,4673558.47405666,5066807.70495192,5273863.3070379,5125395.8436467,9087437.38172811,9925745.37213231,7032796.23178589,10228269.8504617,7003362.09436798,7958916.493125,4945275.27365627,5990874.11068271,7688671.75492684,2195383.75260416,5228778.23939429,10521192.1407018,3892437.32751002,8036767.07035462,1106782.21820308,6439181.18126184,5148775.4194271,5786448.74981246,14896662.3273694,6560911.27797415]
["CETRIMONIUM",0.997800769230769,null,null,394.4835,284.329722366354,"MS2",1308397.24746207,1598817.7657079,2953313.97594304,3378722.64937597,1229672.98144336,1262578.14299885,2866069.75061207,2031924.17390625,1907762.7054299,2658657.18393804,2806025.9566283,1958177.03783708,7931509.68541806,2506329.72990414,2760822.55179053,2382629.89657954,2825458.29152344,2638067.55795313,1630437.14384051,1525465.70121655,2820997.05343954,1070750.33355721,1848029.15210927,2677052.13706662,3629006.70199348,2442275.36475745,2680070.82582607,5261005.12507811,3074824.98686458,4387232.72394643,6638688.9081964,3731891.42920981,2246087.41368716,2840223.99065378,4508444.12764562,3034238.64706475,1316656.66389678,1739629.20596748,2323579.73045022,3263887.22161032,3669400.52654427,4461832.7157728,5058564.96080024,2966537.07261738,5717895.52564283,3023614.7185791,3692719.70593429]
["PGG2",0.997751692307692,null,null,330.7425,367.215279450095,"MS2",71452.595055694,64670.0501964205,4404424.81714357,2461465.8939174,439515.232522336,447253.217588256,18785875.6348449,7056915.77584127,36381378.2439472,38479518.5935956,21868715.7875403,6981411.76742063,11689535.0372851,13029097.1038386,14746822.0206492,13523647.3526742,20967550.1855877,8525762.82570533,3773378.90334167,1915472.2799268,12692620.867277,6334257.14373213,6096444.41929016,6431980.15355462,14849709.1208754,22033433.63074,11885686.7373921,2199276.43589808,38934302.5039732,21516686.1316646,23117651.4884913,23183598.8450803,19852144.6332673,11295651.8591911,143980656.211216,25543187.3728446,1081629.25010891,10059524.7375615,9891324.24720133,18305450.790675,11842152.5329923,13940541.2885209,20706274.7982594,16302757.7965559,51483161.5325948,14603960.4290357,11579037.085751]
["Stearamide",0.997729153846154,null,null,577.193,284.293452475974,"MS2",32719051.1143657,9073488.58003431,7795726.48677083,39798901.5542418,8620714.03666125,7438824.24438715,174138395.839471,10699921.9513346,10302975.2395002,9471006.57166139,7509977.88314937,8757100.39548021,31131319.9421773,11568134.8399606,9242505.10563083,9533687.09360313,9425987.44457061,7283855.64679933,10833143.5533608,10849989.1633819,8251961.86526775,9606564.79917345,11093933.504195,6452145.38277186,7527556.23813948,5124306.69332204,8510506.77462402,11296582.0385977,10669437.9738334,11874593.856077,10302272.4292495,8631406.38281252,8679268.22152079,8214969.18154687,9763926.97306315,9068480.83068505,9366757.56959915,8368145.76904924,7503915.51718747,9180591.90195035,8402022.52622634,10489473.0974213,6075382.37661667,9804385.21521764,9171799.25064234,9585949.99796897,10973507.49819]
["2 -(Butylamido)-4-hydroxybutanoic acid",0.997710923076923,null,null,36.4674,190.106627611932,"MS2",2811758.94264844,1611920.43882873,2306803.13602894,4794980.64467823,4320135.90732109,2419908.47081358,8983495.07938128,46708242.4001695,3728024.50163206,10232181.3857539,2378446.42067909,12190634.9235365,6559637.45183036,12733085.0036098,9291064.61323017,9621658.30809979,14809791.7067212,3102341.91396167,13855038.5597392,17318830.0097656,12430194.5133485,11783784.7311606,7666125.73905411,197771456.156293,127481198.475562,79073486.2423274,146224545.360063,179462282.224025,139081497.217215,40755490.936044,341869427.021035,162900317.030917,98350942.2417756,273542555.875897,96440636.3225972,53843514.6700826,26526516.5902095,41556209.0086946,65880252.2764286,175759876.365582,44661612.7492713,210424382.464098,152082957.821511,178372175.969379,52413489.4345321,134410211.520004,196810521.744887]
["Cys His Lys",0.997577461538461,null,null,350.132,387.178147702106,"MS2",500544118.654437,515068507.607986,572443171.013787,674191942.942249,518955743.279495,468805330.495482,673281363.575879,433432771.140484,531457967.082601,457860737.326393,468531069.995799,606626184.264846,648254954.190875,595696773.692268,476296668.097925,531445526.963618,555639233.270741,539816064.703467,547402750.878374,540808125.5504,639577446.300823,467534765.482338,420146347.233694,488415868.563459,609050872.047255,375069322.065653,479359051.672071,498662749.919504,413520547.715474,453161184.538694,503340396.996835,401870027.513862,480899602.017092,426070873.195353,507978192.098512,471040915.383439,513845438.388697,415392472.24684,462219535.630493,360513710.506891,668640886.427212,492837227.402436,263176400.901732,373549984.025015,337226381.007444,377393252.991282,471895585.365407]
["Myristic acid",0.997525769230769,null,null,468.2455,227.201401452472,"MS2",296067675.44186,466949332.640762,348900120.153474,520224869.459551,380708231.652954,371612607.449622,3746372542.04651,606335178.678723,2998860958.20926,884018504.883734,4208925416.96973,2023464429.33328,982596046.119767,2959491648.25173,4504404688.03976,2083715097.63264,5398397121.77691,1492487933.21239,1012776804.91213,725295135.911998,2588992906.74334,2195688595.32002,887197321.810229,336080341.873659,319481218.1066,307787676.347415,305180334.859869,333768408.681988,320843031.284985,281390069.557028,433073345.351168,313480964.731295,277231409.210795,447366392.901392,485466380.405844,257149084.157079,322787232.675946,289444594.472251,349056629.176142,328664602.90467,328955427.451994,304317869.402678,430696328.099784,318030531.369548,362044193.297499,418008014.112091,347848005.324844]
["Myristic Acid ethyl ester",0.997512307692308,null,null,646.198,255.232584872944,"MS2",7149534.8358453,15332253.9803836,6816957.33617423,10137735.5905557,7790187.78275329,8341219.76010206,18469091.3621,9718764.19054614,15827545.2393031,17490791.9879146,21010704.8962914,11715472.9687761,8887965.93407264,16034839.3616848,23340903.0488328,18137017.9091952,18910064.8215051,11729065.7198052,9624640.3492815,16883367.6490615,13204271.66381,17720739.5095224,11734725.4227886,8930857.97442114,9592413.03910149,6838218.72392526,6756321.39398232,10172271.6640462,11446505.8313705,9130594.72049226,11225450.3362416,12538718.8145687,9353345.21282548,9354982.97002864,9797632.07490963,8842428.27919138,8729725.77373285,7848154.88405138,7665333.13015469,7389225.21641178,8956851.59109958,15639639.7318852,11999191.044962,15340776.1394062,9719551.23737197,10990379.2863409,11932809.5962969]
["4-ACETAMIDOBUTANOATE",0.997508,null,null,33.54795,146.080575405316,"MS2",6424124.61184912,3673298.81904589,7154426.89356129,7066970.48842383,6286971.79688405,3390533.71275937,4085353.72055897,20368481.5464102,7382086.11645648,9293487.56579876,7115894.20873056,6000312.32643995,8901445.58341072,12210926.2004661,8084944.07975893,9582100.49645912,15746419.9965886,8364840.72102118,9099509.33440774,9633126.10637603,14189389.5193653,8391932.77204772,8357062.33784494,30156674.2511248,41435601.7183255,44898614.9699249,41068477.1907456,16214568.6785689,23705322.378301,48368428.2017307,36592449.6429012,52293710.7022358,46434049.4047127,49180740.6511137,109352387.208969,29129931.1552743,21748200.6224204,40925419.3694408,42025339.0930018,48790799.6466498,39643352.7327745,47168913.8254337,34361057.6319555,24676209.9660688,48395135.8215895,33359153.5505893,41530593.7843881]
["Lactulose",0.997468538461538,null,null,33.9971,365.103464547965,"MS2",1395735.49402513,5870765.12063808,2836102.496813,4894948.04711013,6908261.52867001,14010383.1813889,8733622.19857875,4801082.81374407,6761104.49973214,4014083.28947801,22711000.5163218,16581548.7202909,16721597.2751881,38405421.8687432,37477032.1451437,8239022.13519089,33244910.2299954,3142927.04244531,13598528.8414328,15233013.1022461,20116143.4353248,9939233.87605587,7209799.00704861,131985849.033424,94130095.9347438,3226026.4901863,4261262.14504327,53424208.674624,173295373.599249,3766188.07742734,62241011.7431357,6848575.90150962,354215.570995221,261860444.58228,88560477.3607982,16578185.0460674,4158379.68955129,3688184.02282671,4961832.8124293,24391148.569407,8961644.53176587,83447910.3559515,74119172.1614586,47627360.7282715,22821193.9027852,3247189.87614664,762612.44461695]
["Ethyl myristate",0.997414615384615,null,null,712.116,255.232590806483,"MS2",2857150.04322916,6917775.14673299,5622777.48546281,7384581.61722976,12303581.0010839,4814056.18753129,7770445.51793804,13949833.124879,8078380.79192305,7056930.67470118,1235654.97578118,6778493.02550983,6095290.28951339,23408924.9821411,10137568.4967291,7035583.98040175,7646118.65455129,13056908.3585669,6478886.09494781,15659853.7540135,7059415.63110469,9410898.51258583,8501260.85495625,7292927.12498342,6982118.33736085,4358609.0533459,4567181.83351928,6492441.98654298,6620402.83813335,6379784.07106395,6729692.88341854,7550813.16876455,8294012.81214809,5384526.08160893,8040332.57609899,7953665.46807,6422820.35597944,4241635.45733336,3728910.99255559,9338364.72291559,6201582.3474762,9445804.92533334,5758397.53578909,6996260.5496571,720783.638062642,6811299.53824597,5288866.02848637]
["2-(3,4-dimethoxyphenyl)ethanamine",0.997367230769231,null,null,57.23455,182.116900514017,"MS2",1049158.07429753,746816.773758248,1923007.0099856,1638498.6221775,527755.2317,1159546.88198559,864626.917087041,4807267.83398787,1505019.49434298,2875846.67821562,3689848.19287109,1143579.32900585,5961565.71866082,4020240.17007319,2172526.54115708,2937977.09719667,2605828.83082022,1797672.02702574,2645318.5224193,1161911.09382298,2791552.80016831,1860033.98070823,3031520.75742422,10802836.4997721,21415846.0112723,32687203.0815639,17454935.8468296,1487174.59264208,5040298.9457453,7853354.29481058,19722523.5043814,35749241.9308734,53065285.9369549,24391246.5941308,30221260.4553249,10361242.6312102,4280518.52560785,22287754.6251245,25069067.3516066,23036699.1324516,11598765.944386,13577250.962946,12914441.7168018,6137938.45768565,23789736.7602116,10935884.1884176,23388740.9285]
["(3S,4R,4aS)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-ethenyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one",0.997348153846154,null,null,254.4685,489.158941199088,"MS2",0,4988971.04148651,89301484.9921778,114233803.84859,91192364.514643,607074.827265712,149055936.302617,20916528.1757812,165565812.130705,242718885.650629,73820425.3588554,80833381.2035148,189883956.16919,280079163.291761,187522256.177774,142173121.409306,110881965.515353,148774766.972537,213075553.594308,223421438.247144,66599424.2742897,118108937.545773,42005717.726143,4509528.70407437,109077400.246677,30511485.5294549,47932780.07599,52396113.9704411,44679317.7396709,114118548.603546,11665425.7917723,56352041.3575113,138369171.590077,32302145.5157959,117648735.727006,93848600.5010452,4337048.04705764,67196437.1232439,5116422.22065368,17597347.1648217,150105061.40718,122141676.82275,112945096.54865,37475193.2364487,81889395.6810125,37083001.5290891,26853576.1167565]
["Isopropylpyrazine",0.997098769230769,null,null,591.9985,123.091119513696,"MS2",20468919.8753786,26976174.363077,18583820.2163827,5788895.31257165,29764035.6275903,15388719.1917527,3016096.53937514,24139653.3314026,16268866.6612175,20950483.673539,11794243.80255,17577763.127336,4376844.52968755,23031221.3695,41191398.616949,26101440.4587501,22467281.2134999,17142010.9228847,16150230.9210455,19069867.1260414,20334615.2600937,23690920.5203225,27163171.1306013,14285101.4203125,21951053.046,3593145.18394997,21349237.2706424,21961091.6977273,3160896.8691663,11937566.3714873,23343918.8483903,14134115.343024,39430407.4661539,19706441.3336955,39654483.5542,23917371.0888928,19086944.4151209,15375845.077672,22356501.7908484,17981538.1286121,16257036.5213801,32569758.184279,3257417.91937515,23042509.182706,3423402.40500016,25282988.4426137,47921672.503216]
["L-Alanine n-butyl ester",0.997063769230769,null,null,35.2805,146.116962387207,"MS2",12117336.1220469,6787903.89700327,10750167.9413968,23192379.7627358,10912505.33257,7153305.67354546,17407387.0048508,43016646.687162,18790610.8800173,17744463.8826526,37094127.9804643,17825396.8711907,56418316.5637194,64063133.407825,37436516.4378214,32331918.2151368,38124005.2332431,24259761.0109293,25312212.7200178,14365428.4652086,51521678.6927302,24380671.5837177,61680224.3008775,169936551.313475,177549616.431463,119834860.085339,127460727.034816,105816704.243223,99608958.8991979,89971398.9684889,205820620.261314,258314503.459009,270661210.020657,288098481.494571,120644351.858257,104372420.346363,37620917.1266545,156949479.241034,186290219.842817,177778055.108336,88837023.9819991,152693261.11164,107538619.200516,89272464.9954234,192314115.782098,100911784.344711,268797621.9248]
["beta-Alaninamide",0.997002846153846,null,null,19.5697,89.0706424216662,"MS2",47184952.5991062,37400702.3908119,55442012.7385664,35640302.1515316,66425028.061784,38338363.5450042,50324176.0720121,27204040.89,37762986.6496688,36667789.2877158,34493716.5179127,45973153.7372805,3428433.16673121,36318610.5395077,33891953.9127355,36698582.509849,20038881.7810996,1472754.23779417,1439505.15292764,34473889.9764666,66842063.1512162,48941671.3504691,2656366.19105282,34525259.2588531,1427746.59226943,2106646.03247708,1459427.49735234,36139327.7070221,4268574.02485933,3366733.65886146,36613237.2714727,39854388.493319,56528496.5753142,1944121.42606745,2218445.72238116,36073578.3160485,42513434.5250724,4608083.76185418,2367961.50061342,1624591.6552743,1216246.03119269,35173084.1103751,60917138.8547914,2083279.61061854,5900922.63740137,5794828.17750744,2359047.88464413]
["Thiomorpholine 3-carboxylate",0.996912307692308,null,null,57.30145,148.042105853609,"MS2",1376443.03823161,1619820.23904609,12172189.175475,15297533.9734151,7123104.1146723,4559916.37908732,24037260.9466379,26547341.1468159,42616115.0049348,21512339.4905111,47977391.5648199,13995160.7775684,37804594.9878393,21298191.7862169,28189680.1206429,13325749.3254149,27761850.7787338,22562894.6275065,28973159.818831,22197129.2504353,26128269.322767,21859173.2198983,36061301.8809643,16178395.6908645,11814574.9358162,15993525.542931,18236636.5189821,9990142.49206945,17639001.1319816,24713094.3102614,36713111.2345174,22096725.3920942,18580856.6371066,20779737.3147927,34224720.285551,14524659.6336179,9672898.293308,14895472.7907404,17710164.7335847,19171422.7296429,19937568.3865629,34308289.8921812,22444205.8479376,22895275.6275446,24309792.0574461,22307448.3788352,28567747.2994753]
["Isoleucine",0.996747846153846,null,null,74.39355,132.101391464962,"MS2",6525028.12519933,7024974.16586165,41640568.7556731,54773485.0137361,18995011.8815507,13822693.9515125,98606881.7790922,124571058.781561,191240422.838103,112033659.31134,222628662.834963,61223178.6891769,102381851.48189,71539110.1514185,100040944.193119,35890981.8447708,149840380.034985,88826851.0730889,79346110.3539703,79558006.6705662,90366617.5226061,66233204.096375,100430321.455797,92878040.7445623,147148527.618009,150261068.658231,116901697.101803,25957969.9349552,101876589.523425,110308306.663413,219524309.152909,172999544.993528,73694775.8106739,239069530.957244,233432590.46223,71497676.076037,27350387.9007992,103500481.267164,113365600.909848,134492946.731851,88852356.2086497,192684023.537113,119422663.843152,103071933.791676,203121257.781233,96188205.5058416,187457329.344908]
["HYPOXANTHINE",0.996746692307692,null,null,27.6608,135.018323464589,"MS2",1094146.1199289,430495.546177334,479211.544289112,839203.195666708,516072.024297101,310007.103605651,615782.499870269,494335.135825044,194252.557135307,681850.78650787,1264096.33579699,351096.263970041,1134893.99537894,555895.322421005,731311.350360204,588308.118797402,1094250.21531091,581932.301387358,666292.881756915,767810.935801841,414775.827019531,582761.859092873,607504.93173255,532141.007364292,661946.035867135,444000.063568879,245208.277457561,672091.915329073,929816.746205226,241489.10780612,546272.700080883,406594.181834487,654806.962932572,366475.120730469,648834.978868539,418948.027009545,896922.559061718,235855.579480743,349266.270207231,517015.228265595,287566.946394011,419189.914029948,610648.341109669,731309.316403213,642150.481665507,517883.96318534,241517.550604167]
["(9Z)-Hexadecenoic acid",0.996650244999999,"2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine","-12.3850422793699",480.2235,254.220162358228,"metDNA",54111975.8610298,43352032.5240487,60777463.3577072,137487916.375696,52794022.272429,69203545.067058,441097567.950051,32948229.5268243,368028807.257533,153406931.64053,440764309.522866,241443931.010443,175193549.382179,413070705.693953,573380889.246238,298194139.056424,561078846.486926,156718963.552871,98281526.6820494,79986410.7689427,349606310.658429,302345088.728331,90637872.0298537,25376978.4275844,20947557.3545366,18260819.2979623,16943509.0168994,10911175.2124955,16696780.0316965,8445678.64388972,29558416.6472762,18807944.116336,22991486.2841331,22082051.1902946,24808478.7422411,18455674.8406988,8369784.87787444,10931408.9553616,19116751.6238759,25536848.5948417,16704536.4183654,17183569.6655398,23335738.1158747,12533560.9542243,19096730.974918,15020973.0780986,14491588.5679941]
["PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",0.996609923076923,null,null,491.718,832.579281532016,"MS2",29175336.5647411,5375935.39338312,9413038.74522365,4012343.42651646,1773121.08756379,16629447.660853,18011763.7492468,4906795.78315921,4912507.76296208,6258358.20214839,4163003.21557094,17886760.162056,21772430.6461777,11680478.9234677,7122214.91404979,7117172.82217715,37074830.5658777,20215674.5663066,30211727.0855693,3899369.36501202,21246603.7462436,5737278.94504166,7338179.95800002,27199894.1989007,27689481.3878505,15407611.9479411,2130182.84579995,4464447.63825605,4536664.24638352,6360704.63349999,4305320.52724223,8264541.88113494,5231835.76918068,12932790.8079587,836547.170681243,3013621.64271659,4372364.45000434,1193721.41137495,31917004.1667614,15009667.791637,31330469.8230677,4332346.24020181,4284258.39065541,2525919.09099547,5613376.78587706,5225419.75251207,4259003.92824499]
["5-Acetyl-3,4-dihydro-2H-pyrrole",0.996491769230769,null,null,577.6635,112.075141501852,"MS2",14237499.0841255,13881573.9534338,13887887.9398714,14466881.4409123,14442863.4385323,18268801.8844531,1783968.56026562,10088498.6305798,15861288.1283638,13976739.7760096,13121066.4218783,12902112.1459602,14519979.1640459,15806023.4933861,22328938.0998115,15297473.3946145,16218173.0776698,14322089.0937615,14643598.7447542,14519924.7074214,15661090.9267593,14626106.9359614,14386348.5800475,16345685.0851332,22693730.9842793,25949602.7580068,15110446.8587599,30345294.0455,16121199.0203635,15094762.736639,15360043.0296373,15168590.5162279,16452315.352617,13919440.9957752,13487699.5167688,8085640.30290002,15730214.4290003,9468331.08962074,16261194.5021043,16710825.7018974,16207313.578907,16249066.2591654,12308993.9815288,14314781.5714752,14694539.7158051,10962598.3175782,16316361.0049878]
["3,4-Dihydro-5-propanoyl-2H-pyrrole",0.996484384615385,null,null,633.4,126.090816384267,"MS2",28566385.9582421,12850128.5015449,9206630.38125004,16072212.5509939,26059799.2303287,40728080.0920812,39780836.0276849,1341537.81218771,14369926.0437829,15084674.9474937,18902685.7975338,36557799.5250113,14943318.6649353,28942363.8520638,48015609.6663011,16651511.6311385,13161726.0017206,29538146.3650592,34753895.5216431,16456878.6864549,14280797.7268936,16678706.9781977,7482919.21671259,16064161.4955062,41527047.4840474,14590856.5701003,11315628.0390092,22732461.3227343,14061523.9578378,14080949.4459459,35356400.336878,25376064.2461539,9758279.68800789,17880919.0948207,33367418.5479331,9693006.42582689,15653635.9556479,15614973.0970915,23691380.5094505,14690789.6017684,37682750.1485438,14771160.3377944,33979252.5808049,20834947.5755012,15440308.3251667,17517725.4774684,26360827.6211616]
["N-(4-Hydroxyphenyl)propanamide",0.996410692307692,null,null,56.99095,166.08563788252,"MS2",1317441.59094902,1401513.95466552,3248035.97240802,3378205.27330707,2212801.10345505,1384880.99518039,2448287.20101954,6934510.38842101,3858723.24203017,3778317.44188786,3255947.32417901,4045364.95314516,5442624.22131563,5158085.13317658,3004925.18109165,4714344.80402088,7054153.66801704,5652087.69527661,3208606.69643702,5355805.73732588,13328514.109185,4794249.47651219,4902733.82679573,24693225.7173842,29259329.5763886,34737203.667357,18215663.6077415,12205224.8982581,20961927.6520122,15945076.171573,49610669.8198,25575449.5440165,45516451.366588,20791838.52808,27973636.6328734,19132623.7896046,5733732.60185118,17392767.8901044,24692194.0297921,31381844.9204571,24654994.3006378,37690930.4631222,14537554.1877375,29473752.2321799,31877483.5654331,24016784.3933571,41685521.9687279]
["3-Methylbenzaldehyde",0.996369076923077,null,null,150.427,121.064268975013,"MS2",10701427.7058518,18131831.5688007,15911480.6051993,18513373.1671233,14522849.6131641,10564389.3707738,11426533.8623062,14098383.4014464,12284894.7210875,12942475.5762758,12008992.186625,9927734.51666943,66142839.9635708,39956707.9546134,23349594.8598411,16720212.9883059,10570744.4796779,82691997.5453921,34560422.0491918,19307366.0622959,38872465.5950694,13077675.7794223,44613214.9465235,11597898.8152994,12328565.4549311,11849812.4828571,15209330.5654316,19705026.1860642,12340246.7825,17941712.6132237,19925926.7258351,16211489.1655244,19368753.4857154,9480180.53017242,14478366.8589155,8898140.46085712,14587711.0499602,13541237.0298438,13270256.6307843,16584595.7509058,11967095.7388138,5689026.91300962,17377992.6078201,13844671.8114697,24606805.205134,10547597.9429347,16357784.6956731]
["3,4-Dihydro-5-(5-methyl-2-furanyl)-2H-pyrrole",0.996293153846154,null,null,607.996,150.090750155656,"MS2",8126087.36900283,21881834.1183961,10740680.9769101,14427030.9222814,2126365.13762492,2125704.01094995,9353561.05767706,2677013.59800021,27173317.6915776,12115682.1895216,1867786.19729166,20605985.9558518,5802907.81284565,15080015.6619317,11063937.4211276,1434266.82093741,10692636.936,2784485.40685725,4528344.56630722,8038108.47169439,13285541.6308176,4497793.77666678,2343118.87232498,15699772.0443858,2767870.7550001,7958071.15742187,8516772.45287444,18405821.4531844,12408577.846393,24853401.627145,12181663.8617144,2533422.60569998,12673698.2571875,11647896.6517313,2450285.92348748,18461141.9499287,11718331.9555927,8370794.85261005,22083014.3636971,2337478.1789249,7268926.47904179,19154787.8036337,2397428.96548748,19047408.7109193,14008504.8915624,13803428.1480363,15397339.9892878]
["Ethyl-imidazole carboxylate",0.996285076923077,null,null,36.2243,141.065503015035,"MS2",9763495.4102704,7820268.42678273,16907736.8350542,19917666.5478545,17938667.1832268,9678067.50975638,12057027.6753245,36679722.8655284,23778380.7115732,22902866.2082567,19883128.6134019,18491853.28666,20614851.7839643,25278882.2778268,20069028.2997494,20124073.325435,34687639.4039463,14606266.9693475,18303032.9700185,22739967.7544418,29438518.8511607,16425951.5072306,22062544.9606807,105450663.308946,90616507.7485867,94156993.4313933,102124506.997854,59825079.9391135,68713323.4166595,85678442.5961704,136507831.550583,130469941.140714,86957377.7560876,143974119.954671,125708609.928919,59807688.9300753,29720564.3823936,73879504.2360917,73240625.6191795,98430372.4834403,67825566.867402,135132850.164388,92262381.9012859,88569000.5443126,83788254.1525401,85738319.6960368,205169100.763295]
["Phenylethylamine",0.996244,null,null,641.892,122.095910571043,"MS2",22040528.5851273,17852461.273589,18438765.5632171,26559149.0188053,21336354.2075375,18711033.0188876,15911160.7193034,17706880.5191585,21058541.0598655,53280929.9315099,32239795.7464728,17398068.2512172,14300959.6900015,16694616.3512143,52709866.8933105,25872842.5348081,14788828.4505929,16488371.5222765,13630278.4816757,18218147.2590925,27663668.1786295,25597881.5099078,16308975.832453,17329420.3853489,20616909.4894905,21500658.398171,25054817.6351155,23471748.0570882,46586122.173657,15805381.2594932,17611419.2403504,24938593.708732,23190328.8579374,24946118.218667,24606546.3634491,18578723.2776689,19849602.2437098,21363855.3554002,23867605.2441093,25616769.4291013,17265010.4407724,45694278.2027249,26320512.0420066,46607071.1888144,27616244.6793843,23644565.5887823,30191014.1391899]
["Arachidonic Acid",0.996189769230769,null,null,485.5205,303.232434690253,"MS2",14249674.0267383,14892950.6181346,42988681.2607126,134942064.926738,26094383.4357652,17028115.4346791,1263730341.92462,131692063.539787,1352851970.0825,1333388409.05232,1452871546.73085,556170496.641782,678908816.032548,937426128.443999,1376797967.1037,673296008.808396,1407689620.3662,781674603.372598,157317152.277593,137985851.34585,605077672.099179,408324002.097754,197306586.341,56039183.12805,112106703.14395,114835757.141202,60434103.6427031,16022795.7639786,64007997.8628655,86043662.8663748,86507293.4245063,158079310.055909,187797739.357019,51062881.3319594,114549240.111878,91427544.8231203,20598844.9691637,69394896.2704,97509169.5219625,74771948.5356594,131131286.020943,80030202.1683753,128873236.668634,87530510.6786032,101640232.285547,78917461.0575547,70150067.3232693]
["Tridecanoic acid",0.996174692307692,null,null,440.831,213.185680005811,"MS2",24585476.5623778,36326703.7007339,22680574.1451382,33403711.3654,26957174.0652949,24744948.279219,43686399.8777142,20548070.9516554,52860267.4525713,29087384.10765,51281384.7964183,28440863.6849999,39432360.9813886,38410978.214122,56120436.3171539,31307240.1497144,78727000.0248237,43937679.4740001,33618937.4193215,33029813.262353,39662716.5216741,31994167.3071428,22231000.4850808,24163121.4128429,24760546.9309009,22323538.2789621,21993208.0484968,23373784.3291077,24892022.2889918,16647576.3829141,25113201.5743886,27088865.5949274,23038167.4746488,24318038.2892053,22007241.5225291,22074712.2741835,22200826.6981376,22397259.5076626,26881555.6111437,23712071.9497514,27221019.6583929,23817506.7308613,26925239.6529992,25978843.47746,15997161.6884956,16205051.2890447,24748667.4471547]
["Tyrosine",0.996171692307692,null,null,60.09045,180.066386508494,"MS2",3430375.44192485,4361141.96526504,48901593.9438391,43638098.2049294,28698486.2447196,17799876.7954301,83107678.2217415,94971413.6721202,193068992.335052,66976812.5427514,143052751.1945,48275384.2196002,236285059.153154,130790085.824615,116284113.624543,23911477.8889939,72256433.0996282,330180595.581387,128112441.142503,100782219.958919,303635706.012081,162999009.852181,379559442.958117,34139203.7071885,52638982.4527885,54596055.7225015,42344318.8596739,13581063.0822159,39614844.6913441,31038516.5699368,109420774.347904,57317383.2060498,18599112.7854266,96945808.391987,124172021.71582,34564762.7259112,11420273.9783438,31799163.4024672,41546176.6310054,60197492.9824867,44805453.2831478,107745432.61026,61664154.5443412,53347873.7134657,69758763.9433659,43136306.7132891,111088638.365066]
["2,5-Dihydro-2,4-dimethyloxazole",0.996159076923077,null,null,574.205,100.075156100061,"MS2",64096725.1279718,60861895.4291445,61343425.5138967,60778347.4251835,65662794.7718038,66301551.0003825,71270171.9546509,68729882.3658459,103052271.473944,63377815.5367584,56569846.5623723,63589627.3328465,66930360.0067017,68881149.34025,59142623.2395882,57767289.2746304,71386744.7769165,116049942.942316,73575880.8203939,61984562.4661784,82333026.3055408,41618807.5752002,62678073.3341777,59868211.1319785,56896985.2361995,73681787.306688,9041406.88266562,35597905.2232141,80858479.9250543,63085238.1869696,62277782.0525193,87201325.2129231,85045132.8226491,127660377.461722,76447885.4936666,90736196.7179447,65360439.8025391,69315799.9670135,21474016.3104376,58475945.3671801,17461425.2346671,10560553.0524994,97129829.6883476,151595572.724143,83782586.6678998,117653431.827176,48454106.2289994]
["(2R)-2-Hydroxy-2-methylbutanenitrile",0.996126846153846,null,null,596.6455,100.075150004006,"MS2",40540385.9980404,41886722.0886108,36016363.3625793,43697064.9913147,42163000.5201223,43823775.3443359,42606632.981822,42053573.7444672,13052597.7620005,37163517.9778732,41051267.8315655,34075579.0673218,41250453.0793361,40834433.4618164,41216601.1736418,95154021.358,15061019.1962502,24062518.0508998,45103436.6864174,38496206.9831928,83526276.6062106,51378518.9788042,37767668.3643004,104738653.635077,41760973.6013692,12515802.7329999,68509637.8462943,46289198.9768179,88594476.0363899,83837781.4540854,83753119.2053504,51412190.676869,61092279.0708208,11128463.6104995,46608281.6328405,35968088.4051558,42380192.9271144,108120894.460527,63151250.231345,42598022.4155518,56824654.38525,10838181.8062494,46907525.3594545,38673555.7580004,23953613.4012281,62931632.1219777,91494589.3870957]
["Isobutyric acid",0.996097461538461,null,null,667.628,87.0450447447657,"MS2",1568509.46043748,2709269.56728785,2814212.52019186,3279423.54102767,5249423.1049704,1760024.89026756,2351513.18763282,3006150.31355558,2221242.43068269,2229206.29525861,4552835.95914725,2060442.36573086,2375776.78055989,3437672.600008,3396376.03638512,2603891.04085624,2492889.44998292,1364331.72838539,2948150.55715387,2832435.47516128,1333179.00859061,2270918.22057925,2382977.88009256,1973939.29537347,3107070.49544933,370616.696646872,1800764.31060881,2833127.95228751,4132913.04775331,2695135.84047944,2805847.9352604,3369045.47708569,3295710.49450604,275610.746093757,4391694.21506821,1083461.39763749,1149320.28917446,1953128.0781903,2993093.23212945,1712683.60161228,1669901.65319748,3902455.64242186,3102455.88764062,2588222.2784096,4100120.2255502,341577.113250009,3690214.20752679]
["D-ALANINE",0.996072461538461,null,null,34.9316,88.040307156783,"MS2",299879.234355963,678829.609752882,3570131.92400621,3488047.23907724,2333233.91685596,1630248.72773214,4032860.92756514,8591994.37244543,11347708.7423928,6037791.02493854,5321812.15869301,5329348.1448447,3364439.15952974,3677940.62288732,4696251.85153599,3173400.56515004,7009540.45081612,4283289.5034174,4138821.79709352,5851245.42849084,5353889.1194645,3339008.3712385,4055979.21195536,32609662.1307321,35805019.1478494,19890211.095425,28409183.6743929,3188755.77469554,19758557.6718738,31311387.2084464,34910797.3171287,30528491.9588947,12366356.0548387,43341548.3034081,45705354.880254,26602451.2887186,9929242.02473782,19380043.6150245,23640344.8143049,44891101.4630951,18853629.4841947,48584622.4676066,33558838.2991301,17983761.7730951,25935573.0678223,28052682.3436176,45484546.6106337]
["2,5-Dihydro-2,4,5-trimethyloxazole",0.996033230769231,null,null,633.9175,114.090837547428,"MS2",39060811.8932088,19154938.877372,32064464.3869858,30862859.5862407,33734424.1630462,33512227.3789909,38368322.6620272,35051731.3588176,16911927.2706429,62196231.1275564,25021307.2692512,31713137.9271042,28596714.8021575,34903363.3561513,44367902.4268838,34564130.3329527,46746424.1092241,56344447.7837561,24776921.5049421,35603267.1124038,29825824.8868626,19926882.2647516,34024084.8449981,26469590.5468235,17866648.4200944,35801496.4499756,35464626.9201266,34089355.8803813,61733518.4430462,35671741.278915,17400188.5370357,33557680.4480593,4176687.39074997,42213406.2641052,4077628.72952517,3075513.42083332,17290869.0209088,36522294.1214446,18280491.6898588,26451665.1349023,52233530.5364202,4219348.9594499,34487744.798289,33610322.1687987,3020099.49495832,27275124.1653542,30868770.2464406]
["Arachidonate",0.996030835999999,"Convicine","5.4450257828584",485.529,304.235785447293,"metDNA",2839771.48738326,3196121.47497714,8908576.70069534,28828150.7172438,5492854.58145274,3865490.92878278,270633616.493782,28091957.0141718,295297456.201,290789538.201312,316038190.143575,120119107.936072,148218243.628387,204075983.54065,297372775.234817,146287984.153866,312625168.018619,169102498.880898,33094361.1291429,29720524.0083376,131283826.991482,87888248.2225941,41792397.9949985,12100924.2425113,23909451.2591667,24605712.6837508,12880121.7854223,3222476.10942277,13560631.7542523,18207856.210727,18064693.2722781,33758021.8756242,40348013.2052289,10792469.3711609,24210558.6119407,19381626.6656098,4273101.04997164,14577979.2406518,20919589.8090861,15619226.5401045,28132373.5148521,16932169.0266797,27635896.1576594,18474610.0997959,21782768.0992633,16821798.7369378,14739540.0172035]
["(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid",0.995991388999999,null,null,460.313,302.220114932209,"metDNA",61534847.2987711,80055305.1780703,61370139.9358694,165375234.061851,84029967.7861925,164503990.853207,1212728850.2162,66058621.3707502,1116732002.55871,740860503.641948,1080631757.9586,547713917.242761,542811161.738361,894423557.463468,1288842340.0509,604909477.680884,1304874368.74063,849600947.068051,129709576.278715,75940678.1406172,475469125.012234,295474883.959581,173235361.966034,35464046.8195964,55085846.971553,55794851.1501098,32491344.6036499,7318364.29753907,34327899.3520674,35700868.3223991,82620525.934633,58620505.7085931,85684104.1661391,37654614.194922,72749999.8006762,53909694.9118401,8183444.14740667,24797578.5901146,46639987.8530959,51452882.0415711,66013361.3833478,51002097.8190016,72038180.5436132,48825059.2508841,68468073.5343137,37233088.5662832,44343940.6134375]
["Pro Glu Lys",0.995978230769231,null,null,493.333,373.209202955451,"MS2",0,0,68205.1768532233,544313.098113866,54602.9827384244,0,3899609.62417651,335100.729620443,5491338.119866,3309670.67831,5394973.69666569,1740698.34371317,1308568.1287289,4152594.20864348,4963649.23380224,2039110.82790948,3729788.75271653,1701110.1247513,266160.759960608,177507.417933241,1139576.8417513,1856417.04451172,427847.646240385,90217.7456553633,133060.827714844,61465.8522901101,39103.2774039073,9399.40535655889,73663.4553433494,67053.4424882369,239427.219278564,92147.1609744755,611717.236034179,102806.601670352,241193.538728514,120861.449563953,36750.2238957882,104200.122047067,58277.2923099209,100584.556422255,144278.038731672,209094.334051121,298139.616763392,91552.1359933669,141096.748158319,117157.312948595,250379.47003526]
["Butethal",0.995914230769231,null,null,36.5764,213.122355711643,"MS2",3734961.67277142,3965006.4674612,7968900.25449062,10172331.7874373,10872802.9277281,3906099.78332379,7387440.39506375,42355383.3455536,11676146.101187,6391406.51960663,12513772.5074346,16798864.8617679,18912269.7230111,14391196.0659878,8184490.85252402,12265708.751907,24303388.6245438,4893366.91852007,17697511.9966874,17477295.8415277,18189762.0717289,10532385.2940628,5802828.55229524,38913261.5660348,71073374.7951881,148557115.911052,47869044.7099402,15594668.8037679,30152032.7551763,36731607.3072798,28867031.3921786,44168426.1409713,52998646.1723408,25212061.5017143,30311597.200776,38450732.4177225,65435891.6028302,40319019.3736802,88744156.4599906,31711722.9354828,30113856.573228,67761533.3005691,25491585.3508409,65036280.8857715,64996016.1676216,56169587.9587175,69025265.8595623]
["PC(20:1(11Z)/12:0)",0.995806538461538,null,null,491.4595,732.548236840939,"MS2",5009828.82263723,8530646.18450143,4149429.33126068,4445079.94028172,2326582.50223818,1000130.05114761,10105281.46762,3380854.49489882,2326973.33640675,4851392.35452885,4277565.96950752,4375311.72339942,1399494.3667565,5155004.46029806,405708.923812483,4034608.51980959,1673538.25690544,151874.713404829,650231.697698888,3770328.20633232,2931328.59133512,7398419.04142462,3867538.39144486,512190.205230418,1301600.15426897,5122287.04832911,2951112.67053606,4659388.67606876,2936148.21296964,6726283.88350962,3249748.81629583,2335110.26090044,6405909.86389436,12688310.9210201,5437190.69842038,2951515.69573477,4626180.11014409,4607593.62642362,363246.387933762,6154833.91104278,427225.524108207,3643555.61184087,3189036.1537382,4608766.24319548,7023047.721126,9891702.25370345,6827515.4013559]
["8,11,14-Eicosatetraynoic acid",0.995764538461538,null,null,414.693,301.214676605347,"MS2",318917.30774754,739757.018099965,1640036.70729815,7065585.08728853,1294352.75217857,766812.025947024,4045995.71332758,6507140.79728279,17297201.6701036,10789914.2047931,8774277.49683421,14816817.6645904,26486111.0779387,13824484.1530291,19474515.5762809,8861603.05488565,16333714.109721,42020036.561359,3257043.66983103,13487189.9902426,22569034.9844426,5471844.93514284,13854300.6327844,1051965.02343989,20311131.3160805,1906245.09298828,1213773.65371094,13630.9736658349,707681.110367478,2618179.38114615,4993496.266,13332529.2061828,16246181.3301058,537722.774241447,588064.304991344,3065986.88643168,105666.491896701,1706207.76045662,6795616.56821875,5560905.42362828,1598293.24228875,5305192.13321941,2584348.26177883,1111890.65384087,4212760.06712853,1607966.40633775,1951544.48990408]
["1,2-Epoxybutane",0.99565,null,null,54.9782,73.0644047050813,"MS2",38225913.6386862,34716384.0610105,40980613.0722755,39448379.64501,35836260.9623345,47152348.0555788,31211257.86085,37112351.9827125,28615304.760367,58076953.4253703,52462779.9380025,37154499.4228341,55934147.820225,58978674.2938642,56131242.9842695,60962531.9139281,25233854.7009951,26081074.6890895,23062117.0284845,36078719.8124734,43415953.7005787,42334446.4929491,32713022.4803122,41591585.2051051,34169646.5736873,31147736.6247617,36242942.815,34947910.8655033,37227176.2288823,39299796.7383919,32368569.8858342,33400090.9830011,40290956.7743478,65266488.5993224,35353614.3437894,62358230.4670471,35676004.4437522,34999581.298235,43179279.9498705,34279856.9174775,26884507.6543304,36260761.8876995,36770653.2596467,37297213.7863255,37806377.3166031,32392518.289375,36870551.2267698]
["Propionylcarnitine",0.995523153846154,null,null,129.4505,218.137726762239,"MS2",785177.397220361,780199.26081955,4018510.80964884,5459295.89006639,1150973.06640605,790966.121093233,2491307.51647615,8192337.5293572,2697282.98219018,5936561.95906779,7673732.9551528,3194159.44167868,3361213.12284931,5302858.6218802,9978211.84616518,5801891.42587746,19447473.9635264,4069825.13481329,7001317.06207742,13143069.6580832,1496261.26460996,3422569.73955259,1698505.97514063,21020434.7450786,17081344.5780733,7278671.04723836,18541241.8765293,3217600.95709994,26815085.2302004,60247068.5034417,13179578.5024035,21439164.8240279,47758480.0345749,12228787.6045875,162742904.021009,8928811.5940625,2482608.24400136,17522010.5149175,16173746.9188625,21704682.2772537,26316526.325,24300738.4003125,43343249.2478787,19766016.0694286,6437882.35273622,22100264.0061844,21218730.6606539]
["N,N'-Diethylthiourea",0.995476692307692,null,null,34.59695,133.079516550081,"MS2",1018344.88749573,1298356.02445619,545418.620653767,677017.414647321,471546.543191667,2006501.48110455,858382.125434636,1924107.89408036,2509538.24828571,4300925.97599796,2313534.73409739,1179965.32419734,562017.990443229,3974256.29132845,1076826.66046026,579804.669895648,1613455.11565361,1884016.18252146,1140065.23587799,1854127.71852673,2435841.89822652,938009.513207812,1019506.68220596,11500933.2322659,9465324.65357143,4903315.20807128,8884966.95265327,2455656.00428571,4547608.39092857,9048645.11692053,7045134.37413691,8361391.35500795,3717080.26443256,3243542.71984564,10628690.4672625,9050537.34905208,3285057.29656136,5839180.82941918,7386295.28046429,15799431.0469974,5259833.67383036,18176940.2712857,10490195.8438428,5621267.66609475,31484914.1350349,9954725.70963374,18911215.4774176]
["(+)-Isostearic acid",0.995422153846154,null,null,563.9945,283.263785298067,"MS2",23217341.8243756,30176398.5461344,28484866.3116213,31961243.2590302,29905257.7920776,33300488.7130215,38284955.869535,29835327.3851468,60619480.2515343,38271378.3346499,27181326.5907616,26122386.2531251,48003223.2883336,11741921.7222056,25782970.142903,43387396.0290096,37521999.8594113,56709119.4696655,29481857.9718846,36310696.8688809,24330476.9939271,44795785.8713,37760513.2221719,23826487.8273301,26028206.9458537,23782794.4977663,29131578.4606188,36435022.4110506,18830655.1297512,23331137.2574165,26631606.4973044,18323459.3771338,6297014.15292856,24907969.2096505,32729373.6638187,19117431.6058221,16263946.9278543,20622517.5129662,24415143.7346721,29276886.4887245,26478869.5555018,22544684.610487,39793492.698853,21110066.1473101,10654902.2548124,59975034.0279221,7348440.75483679]
["Val Leu",0.995238769230769,null,null,153.8615,231.169222629244,"MS2",214572.669266774,59671.327068714,225412.709607256,165575.291973509,200847.239017581,38928.2546829912,271530.025354922,1675716.67709401,1477937.98070931,586038.222130408,299718.421172769,127909.796299361,642569.141876439,507069.336089705,446678.419965948,424488.375166221,798444.943401518,153303.071353853,1307016.29565084,433984.166392721,447283.534677551,1395966.53318895,79183.2355900728,2502378.43783474,2895532.53762494,4561486.75975781,3495081.06591543,3411519.09155521,3583672.73163412,5672338.89623639,8515253.85604791,4332531.04177182,3828729.43266771,10926481.0506513,5003034.07163541,1470518.92145089,1893654.98062211,2289410.11517214,1581422.33226159,2667338.9238634,2298825.67402916,7981288.99467672,3155966.23871788,4901064.40540772,2565136.87370976,4643778.3348526,9829850.6478292]
["Benzoic acid",0.995037461538461,null,null,212.7875,121.029363881044,"MS2",9562292.46511194,19758630.3403882,12555816.0675893,12001785.3597822,10575045.9606366,13436310.8883674,36162213.027439,17675693.3411786,15953314.4361577,26263168.8926433,28318185.7896448,48281826.6487043,53547566.0195853,44725504.0661297,30864371.8295281,17914084.6401136,51632982.2313155,32578406.4653842,14311078.1466161,57555725.3943658,39075784.5106531,33547204.0540519,68550959.6141344,9244169.84224175,9861059.59826946,9477277.41766209,9255735.53006573,10444993.1255514,10768633.6307917,9286876.60640698,10870647.5749194,10634781.406661,10615487.7008647,8833943.3675977,12279318.3947754,12807348.3072369,8753260.96761009,9109281.54436443,11646532.6862355,17460723.8423078,10111387.4167957,10766003.0814876,10476693.0675444,12792627.3638902,11573181.8481934,11474923.3833142,10881194.6158562]
["NORLEUCINE",0.994779923076923,null,null,52.218,130.087181735605,"MS2",1343376.24190555,1527168.24254902,8638857.0099198,10919214.2869281,4173719.51316242,3064266.83279227,20749317.9017545,27459854.2672634,44567045.9097187,23653518.5474727,61484939.6126996,15194079.1929574,14877466.6684742,13505407.8800645,19968789.2079459,8082644.4635625,28555664.593555,15420289.9268527,12398536.1265283,14304536.4813077,18803266.1357761,12819476.7506694,17368634.2465608,13851898.3796402,21068091.6621797,29590565.7606615,24902694.7839203,5366950.12964732,17803449.0294911,20517314.6650179,59720089.0890094,30462053.5181274,13495107.8120625,46457177.1947679,68129271.7956844,13778234.4171018,5071153.88357018,17611817.2062887,22776099.1626646,29932922.8449789,16391265.1020363,42115128.1106731,25261264.4184065,20528703.7404524,35629593.9198757,20220831.854702,39911121.3622616]
["1-(1-Pyrrolidinyl)-2-propanone",0.994690230769231,null,null,555.9615,128.106425840222,"MS2",10459803.1428243,6427134.41462909,10067172.5110888,24880267.7145519,10746341.1289073,9526960.67591541,10549056.1284005,10051512.8380029,6282428.95293752,8307249.08776016,12844915.0532657,10207516.1849476,9903000.61246904,11342106.9723194,14700339.9793414,10034916.2784411,9637887.28841518,9049755.47214096,9401024.49900532,5270711.65941798,9395019.25255885,12522039.2512942,10345736.9680628,10546936.8978897,10092598.2115245,10958294.9902902,11155120.7039314,12512863.8504803,11408824.9140937,11293242.0466581,10910855.9849771,10629143.7372521,15319403.8264281,11999187.1419811,15493655.7306289,7635986.84692773,13663835.3983093,10707613.8681507,10039307.9317217,12010509.2071671,9962247.63091429,11199074.202788,10229615.8635658,9835882.73841709,9053798.29300665,10590004.6920484,9929889.24570806]
["PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))",0.994683230769231,null,null,491.72,826.532416619539,"MS2",8810161.66260306,3040504.84020339,868666.868906944,3430164.64681224,3822265.41388855,7844359.8007452,5707837.85835615,8113572.33644482,11785157.2326134,6218638.36237547,4546388.74491337,4705196.8062259,7881809.45846635,3494143.80106771,13671846.0949326,3657072.99837985,4363430.22734373,6010289.26742622,3627631.86363282,7234524.40564287,38082202.7391663,4108865.64526508,3840924.73041596,4393816.10069195,5953885.34785584,997000.783147539,4034569.85588426,3301204.87185006,1249027.02687776,4955772.82865729,4868888.06211108,14366384.0585332,7734973.32172011,2084511.86224177,5720403.99292279,6060583.11899248,4076730.35554028,5879876.61641177,2615246.65774799,4772901.38173715,16776134.3693812,2609670.32712157,4440682.16014182,4252383.87758961,4312551.1910682,3088324.90681211,3655444.71782744]
["Phe Ile",0.994664846153846,null,null,214.782,279.16896471719,"MS2",289793.974227628,740858.763235642,14753061.8151429,15628007.9355652,2752859.53908985,3535380.01502678,51666365.6973684,3908772.20921728,46382269.7315138,31476843.8423649,46953363.776625,62176795.1486447,73720805.866717,79712993.5785,79240967.5252976,16771127.2770865,51819604.1176051,63152029.3015112,27678740.931481,74887104.3270352,71990806.8289433,68613803.0287741,23774052.0075177,16549929.1716607,17412705.2517891,28850789.75015,226220.144544643,43708306.3869734,31269446.0742857,488903.605201391,42620429.5827562,39437796.2526323,41501450.1521643,31044355.493486,42713697.1365648,36824317.165916,182357.295810157,30948132.4358554,99798.7178725963,27695240.1669008,15366549.9317446,32331731.964375,374005.399533691,321798.317847917,41336239.6885185,45236788.3945346,43100680.1816614]
["Phenylethanolamine",0.994518923076923,null,null,630.69,138.090833642559,"MS2",16196901.1738586,23668278.6400795,22770179.5459813,22535889.72876,20991669.4875533,15363442.5130692,11470562.2605,21391924.4790345,16592344.5461,21586263.6288508,26877873.1832419,15679510.8335061,18365265.5366873,19185581.5014062,20855490.1396543,23254980.512264,19816901.9818338,12711132.3727,20140945.0327616,19124075.6981221,18329343.830867,22040654.5540343,17860401.4084167,20907290.3193169,22807609.4873959,19593499.9014158,19313473.4335258,24526025.4998571,19484853.8037962,17087383.9593318,9443806.99867508,22809708.7628855,21155425.9565626,7695042.53647235,21641613.6750842,13599812.9430215,17456773.7481428,16998827.1251482,24160780.9195149,20021072.3779019,8410355.1506945,21958321.101638,19245175.4007013,12624195.6907031,25655550.250556,27546787.0475704,9711817.58749992]
["LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)",0.994458538461538,null,null,395.315,526.290049889056,"MS2",1709192.10022321,2490615.50779405,4392387.13567911,5831711.60125125,2814641.39840309,3756308.75962437,60430438.233322,7725550.80285357,82132445.4249115,28102719.5699903,37598775.0240316,15645819.8910367,48255929.6298902,23128992.5508697,52974531.6227869,30122907.0817668,49421242.4839187,63692965.5345702,11267077.581827,4348829.62951439,27117657.9736149,22910743.0084195,11940999.1933368,3940464.84261156,11297624.8156835,6396920.76606553,9720303.48990673,1965607.52873094,6432532.82102035,6449009.23406426,4484425.92452677,8696305.34773184,65246704.7260923,7729842.29047684,29959098.8374264,7645489.03672967,2567885.2901686,5770833.23799877,5657461.22153565,5556202.09428003,8312193.27624127,6471545.00779147,7878548.63300307,4598925.98530726,6877090.99913212,6625939.82250977,6467922.34515225]
["Myristoleic acid",0.994452230769231,null,null,433.011,225.185668642109,"MS2",6616305.23287502,6215764.40288839,9097669.21398231,28165062.9827675,7178812.98547415,6188458.89438092,26738543.8763493,5909425.73425481,28538704.5388637,19260719.2550676,23721397.6803999,21734778.229177,25884620.1712565,27111824.6677217,43187136.0288984,23745031.8882771,38961845.6484826,24807126.375139,9904484.93305078,10654901.8009606,22251516.1036818,19266475.8684609,11732982.4674793,5055581.29679687,4898431.8220968,4788541.74211387,4838845.63291071,4405999.02202214,4638241.02699284,4781612.67070042,5221647.1784323,4665343.26564297,4643529.71799285,4530905.07984601,7123528.97188175,3889645.15853922,3961004.5387072,3668906.01106267,4713353.78041083,5544001.67969809,4739943.13734442,5229823.81218813,5911462.06016395,4387267.02996216,4500447.77274339,4817567.97008035,4207102.18569642]
["1-Indolizidinone",0.994335076923077,null,null,555.618,140.10642433946,"MS2",7514899.31226855,9824635.47286177,7815698.38340276,1471921.53333749,7297927.59925917,1558862.81617499,31344350.7525087,26138939.2084081,1585742.54938749,1610677.31527499,2972682.2068126,7277348.16328548,16932333.0630952,18410079.1148834,17144583.5351618,7430288.85213952,12386661.4236638,1239007.72046881,1312489.10109367,17614419.5614571,7034261.5530554,9365949.85702216,13311610.8821119,4289674.36483327,11055138.8690489,7408645.67010102,8283275.85912938,1967783.40870008,7739138.68850767,1036582.94487503,10958694.1202564,20570335.6493394,11351514.9667451,9625137.50371009,16672007.1777112,17042669.9516393,986491.745833359,18555089.0495027,7307889.62698477,11390492.0189375,7027777.04818007,1792794.56422499,11790980.658573,22062045.4988509,16891324.9221455,20075502.980306,6993014.46629272]
["Hexadecanoic acid",0.994324453,"Bisoprolol","19.8271646024147",410.137,326.239024895556,"metDNA",303447.436151786,586265.596086161,730745.471861263,1863584.11963826,627811.263898061,1030152.67738091,6810248.85192687,1332148.52687608,3907506.52893923,8236670.84358245,9372964.57376648,3639207.80929423,2201025.5665293,6942928.91382294,9085557.97379766,2727360.64367611,6264775.96796979,2484520.38877446,1923840.27864807,2598746.86778165,6651891.35193721,4028182.72898976,1875579.93832854,106168.043977851,222983.551922401,430197.231261555,326835.914081869,208458.544913793,301246.001653124,155895.849510744,94358.9732022827,249520.260352344,292821.643031849,337684.421765626,1024573.15074977,449488.051655175,73650.8302880395,35325.8355588764,95837.0538139343,388622.65395874,473448.575135872,111788.87598877,923791.084701357,327694.336187813,174169.660197367,657608.712083338,44673.9511039294]
["Isolauric acid",0.994301538461538,null,null,413.9355,199.170061115028,"MS2",88319049.0627054,174542957.809433,94032921.2940002,125113443.791143,126420342.228755,78963721.2982803,151542557.3025,106631856.105698,122325159.809692,96804999.3434432,99098505.1568574,108086844.377572,106806790.431366,134524388.298857,145063693.248113,113921908.388445,117617210.718023,101480846.665089,105119745.088299,95903636.7844283,161630673.843922,103834127.090572,94302617.9354998,91639516.9549419,105485274.44833,103674495.357643,96141559.7510731,80037177.9519198,97589175.3710453,96285728.316966,104696492.161962,134386769.654442,75004524.9451308,128187975.653845,154196401.924837,65364637.4512236,121443958.281399,99520018.6332855,123458483.521285,116323543.534332,130371197.588462,110461343.265641,121084952.362024,125486927.004215,98183266.5174522,226935083.275073,117357490.200593]
["13-HpOTrE(r)",0.994144615384615,null,null,468.187,309.204291109359,"MS2",2371264.48819912,3858065.9635523,2806721.37071674,4198074.04679463,3077493.46786608,2923415.47631251,23512390.7134893,4724838.73421782,19336062.1545,6004441.62201561,25801251.8822611,14255255.1519851,7292675.90446301,20168958.7464561,28219999.5233002,16405715.7569878,31746201.8917897,10317380.6699917,8048854.02637353,5880738.75876218,17918102.3517719,16973698.0056428,6906955.42945085,2538596.62924733,2334781.64522819,2374630.27828653,2294893.83560689,2742927.65021785,2456582.9420977,2157380.95258852,3425445.45176787,2443850.60034376,2233114.68278948,3389129.22077126,3121197.57012708,2096919.99270264,1417672.24991843,2171705.54431782,2705819.18565758,2443652.11956654,2682020.92653272,2475478.30734794,3253449.04308243,2560324.58035156,2872047.55970089,3439667.7681686,2948919.71669804]
["(9Z,12Z,15Z)-Octadecatrienoic acid",0.994142951998714,null,null,465.66,278.220092910353,"metDNA",4918879.25992413,4711795.44112329,10567489.2205754,23222698.8940097,5778979.30176642,5839714.10117079,556588688.715356,26664093.9839065,558589510.393528,123138220.339832,493771839.286762,307817968.588231,127586543.235109,452129276.439261,728991927.982669,340258657.980628,667034149.126799,186015606.593814,112952179.610138,68624355.6502342,359516995.838182,301150875.769404,91552258.1987188,10731334.6513475,17935227.2470904,10748872.1940309,9483422.88482289,4664412.9596341,10884698.4841755,5571368.89245215,25680119.9491162,19085032.298824,19437537.8895103,14506560.9666481,28655396.638025,21149847.9635674,4094975.87074112,8547435.30460985,13953922.5495237,19175884.4415582,15773136.6072061,14179289.3631114,20661137.416242,10485593.6842989,16609363.2453337,12341669.5534359,11743662.7479584]
["(R)-10-Hydroxystearate",0.994006288999999,"N-Acetylglucosamine 4-sulfate","-5.71875835705656",429.003,300.262000503951,"metDNA",2987539.58354994,2724206.5268164,5225677.91886495,4508355.956175,2963518.21238511,2857587.56491128,11521703.2264836,2723880.68350854,9778716.6630971,8202108.113767,4991422.99681819,4230727.05934373,3484284.58491088,7173074.22182565,5338957.22194394,7415339.53523614,4072752.22939295,6948131.8593473,3604064.46775204,3365277.99806249,4577585.30024567,6778214.60843053,2636079.23088472,2594789.12837739,2480396.81653267,2654852.1015259,3145652.20901462,3682863.43592924,2848407.2287494,2337080.94530775,2799273.33297888,3210753.60755863,2211342.44583984,2620630.23712509,6393364.84036535,2883015.40827472,4116621.93964594,3275765.62576357,3155438.57394045,2953434.44233231,3468389.14959256,3585149.19211407,4243937.18589155,2843152.576875,4364279.50935447,2804794.34090646,2838751.67561265]
["NAD",0.993919538461538,null,null,44.7855,664.112654932715,"MS2",0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11181.3793441588,0,0,0,0,2239213.62703787,2268010.46034248,2212394.55404277,1629546.82871884,638961.061717207,820081.492753739,464277.373774858,2972034.553731,1958644.25607213,1468748.15993029,2741676.52763287,843988.001841405,1146898.12053171,503700.670318601,1665937.45138991,2074377.86726148,2434133.79929788,2146228.10450257,3367204.96072777,1562301.64176584,866802.687390208,1871290.34971267,1524308.04628104,3754872.26743719]
["N2,N2-Dimethylguanosine",0.993912769230769,null,null,160.707,312.128591600493,"MS2",571866.297564845,233620.688685417,364451.930306434,852969.723005938,297533.978536764,345933.971965359,1513015.65270483,643146.648569491,2057010.3270428,1172989.32182739,990053.936500148,636900.757500001,907753.478520508,1144986.27262181,1667088.85432697,936263.117988279,1724628.45517312,846417.168507816,510238.747928041,901452.107718512,384161.00847803,824648.250724954,228940.168558919,1275620.59853303,2143370.08328082,953695.218260797,1321943.78423404,592994.091857141,2112200.07670654,3479764.93603063,760749.090363281,770318.323646486,884897.600137427,1003641.23402678,2706028.24154465,841121.140569955,693647.277043901,1066267.03323214,1255119.37857053,839452.412732145,1117694.98987549,1347679.21536564,781657.752229493,742325.861111506,1271708.0180175,566215.409898871,941354.765399996]
["Nonanoic acid",0.993813692307692,null,null,464.938,157.123109299323,"MS2",35287280.7515396,52245376.6335574,36021511.1287844,101924655.535237,52742134.1616844,42702249.361827,26980934.3254286,49730537.2215706,39675537.5705287,34305424.3552829,28914157.4498339,28448808.3567231,34322048.6244056,41476157.4311536,36427082.6320766,39047902.7569954,21382617.2285139,31445885.6768269,33730295.2898845,141041519.037371,28102893.479061,49182536.5552595,42151642.3938364,35854811.5210375,35638605.9415705,34325059.9899647,54088590.0585563,37044095.3231531,38036499.4362875,36588685.1682858,77763305.0182693,35387393.4076923,37943593.5844625,32665188.1789423,66019808.2805781,35601611.7344552,35146022.7853969,35008447.2568268,38646535.4736156,33990892.4985938,46893886.0049707,33995477.9491024,129952520.48109,34507195.8459936,63653350.2909361,38318628.4817144,42366747.9864103]
["Margaric acid",0.993783846153846,null,null,91.9298,271.261758110458,"MS2",9786139.0715228,14359746.5249527,11202442.1366457,14055945.4216752,13335955.2942746,8104158.44194474,17617698.6403419,12657184.8557143,13903801.5653194,38276208.671629,13647242.8182012,9528110.03832223,7387744.62871075,8901891.90320312,24023898.7705754,14120363.0899149,5894017.83065913,5877764.85143913,11932403.1010963,12644552.2422845,8687823.89267848,14931552.7699577,13081134.2613909,6418590.60510543,7105227.72731937,11106365.3503769,11604833.3239184,1957263.56802499,12490375.6666589,12082329.1289329,13313734.633281,14017586.9033025,14444451.2646186,12381559.9114349,13689178.3921464,12789367.9504045,9416860.59538864,1518123.88519499,6857861.49250899,11105947.687069,6216248.84548028,13705852.9878163,13036998.8897959,14049962.4246494,13952752.0310383,13605923.5597174,14451853.197726]
["1,4-Butynediol",0.993778153846154,null,null,677.0235,85.0294265448866,"MS2",887159.366202113,1086407.71752158,1055029.17231964,1229524.06757143,1424295.37126127,386538.057500656,1444757.49599885,1077006.17000276,858545.566454628,1153696.94439509,797599.930982812,442439.109230208,950550.629093748,1248222.12377774,608519.637926477,429738.184367191,796886.430436295,719630.90008334,155086.502898432,961138.237495791,1014856.33461914,888282.462357349,1424812.54901367,932249.66739697,771615.924796233,742567.8129175,945995.007601107,115290.256875003,1306976.25974506,3010449.61272208,861229.567781254,152498.556718741,1073456.32001658,937880.441163051,966765.900306925,1481526.3698981,630615.285513163,1693243.7825601,329016.158909386,1156956.52288796,132416.787851567,802742.143005111,145837.528359379,1176386.07646496,862865.573913291,894844.993143326,1041908.81367856]
["Arsenobetaine",0.993740692307692,null,null,34.2729,179.003997598657,"MS2",2838487.73145793,3623059.24047216,17473576.2677594,13157199.9592103,3868284.6919521,2456052.22631836,3049630.89865199,8607282.10043886,7837283.10395411,5271367.68794558,8723036.70762397,4823144.90610824,4332280.842437,6744852.2166196,6260746.81191685,7523430.13686244,7888723.31047714,6820570.95177894,6218152.35606364,6781571.22773224,11451089.2822136,7565200.32967636,9038880.15006773,16647720.5877477,24275182.1649598,15885463.875626,23545444.5347739,11419638.5529687,26063374.8974561,26852492.8355568,19547223.396407,26395698.6535936,25423076.8343441,45761912.5458269,80349008.4585973,20963655.677363,5516366.71697829,17650565.1824122,16551229.8200613,22192472.7847318,29027276.9906544,31010186.241427,28478746.0810353,16472667.4114379,19689416.5381482,17983147.4810429,37743718.8323016]
["Allopurinol",0.993727846153846,null,null,57.6037,137.045324636531,"MS2",15012787.881177,10357810.4042131,15035892.078941,12661463.9028219,20092519.6700253,25728712.4946474,74063444.0108309,22087412.162513,49122859.787879,56852310.1359447,55104671.2503302,24013151.0647441,25568098.564168,17378502.9083111,43827766.4758884,34757745.1459378,58052240.2464513,16381217.4399934,13440459.0928031,18750503.8705733,14041069.0376063,8188179.71634583,13490190.6956755,246992666.268112,62843519.931527,130594775.331193,162703308.307069,1381281.16504918,44607801.5198416,158408298.566242,43934037.1776693,234285220.656603,118132005.117024,68494658.8361485,199581419.716313,50193065.7963669,19940878.7427463,118195942.626162,246147305.187867,176241019.466516,61869851.6776951,425264164.078346,61779392.9537822,78003889.4106494,189924281.147658,239661795.371168,339762982.475098]
["1-hexylamine",0.993506538461538,null,null,379.691,102.127221858972,"MS2",29137499.8392391,30543903.556722,72374392.8730001,41732403.4779238,57829036.7571427,24742946.7867223,49652989.3050767,23940487.5757502,28445250.970222,99307241.1349772,16785049.6712367,5206141.09549977,5915815.13062496,143113524.175768,27015573.496147,94122734.7183516,32542488.8871212,23681884.3547778,28404794.5201293,30352684.7372665,33066381.0977954,23477188.2833182,9961985.42249994,70872999.1993959,36614162.5774323,33553756.0342418,36956824.88225,39492333.1645835,17299640.5572667,7153460.06549994,39214066.5211219,23535758.5941109,7450941.16164994,33502031.2774075,12597306.0895208,44375843.8672656,43839381.2175293,32020703.1353654,53525722.0672777,39774580.2076101,3429768.1024998,17531201.3320469,10664312.5902858,20859873.7424687,4844003.94366645,33742600.7708333,5876470.49499996]
["1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one",0.993486538461538,null,null,607.186,138.090826275911,"MS2",3037149.88612504,31716197.930419,12319765.0434858,17655079.3470508,15429654.5628755,12902838.2876015,11347328.1870001,2064227.43266672,14316520.6354113,13874055.2562856,14734289.0694797,11287480.3905208,14948550.0929445,74618895.8551785,11498921.1992188,21694284.6937824,12605577.4118751,18036711.1095275,13843678.6619568,15243918.1948032,16802416.8094757,18853243.3774341,14572161.377866,14680863.0167647,2122457.6843751,17341165.1100416,13613017.9486343,13034026.1189028,19361745.5022196,3224212.13957135,7600554.99594531,14991853.7028728,14472928.3304625,2424731.3054249,40088494.407329,12029673.09656,20000555.5478252,13652960.0754599,10597184.1650333,14131289.4429307,1951612.63108338,19687755.1209754,14724568.157959,19458868.3553964,14556981.1358587,14485205.0614313,2906866.92782498]
["2-Pyrrolidinone",0.993404846153846,null,null,527.056,86.0595420590882,"MS2",15604485.5546385,8109382.77270774,7496005.0710293,5583840.66591231,8100157.3769447,14942464.4251042,7213876.6914468,7634029.85018369,7476190.11448942,3336886.18991674,7126798.20970481,7933828.85180518,6933136.39502187,8303214.13871906,7359605.49948692,8036126.20422414,7343399.32677587,15003479.7599777,8029994.37383012,7820304.88007995,7014959.64964841,7402831.51781668,7269711.51562061,8854851.63692456,9163049.89628383,4726492.96949142,4867284.55057994,5538527.27374758,8410067.85913259,8853677.13409607,15732863.7466172,8280271.47608765,7796834.96126781,8442302.75762739,3372543.77909373,8230295.59798961,8161751.33634527,13412138.259386,4521274.30577172,10526426.26955,9326442.66051368,9182983.14890509,3348724.26621873,7027383.34677754,7513016.90383008,914931.491333357,4890762.74857999]
["9,10-DHOME",0.993292666668587,"Wedelolactone","-4.14051534392291",361.887,313.237822257959,"metDNA",2173594.64545297,4125820.79965409,906790.778156251,985922.590293227,1377661.52515989,2246590.21935706,1055718.51644204,1184658.14338393,785613.120416663,1446322.72539375,1093581.46149107,1065141.55723147,947371.739881208,1261116.70138068,997747.439365297,1118618.50433594,1051561.78103609,2033190.86228397,3085029.57381786,1213845.91878072,3452165.20021887,1057221.40218519,1167059.77333951,2614711.97706773,824159.688672401,1846119.3339722,1801754.59354239,932833.512593956,1036333.06554687,912725.791885331,1089761.69845723,1059914.45230088,909248.889753197,930348.604327049,3331185.81000734,915829.271708472,1145026.39296238,867255.273683033,2839204.70820245,1813534.50002513,1905262.89632422,1065393.97562356,1187596.73549338,999465.103715375,1064409.92435491,993962.819528808,1212073.60832497]
["piperidine",0.993024307692308,null,null,137.0695,86.0959499088323,"MS2",4860549.15866267,3917771.04261534,2995465.28553609,6559508.30984023,3966204.71549752,4700726.00116525,9586696.26067804,3846276.17626525,28034087.4309102,3151902.50455611,7957333.44147819,7305268.84045824,6699462.52605626,5341895.5221,9274424.66053889,3567728.19290811,6533689.01245135,16517571.6757207,5764312.63748792,9087108.18479849,25651095.6735409,7153884.98605176,16645150.8626054,4869728.37901982,4667144.63240677,4376358.10670561,4517139.95229169,3747910.54294242,3670135.04266187,4377565.82321809,3679081.44393557,3957162.78034777,3670356.45416713,4454940.50172347,3567897.02354305,4108539.52568739,4251777.07046929,4507655.09854094,4732917.80372084,4459269.85266733,4719887.36415004,3519357.310038,4123248.21110692,3936410.96935539,3875828.0320527,3520540.0546497,3651697.66875281]
["PC(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z))",0.992819384615385,null,null,470.081,834.595746597304,"MS2",14760348.7138816,5841375.70730928,4730975.36278281,5119604.68491737,6627308.62074442,37745963.1570313,1447195.28931249,5762438.63042518,9167456.93381802,6027666.30074912,5130669.04232055,15104786.9773711,36531617.8357008,7343572.14470983,6108825.19839621,5202580.47042326,5883508.81054995,43393075.634986,40313837.6229999,5926603.39599731,25968847.3699531,6524440.86701453,6743145.54053891,37414102.8924137,30826292.162625,6745423.81412498,7215414.93367388,5907008.40503722,5303493.60980318,7964354.03143384,5753820.59313488,8051737.23394575,6564572.91766797,10368281.3034276,5740062.31668989,7320273.07152338,6820383.24398844,7389098.327196,33578798.1183089,12663068.5513125,41509020.8284467,5112226.90439605,10224911.7782121,5618891.85386082,5826163.52567439,4143460.88176875,5374889.29816824]
["Lys Ser Leu",0.992653230769231,null,null,291.084,347.228587634885,"MS2",3537179.92120087,9636059.36186371,5421112.41290828,4895636.87527264,5519546.10595757,2278982.4150485,5491094.10921824,3751559.74269973,927382.076338236,2097658.80639648,2016303.67376354,4363904.85181875,3146711.29173366,4949087.94792942,3674195.11467969,2922933.35939893,2285213.24680592,0,2009160.04161057,5224453.5027578,1123904.72604057,4329174.6822474,1022444.61949687,3864741.21308217,3634484.83349545,2173111.72236581,1807961.15337351,2905041.70754468,3134047.78281652,3441355.5826778,4064510.57839012,4307700.54177795,4952459.68487211,4776004.80569279,4698496.23110255,6276313.58897373,2302416.19500755,4307834.28227131,6866060.32538124,2134252.94152916,3978241.85068202,1903093.22535291,9391144.00607055,3155282.67299525,5040566.13653479,3717847.14097279,5976438.69493823]
["4-Amino-4-deoxychorismate",0.99264912,null,null,151.358,277.059213128259,"metDNA",12187.1460727149,19889.7157936657,201482.553279708,191101.439986739,160937.487588382,74626.1960686653,1805943.4008022,835325.981517857,303880.727604338,297824.044745118,772444.615808069,1382725.36427371,415579.354760741,882428.647990351,266880.094580389,202579.2160663,109126.560933035,567734.868883927,2580051.00521859,2196066.1341277,656694.134760655,1715533.69507513,481534.211571542,10590.5428031987,476276.422608507,220354.691050633,258726.095236106,9175.00555452575,622524.112447078,881119.223003546,56106.169392583,887876.981758929,170783.515277995,114053.374660464,2098236.03038652,792253.120982143,57053.9935620583,72718.7450431639,273392.660141016,1048469.36727263,423171.352186651,3038888.44529831,1163783.5790502,731021.171376788,1798579.04959971,740841.043054851,1163174.00630127]
["Palmitic amide",0.992379615384615,null,null,659.0835,256.262563948907,"MS2",19585285.8420559,27717571.886058,22235716.355107,31774581.5813133,28020206.757553,2567582.53312504,11603941.5181876,37490258.6871813,27446551.1606185,30843839.3691163,33073843.039599,21678430.3483705,18502945.2783194,28638785.3054991,33994867.1134289,32923449.8090844,19621402.7180872,22934894.9213988,19551111.8307728,31257683.288571,19370836.6388019,33779569.4664198,30669416.401872,16205623.18363,17130130.2414901,20000552.4419064,17115484.7447101,29896174.6760179,34884495.1424249,23507678.4196505,31021541.0644684,24901640.5216977,29503375.3886717,21251071.322136,33300906.3091387,22896521.5257874,17054055.6197143,26371508.8682882,26853484.1690027,18292113.4014232,6679466.91315923,34090428.8493213,25072017.7145081,31688595.2253291,29228143.7422725,30118036.1750409,29560458.459718]
["Guanosine 3'-phosphate",0.992291923076923,null,null,57.99495,364.063212577705,"MS2",0,0,0,0,0,0,27186.4568585892,0,133818.817424098,398865.615913045,1123154.52756484,25544.2553502675,4682569.57885757,27107.0960469105,821483.841871673,552014.686287797,291168.12204746,1742249.74997252,1129306.33628871,1364394.29134821,793783.302998891,118757.183966787,1067977.75671056,3423117.91571659,4321887.34632268,1111957.86235757,4574249.114363,527363.696106771,5785813.41208257,2469770.58036118,5908013.95383738,4160521.59453997,961286.008875186,4441051.85216856,16592576.6296473,5137444.35084358,811526.101195276,2703885.99981784,1244920.91408146,6837684.90042764,2215905.62842239,5369452.32403255,5707184.47696458,3187898.03303084,4189653.76313203,3679309.17912753,5150391.02996607]
["Vigabatrin",0.992291,null,null,56.6282,130.08578769132,"MS2",6435472.64079938,5380385.48628915,6738174.19775272,6339484.03713729,6349306.58888297,6034253.66494346,8356196.70938859,14343193.3160267,10967052.6676084,7532886.47279459,10215034.0397719,8892692.92078404,18487469.8847833,12704277.2622762,8941048.18672417,6933732.1559682,11360645.3708297,9607929.71705396,10809074.7089807,11106181.9667594,18397339.8778025,8942565.21640267,11868419.530525,44844746.0610477,41631714.1512079,35653016.2620942,28866727.47795,10842720.9182358,15349686.478904,34586549.8859664,17203877.0505614,25728895.10475,30400805.5249432,18756122.0103609,25725645.2089542,15963230.2401426,19481975.9311657,26578873.2113344,32914812.2069989,25567927.8333417,15058930.8299229,26202327.7271192,16846699.3962606,12665561.710713,29007347.4580589,18908906.2985067,23313462.5161148]
["PC(20:5(5Z,8Z,11Z,14Z,17Z)/14:0)",0.992164538461538,null,null,469.223,752.517832367439,"MS2",5880605.73910846,8470743.42807683,2651997.96201241,10308134.2264965,7865019.74058396,8218252.88278585,2599937.02221544,2691707.87967364,9849994.89267857,2006245.84700877,2576051.02995508,16559935.7153888,3439383.67694453,4850748.84770535,4802404.37032285,22020579.188473,6556414.88317853,6335668.05603202,5472827.19121979,8193475.91147436,9786861.73848472,4992037.79855926,11179858.3847703,6644336.78698963,2444882.75452695,6159707.30162499,753847.370157174,7069224.80257993,10752467.2125929,7195073.07686017,3027627.91234822,4028415.9788822,2955402.12962974,8136093.43200944,1184666.31593749,1578717.95138755,6957078.40148674,1504680.74954732,4513478.04047407,3956299.93490324,4778263.97523674,3895681.27464703,5924728.3191749,8045075.17929117,3168210.55511747,22105420.4911867,2973277.70202101]
["dodecanamide",0.992111153846154,null,null,404.736,200.200046959525,"MS2",75960397.5834909,77348177.1604288,95610926.4685717,81503588.9715241,110141970.066452,86490251.8658001,72094814.6657145,104456235.997285,78693013.5550383,80438544.8089709,91209835.7234998,82041966.2049908,81675500.0496138,69351511.3792453,81066642.3951426,82650945.1974878,104125095.455457,91319940.552195,99483513.8729495,84099803.9393573,72349907.2856824,91658248.6711736,98103115.8064288,86959057.8597907,85825622.3175002,74722423.2634287,98482146.1733574,87288031.388218,111568514.20469,82203309.4544998,79165892.5450716,72352338.9855267,83895415.3343827,71753582.2711511,80891769.5820002,65738218.6718376,118696130.800084,108433903.638535,122325885.563143,67686243.8671005,91850565.8820735,118439773.285709,82972702.2484284,93299097.4831403,78203145.994613,69454894.4332479,73766081.9275716]
["3Z,6Z,9Z,11E-Eicosatetraene",0.991963461538462,null,null,540.49,275.271815875018,"MS2",9237285.28649778,8375199.22948212,9116267.75634531,11331361.8692332,14120634.757806,9960026.64124228,9950455.19789413,13792926.107936,9980352.00787903,12098738.533038,12051468.5699308,11049721.9198038,9681249.38260997,11902857.6701298,11551277.4637009,11249123.3152758,12448457.3555614,11383967.1851313,11637493.8793087,10769317.1808618,8946576.43373999,12524086.4890433,12643718.0046008,11613482.2793011,10347515.5393898,11792617.8070514,9513485.28012544,12923185.2655658,13314156.2861705,12489182.5978696,11730712.9928994,10303732.9323395,12866106.7728894,10092095.1795601,12222473.8268677,10067162.1231142,13570601.8302747,13508536.6950037,12037967.1832982,11040605.9651296,12365379.5797076,15708840.7508295,11555046.4132733,11650785.3733774,11667347.66855,11402980.7254641,9043950.44515721]
["Tetradecanoic acid",0.991693206999999,"Endalin","15.0166118024431",468.263,228.204465332063,"metDNA",42106489.3995276,64998369.480439,49050463.5254478,73592519.5934439,54627346.1669527,52458550.5700132,539434669.318314,85016051.7863622,425391774.024042,125248814.240372,607338578.10416,285832617.006682,138561927.318235,426148327.007395,644298999.586771,299900607.853398,777953718.079563,212239948.302575,144100173.124603,102441411.8655,366939854.758285,313855562.730241,125180493.761122,47642151.1052466,44835915.6284416,43512060.7705972,43117259.6814705,46492595.3576163,45725895.1735202,39623448.3029964,60581250.7516947,44251382.4720764,39220328.2842861,62483069.4049776,68361590.0974722,36386818.06898,45723488.8908338,40138484.1994098,49419023.3000028,46219229.0991484,46734097.4852599,43352891.3898514,61104314.9234517,44884065.3170348,51212916.3325311,59024660.1556641,49225350.6063611]
["Dodecanoic acid",0.991631047,"3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanine","3.75731912091671",413.9375,200.173379297085,"metDNA",10856844.4234018,22175384.3911206,11766817.7540759,15926427.7171071,15917996.2447768,9892926.35495273,19354916.2626161,13520083.7646301,15537863.6456485,12228266.0780053,12622223.9603572,13730663.9277322,13887618.4089291,17086993.8181784,18636205.6948326,14241026.4050089,15007706.2039426,12876903.2326879,13276585.6632449,12092955.5606785,20470179.5679059,13094636.009384,11759617.3197053,11575075.9593932,13525706.3360074,13395662.9245447,12155174.2425945,9985177.53883926,12513687.2190935,12047397.119328,13187600.693844,17060570.3217858,9230917.1692098,16024791.4232947,19783865.6348358,8107680.22342842,15430826.8457408,12408583.6701782,15479234.5452991,14675915.5825486,16299797.4582521,13705592.1641574,15380358.3453517,15917497.09875,12314476.5808364,28696875.204147,14831126.7394128]
["4-Vinylcyclohexene",0.991447307692308,null,null,464.178,109.100688605403,"MS2",24879442.9683288,28399179.2331225,21503073.929331,55045660.810434,52607170.8090629,30007684.200489,37926731.6596165,28578431.4559879,32428583.3650054,22164411.1140214,22288788.042909,20611635.41872,28560717.3172695,29979021.079541,37940787.78058,38927900.2184942,27499001.9222188,19798840.3393371,21865765.9926409,76573081.5013082,25698215.8937697,35454928.7457802,25185856.8366983,39614845.0458696,39870236.1648324,19646641.49986,31727839.1605957,23789888.4902984,21862567.6227422,37677944.6800338,42802659.2781119,35554737.5609104,20690817.5528746,19240497.4529042,38730570.3459548,25483513.0782863,20753086.4595527,21872184.53079,31202542.5194263,19188822.7788018,40161637.7703013,19346307.8371073,84415193.7341321,19371495.2133221,36953369.0336532,21326525.8634002,29396516.1363497]
["Leu Arg Val Glu",0.991374769230769,null,null,396.01,514.298693112969,"MS2",15713.3085107406,39944.6346688797,2812634.51722746,3037449.45266518,4056.75898690224,0,1008180.42616211,616263.792600542,459729.153166423,4858362.36380038,3491869.17470703,68611.2291011612,74964.5610836295,143199.903270807,319756.404035051,42315.8576107144,319931.578687499,4122.83178107838,35694.2792643497,116998.092552014,613001.11327232,450182.889724186,463088.639746843,672842.568133974,61613.5456901769,107912.669736526,2209530.12994776,261590.23573649,12707437.3552014,4721.01641302109,104218.765405274,9696768.51377248,578663.161078777,25933003.0294234,108963541.415568,4426000.85471163,224060.346743303,138048.048502231,20439.7930576295,13207283.1878468,1343503.43745968,124275.338415431,4293711.77965997,7120139.41881847,6213419.50618554,4511921.98775301,139837.210331456]
["Valsartan acid",0.991360692307692,null,null,191.4895,265.0747474041,"MS2",4387464.3851875,5536834.21307565,19675156.0624312,20210805.6890603,19792930.1798328,6016986.79742893,16038161.0983903,23420982.4771747,58962960.9692567,23461044.2995291,21795645.8003778,23072977.3505325,100198989.015106,21240087.1622134,25494307.8358139,9555350.04920655,18276867.7278482,253345271.57,94048059.6140761,157627930.213754,157666933.183072,39439274.229008,93650993.183152,4159660.41975601,11562437.0813506,16407643.3369764,9764075.7669375,3089089.80646729,12080912.8799565,19203924.3573582,3008288.84570703,8439899.30984376,26882179.7525932,7800328.76667571,13411354.0177841,3610198.85684862,5096560.86560641,18284213.8607143,2135700.54889491,8500173.08373112,9390654.52469461,14531473.4251659,10477292.4217917,2636450.51616149,12336562.33342,4954473.24770889,6478483.69705394]
["Phosphoric acid",0.991257615384615,null,null,677.5755,96.9695363284449,"MS2",4028809.66964932,2222190.08582444,1463924.49894141,3214085.246099,11386429.9416197,4031935.08477084,2749933.59662904,2867575.81921876,1531294.84915313,3616383.40386017,2208790.64213389,5407613.8616719,1088817.5478501,10948964.1624411,2095702.3187578,3873441.67321289,137394.316296875,4236389.14413868,40367806.1732161,2472471.81257137,799667.983883528,1592911.67808691,2931074.69311808,2403481.83496651,4441311.8396077,5446973.02330761,932570.947515633,4798865.01440093,108842.6883789,6444145.05455006,1781218.06168605,32130392.3914882,1914183.60566175,6221719.16500666,28845672.1934918,29442448.1080528,939847.776341712,7531958.11836136,1601248.37948737,2967669.93856367,6493043.69533555,6381529.17735935,1738229.36291134,1091452.82750871,2409220.52014167,6412722.66273449,5131568.38553906]
["6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one",0.991189692307692,null,null,403.382,263.235683815347,"MS2",5336229.46829457,7259025.5422336,7187925.2612143,7720835.11275642,10032340.5141518,17297648.8320536,14444786.8910893,9725288.24061931,7629014.25221327,8797937.16582985,19745575.7647709,10350719.425126,17366232.1867063,20654856.1983214,8179267.09769751,6852118.19561329,9756961.00135717,19437679.7743537,21325758.4712258,19156744.3731293,16570537.2042885,7773581.23990786,26831930.1496071,18333736.8403851,20587729.8220908,6035437.33303866,7764942.67622289,6319866.26365503,8237503.39936677,7487511.2675188,5881611.34928889,5188507.13619644,18322615.2447283,15066417.5099709,17411393.4711046,13255348.7139066,7741862.9289375,21904112.6293078,30474560.9727145,15096242.4114405,20481374.2625601,18993458.8328944,5596250.77565701,6855789.09303124,17324856.3520427,5622839.43301784,6123290.93582144]
["Linoleate",0.991087560999999,null,null,492.3665,280.235796674101,"metDNA",10424530.4770339,9783284.96789617,15589943.9488566,27996497.7653638,9905444.47285716,11111297.582405,178513395.220113,28901559.6100527,155581184.66626,80153189.2537691,220953242.689058,96844552.0051094,63998926.3909481,166630686.926245,233653883.915942,112677858.24068,227662857.879803,79662762.2773602,40384594.3670848,35185561.6660163,111811925.106407,87574540.5657256,39260570.3804139,10410425.8900498,13577250.7893654,12783648.1567266,14302842.5004514,9972562.88680858,9095545.85972407,8588090.60973625,12960132.8261786,15625213.2816475,18944041.0604297,12668414.9176266,12362114.7459643,11015085.8729411,7844512.99598243,8959765.58935715,12257141.2011686,16116624.5516927,13649924.9794074,14041076.0448214,19720605.0006767,11375441.4853008,12418343.0433205,34256125.7841881,9444388.132194]
["5-Hydroxyferulic acid methyl ester",0.991021866999999,null,null,197.653,210.048559292203,"metDNA",1688935.12359961,1710443.65548551,1675989.20666368,1711119.29012818,1733448.09298828,1698477.27834782,1620189.69404557,1679000.62121311,1449789.28397824,1646166.2042998,1571930.89471558,1635051.59846875,1527107.93613525,1583093.54025234,1542819.86772374,1677646.28072534,1555161.90716081,1295295.02021979,1608228.01858008,1538738.77131295,1382331.62603675,1578187.78224704,1327533.87353795,1681398.55147092,1652721.96664443,1686484.48647982,1660768.16496398,1674704.44460196,1722339.3716938,1706761.28598791,1800927.08074762,1742869.44417857,1749976.90938314,1683136.33991518,1747437.40270899,1746463.53734147,1743693.82872851,1683281.43091195,1709808.30014274,1674295.99951622,1708699.16232856,1745647.51267676,1756962.23464485,1686382.75251116,1761907.04067857,1708347.0811454,1704251.45018555]
["BIFONAZOLE",0.990856769230769,null,null,293.106,309.137269122319,"MS2",1131258.40218695,6592396.48415604,57329923.4723908,23844495.9665379,58778565.0872902,4528149.55369588,1002806150.09346,143482592.907905,1862840662.50055,780965296.997271,209048592.276561,614782424.814247,359615949.228798,460077185.309539,544707235.536788,724451846.271103,571440100.834308,1273412586.29098,214555446.367473,174821546.755123,2256447021.53574,915416543.835321,987184814.894296,4937215.7607233,113631131.784692,14780073.7254586,6746317.94282754,19385580.5903635,33167050.509407,527687892.447413,7022733.7388812,40926327.9051186,109517348.380619,14165888.6199267,83856121.0269666,32992611.36351,2767199.12822635,22454031.9575098,3829565.52600022,12775805.9849378,59887898.4034317,46579584.3041838,35147157.3893606,5632556.87662582,93509505.84905,33053356.548632,52584452.7917169]
["Nicotinic acid",0.990797307692308,null,null,25.7596,124.039153064755,"MS2",12603019.7805909,11797458.5799756,12353968.1902275,15777990.3958393,13893086.5870439,7197897.109525,14479615.6324013,13489169.0787616,19773864.1074691,18827967.8363889,20266464.5391765,9825340.22019643,20090550.529687,16277967.2389034,15649841.2482846,13488541.8713036,15336200.2663485,19729824.5881724,21436799.7180777,20286369.3605625,17080727.5065288,18895432.8106607,25702759.6540889,16339708.8892486,11888007.0848036,12831835.0141539,14638689.640156,14745515.7700848,17891555.6818478,14704463.0000578,13091907.6561547,10986291.0129881,16511650.0763475,9751923.81083685,11345535.5035982,11167798.4970268,14523765.6609071,15280977.5037206,14490610.6029336,11633585.4068019,11957363.0058362,12273763.6597175,13457925.2259145,14579482.3352772,14770160.9858645,13670282.4995284,11136215.9323454]
["NIPECOTIC ACID",0.990697692307692,null,null,27.2762,130.085740305708,"MS2",5119970.3897124,4051511.35622551,3903411.20322953,5941836.35606634,5913590.50409072,3577324.64175786,3870218.23895408,20695646.0385786,4700902.54335389,4739785.99306985,8911557.49629872,11754110.3642363,28053273.6430593,5915654.52858846,15465844.2198758,5978036.70364314,2877212.17867891,36662526.3668085,25038513.6342408,20155442.4818394,48857985.5832813,26270975.457758,36967968.4338201,46902794.9069436,21322680.3735751,20718529.6965342,16557721.0072476,11513251.6126361,19577237.0754116,40237727.1004741,21780928.5051998,24607368.5927047,57049224.1934172,33292793.6485978,27974653.0496013,9979383.63196562,25948460.034344,70987692.003732,17074387.9659457,16122450.0777397,14475209.331673,26959880.6717523,15619868.6984383,17347728.5328997,19548184.7640675,49528998.4955829,30024202.9838405]
["Palmitoyl thio-PC",0.990659307692308,null,null,457.488,750.537943910549,"MS2",4219588.40923948,7195069.32163913,6623001.17214009,5292658.44325129,4336725.47458507,363049.57740072,5417005.72898082,6167184.72453196,4269412.40787627,4294565.31825233,5251525.17274909,5245581.11419809,217188.881966389,5234856.25826125,7880375.81797209,6065658.98456117,267339.206640976,134289.485973011,306138.223792976,4915951.39490024,1046887.3080709,10440465.4430278,4301902.87172251,224667.928880924,328572.675803499,5947138.70599513,9025373.51329311,3394132.24681249,7088672.77794446,7453064.80907144,7524535.64248779,4040849.25620898,9989954.48819698,6782831.37059213,5305227.66958595,5344150.84073067,8035471.83362826,5739817.21433192,191292.166840181,8294868.35146877,292356.761359226,6755880.7229516,5692147.51652042,3799554.79215109,6836090.14034479,5177244.91384363,18677604.9507911]
["N-octanoyl-L-Homoserine lactone",0.990511538461538,null,null,298.181,262.119568000406,"MS2",0,689885.41383459,22391694.3839602,30023012.8187854,10805179.6492509,87480.5724265321,262343097.866261,5299056.67857207,248922108.409153,336929173.669207,53030220.2838698,124016052.093096,122516298.372596,99812098.0799996,107803932.826154,79868390.7721113,122873079.272869,578718038.928338,76882938.4991318,51271759.849,302003333.345266,115342159.928058,120155925.292432,208533.089229912,11676671.9488368,2006043.94516216,4421116.71894353,2774112.85070881,2669959.70630807,46265573.1019407,731894.982213267,2673567.60810491,11381793.2392331,2673465.28015337,11991366.330671,7897910.20458674,336732.511164273,1430403.64577704,304220.491508622,1882694.76416078,20826110.2181731,9535323.08147599,7582124.44209374,1208057.1213739,9024761.87267761,3418412.58733333,2136484.83077202]
["Arginine",0.990458307692308,null,null,29.4917,175.118294637841,"MS2",1570356.33388905,1015651.22472321,2945523.76712985,3924037.57372083,1389442.98927879,1161358.63532476,60149525.4511731,128170776.977001,71125110.7807928,60926267.5407093,114666101.203554,61080388.9210116,262895891.637336,118061305.268378,185455370.481163,53619392.591503,55722954.290584,418943688.814963,207916242.147214,178695133.252315,523371351.150179,221843253.325596,514338849.374049,13530651.153877,20635781.3518551,32732177.6007635,19913066.8760215,7329018.35025762,20865242.7432661,15712324.4330375,36058128.6945489,27234763.5732375,7022431.83908145,73895950.496932,49714429.4036979,16767173.8736365,8528697.58972406,15346289.2121859,28327233.3955264,33304975.85087,16593395.6495583,45149623.7650563,27996516.2549612,34914040.1603377,38044504.7109399,21551044.6797771,29292348.829386]
["2,3-dinor-8-iso-PGF2a",0.990246846153846,null,null,354.908,325.200936546545,"MS2",214810.023737351,123081380.160089,465771.339176168,2125489.58871266,206402.429003907,243738.932203614,15482700.1433471,936378.694260855,2765853.40596581,12716910.4199636,13380679.4465573,2704292.68480249,1652183.0325,6083908.00078126,2144365.40905757,177369.44236328,16149934.4246424,2195878.87613636,122669.392770311,186001.015688966,2500420.98216325,252155.963973094,2722119.61299106,10673458.7390146,11558669.3323631,136744.556962888,11826595.8247448,12354973.0751953,159547.923308592,13944862.0775043,15824407.9632102,22320620.5026425,168202.442845931,117577.037797742,37112587.0072852,114101.710158559,21717787.5800476,10230136.279781,14399671.711551,6859301.56655587,174697.031089287,11723681.9820299,13866976.3126428,153222.2694566,10754023.0459315,15633035.3377304,19779140.8601314]
["PC(O-14:1(1E)/0:0)",0.990218,null,null,446.5245,452.311122995328,"MS2",719484.545995158,723504.306069016,3266606.44501023,11918477.5246916,2112986.16710143,870281.253362521,165191732.610061,22885168.008747,86039873.9298186,285881893.897646,216249208.30095,45251082.7685428,70364951.1136861,71464756.8434406,88907162.8849525,61500604.8531167,115072823.808883,76242419.3602245,13273072.0513434,21979240.6238848,60920885.0654675,24572420.1962013,45526981.8160512,4428319.00356555,51432792.6010513,18733402.9726391,8923462.18324218,2720976.04275921,7295992.17862539,8037086.73196582,14598021.2086965,22274016.272918,22557142.3875841,9208369.48580208,9376264.62909768,7543898.39932851,1823278.64665473,7762685.1319069,9066915.86937082,8859101.73434909,14365988.4163515,10472559.988447,10901399.8433634,11342595.2149895,12893800.9231668,7792164.76695956,9114567.33877656]
["N,2,3-Trimethyl-2-(1-methylethyl)butanamide",0.990064230769231,null,null,353.266,172.168849754647,"MS2",58672518.2563321,47036960.6326571,73592780.3660902,60925276.0061663,83050900.6945391,66015938.2647617,58726742.1328009,75647255.6097944,56817857.2560702,74858367.3673321,64735996.3077226,65036385.427143,61759257.6496639,44257076.9618332,65894546.7217052,71298037.8191616,92037482.5020368,88559366.6722295,90827103.7468355,52607358.1160584,59372409.4390854,78703893.3681823,88715299.8696949,71781445.5388674,71352078.8715699,59978730.5517629,74243561.700666,71021893.1585122,98832239.4787731,60839017.6398303,67041180.149003,46415964.9904301,71445269.823561,57437845.1986942,63492684.2941814,56083646.8590637,95582831.0995539,99120083.2236372,108246163.883414,53501628.1744095,63427567.9550988,96408477.3027954,59251079.1399756,72296107.9332473,55349813.307039,44901326.1384886,56896577.5751835]
["2-Methylpropan-2-ol",0.989999230769231,null,null,717.3085,75.0800389987509,"MS2",6370562.97889676,2986829.56928574,2744580.55885155,2738566.91109373,2179898.72449038,2806042.11599677,6881335.91869752,33912258.4587619,3602022.49107062,3325062.14893258,1622944.11734365,613570.583368745,954729.780312516,899584.974262553,2071332.52628766,1567635.47049999,2568457.62579428,2830757.98330273,443384.096367161,1702599.36367496,2940703.15511591,6015165.81752317,5235512.02883525,441562.500781271,1785539.25983142,2726128.15682031,516771.319166665,1201552.49086249,1433121.10812499,2647402.00271166,1584346.27014999,5673757.24098266,10959527.7912483,5857447.50180369,6120186.17785725,4985210.21978572,6353689.13095952,564090.750390651,5180954.59771675,1851697.71182355,2334521.73942187,1319084.76822499,4383434.21207078,1110012.16199999,6485459.98835661,10477560.737179,974048.402031296]
["Gly-Leu",0.989986307692308,null,null,159.357,189.122614197706,"MS2",404669.952581313,535489.995232793,8062670.23401733,6315846.75575405,1975239.46976344,1586196.84155917,11316322.1397136,11413925.3229479,6911914.47923844,7412895.1113199,23431366.0283245,5535497.1829679,28530021.6143468,14960984.2994252,15221561.329353,2522160.9345257,6815544.3842296,7121584.46421184,14999019.0561307,14457052.9220486,6858288.43212187,14442636.5802907,10331527.6808738,302635.78186458,19855863.1784424,420674.020232144,2092342.97296897,508193.02372476,608910.300462453,1084272.13084354,11167022.165875,381365.96441392,1120966.62408482,348495.426076857,609423.73631072,1845020.53928085,776281.756130043,3257359.66864333,2118709.99854635,393516.478089162,4715952.85107117,407826.085739028,3216155.37874286,2296356.30333714,1140056.47530682,456953.782152738,544612.897344611]
["20alpha-Hydroxy-4-pregnen-3-one",0.989716533334149,null,null,376.228,353.188241329553,"metDNA",325236.049680274,2130692.05108285,322367.691379547,471071.495089086,462352.918047234,191878.511814579,1601775.31864989,166727.755700806,531921.053712054,168568.303121338,242717.381909685,467425.177389965,910683.044528126,417082.33529608,491339.918097478,255833.797813151,528587.014759226,1700163.09820878,380779.715431124,425494.543238839,1087609.00938713,588829.921878574,558556.714891535,249525.038659185,784806.49304418,306667.973539084,336582.603948697,379430.303453889,399518.625021478,331924.049030475,89240.755878125,500471.953619467,590150.84025441,339000.38466026,1437335.5278964,256310.837982133,463769.1954105,328250.190207496,141466.765642578,121977.417185444,371281.741754338,139073.615791016,367767.83723703,473747.56837368,328501.67733944,333283.758362467,505567.320059881]
["D-Glu",0.989691076923077,null,null,28.01435,146.045697489831,"MS2",923986.794362985,1939520.24411288,8905880.08422209,8539592.29358203,4552858.25286427,5255724.66164456,37291055.4257303,32797927.223899,69018380.8096958,24898128.297111,42744279.1756848,29263919.8983355,13818704.5613485,18935472.9734766,22822332.8872493,12465227.1516309,28987682.7207511,12702657.0715403,11521629.1116782,11232035.0015531,19872141.6825548,11068131.1088421,8411822.88995414,90045536.2154173,241032517.151697,172538105.201183,146247471.250507,33111064.2502328,77300978.7673135,156759951.096312,168716816.712711,181513376.919188,75539325.8323518,340987519.779065,291982486.79918,105124587.66609,16015534.3405595,82847974.4570448,108684974.345074,176347665.283092,110818999.223792,247376191.203797,115875036.107497,79313453.3930333,145565547.180145,111029004.980656,203581502.233119]
["para-Cresidine",0.989679153846154,null,null,558.1135,138.090824857594,"MS2",16251429.636667,8407413.81658935,16743062.4978412,10101688.9851336,8813405.55730184,12595257.6329826,20111335.515363,25682664.6222998,26133632.6436171,10535035.9727083,9714258.36530169,26924917.3969859,10983862.9078125,890064.921249947,12242372.1063243,9105307.26863146,38866506.3079688,13612705.7208334,25613589.9357343,11106189.3562082,10586455.5497768,8905131.03223998,9446816.31095321,17620257.1411773,8205768.87520034,8674297.63234993,5656318.96449636,2648596.45885724,9338241.06964816,21596516.8491884,1454698.57725004,25313566.1491197,9394774.17447921,10660483.9768142,10628793.5038235,8974010.06494679,15992166.6341699,19612953.6498671,23719117.8555761,8991214.06187703,14832919.6103913,11778018.6393024,2013442.03068748,1259182.57689583,18844400.774644,8260110.60409504,7914416.26799545]
["2,6-Dimethylpyridine",0.989659923076923,null,null,162.8725,108.080292699378,"MS2",10180895.25375,10088219.2219693,12024415.3820897,11703039.2248043,9819173.50925409,8618563.1037861,8306637.49720982,11503306.2070096,9934815.96069202,8434459.53898436,4471252.73363146,10977547.787964,5307590.05091734,11282047.3586085,10462390.7298669,11123684.0742872,3531998.61618329,6586056.86161008,9333277.09499265,8956697.44738524,7518034.64125848,8167575.24818114,7773406.14850726,8635487.15653585,9729659.71276663,7911696.96936989,9749440.16780223,11157755.3081073,12307456.9616715,7490084.52214286,8883654.48545711,10799465.0094933,10855353.0404446,4332122.496,6901218.09966238,10300466.9640578,9750829.47137784,5703624.62017435,10846146.265935,9829985.7303717,14151236.6631151,9129448.20270637,9917674.89615167,17391516.7325194,9759594.81542762,4893934.40807143,11276612.9605231]
["Decanoic acid",0.989589076923077,null,null,651.805,171.138818386293,"MS2",8775969.82057708,11580695.99,26743000.663181,29738422.4269882,11419681.2626984,20788027.6579805,17772352.536612,48626800.5190405,46973828.2187386,49208690.7835192,28102246.0874135,31924427.086812,30575989.7335852,29033884.0557476,34169836.9190992,59316067.5454638,29622613.055714,25627863.8683422,18202673.7899088,37932384.5580145,12987468.4139442,51820066.3405627,35339368.2854844,9955331.88795775,21136957.7274089,5154482.356409,24673666.1334992,43713196.607673,31666908.9056713,21422888.0156056,52379066.7061415,40283444.6020557,53072075.160615,20629042.004593,38911028.4562452,36458046.4981111,27470347.3558557,25793656.5778947,16289509.8475043,20689200.7092838,28729402.9798765,36011813.9993066,38749643.684482,27698470.0095857,13514339.8503227,46068590.1269814,43298106.8301572]
["Miserotoxin",0.989482692307692,null,null,131.7655,268.102714727313,"MS2",53205375.846875,60966558.7961859,218585512.163571,268071567.726857,104995561.076542,36250875.5382686,120324734.255889,375006371.390638,156027491.516774,174061498.557712,292433521.230798,67494641.6822467,202311918.498816,115475397.312851,155102483.2765,95911762.9451344,139515214.988718,109404178.584718,36456649.0340257,67798450.3491247,45508075.1372322,73379065.0754266,38459723.3844489,731846733.122354,436941143.116865,997554684.547141,509142283.982053,62255588.1883653,303871746.816439,603403933.258286,206482870.309869,436221134.898707,898275748.192544,326471284.991425,805362312.089329,339539385.509882,192208463.250794,582475649.579477,286073759.7396,419825779.372049,234662818.227395,304690694.60915,273848384.8359,261353786.229695,944669306.635947,528921706.266782,601565098.278857]
["PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)",0.989421538461538,null,null,393.7045,780.549140228791,"MS2",6357443.14583336,15795306.3224687,12427812.1528478,40336540.975867,14049441.6277149,1335366.82516661,16579679.3665937,6193046.65656587,38607388.4843081,13034042.4664445,22225326.1007143,14686464.8704632,0,7085217.44660222,16934466.4680743,22713930.1851429,2862696.25497007,2795940.29476395,3579233.92562049,15050916.408794,29431060.3811405,17715028.7271685,16828516.7563344,3152752.4156456,8607441.72234112,12836826.4092592,9674803.22295845,6037544.00586206,8923999.73983453,4503332.40723235,11386619.7023986,11930224.0510941,13709222.4153125,4642647.92594147,6965377.93723555,7780379.86543922,4548832.09477731,4971180.46877452,3052142.50432809,18451483.5466604,3110202.11948242,8141895.71280479,4273083.5080875,15536692.0902884,13910033.2924071,8630727.85528024,9350751.82955313]
["11-HETE",0.989326692307692,null,null,398.1275,319.227243560899,"MS2",598154.43693161,908576.161011035,1503275.73668474,3376971.96055573,2244582.24408513,641366.007271375,3964389.92985938,17216137.121375,12718862.560168,28179654.0567812,18661020.3292452,9236872.08801313,25524534.8328215,17816471.2374824,18358964.2017322,10951295.7727214,20888003.0050715,43159524.741912,2384452.61750892,25470386.413686,39245745.1414478,9097980.68828629,23858272.8146165,3796191.1758709,26598169.5501053,7636848.0718754,2800100.6602484,454085.233314772,1318170.53011819,4979103.17922164,5631243.02309152,21264551.1778684,20877566.5118876,1285377.04046013,1271178.75379469,5024212.28712426,938797.297885694,4518031.93977625,11970163.6361295,7501570.83258336,1951731.25217521,9216339.97437269,2860239.86728124,1371198.46187381,6640969.25163941,3409736.39688616,4300771.02143917]
["1-phenyl-3-(pyridin-2-yl)urea",0.989305538461538,null,null,250.353,212.084063083424,"MS2",2488.11948540754,21352.8161453268,3333167.62050594,9197803.3455111,5089457.56246038,10364.6424028564,1116949.87614379,1115115.96650391,53003049.3302143,26116817.3871428,7996780.65795382,452732.949934374,20363017.9728319,15162123.2136406,21800738.2399536,7266592.36938113,590853.757152574,76295736.5725361,38334604.8294426,23825409.8416748,34289175.6823982,29442948.845143,27912163.617,470378.517840623,6520096.57428536,1145413.33847357,4613287.01424005,2525233.91182786,2857190.245316,1337083.58557186,1903652.18563733,2147206.83196583,14430335.0249433,5058994.08738461,10607128.705575,2273681.49046295,241343.802637739,2854688.59275525,1014902.22204017,1555970.66741557,24822668.0360081,9239630.3825062,6571780.90372609,1023844.20713298,3827843.37405982,1890778.11380923,1449407.86312814]
["D-Lactic acid",0.989201846153846,null,null,404.2915,89.0243374781279,"MS2",7508237.81106011,5586598.51546951,11329409.4187613,9699341.48209953,11895442.6415245,1836634.46479167,11591323.8770526,10341794.4490342,12107901.6834344,11906187.4929557,10505350.8467527,11531286.9056797,11634795.8187569,11565805.057948,10596559.2176674,10759707.7599767,13676787.0464325,13715214.8524544,13790706.8181532,10369807.9905776,11658144.9381428,11254440.098662,12099335.602162,12707814.9598068,11114988.9730363,8641789.52019933,1545732.120625,10732128.3486256,4636070.03654505,11170723.3466983,3355002.72432066,11834290.9945229,10503597.7253587,381709.283828102,10493081.0395456,12464080.430663,5434913.89027744,2910302.63109249,6914240.64128571,11216790.3133737,12639216.031049,9917662.48556344,11263425.0077371,3489977.22645249,11176320.3549342,10053136.6713487,10908075.459424]
["L-Methionine S-oxide",0.988884076923077,null,null,45.8523,166.052633037135,"MS2",1534795.04154219,1662157.13787628,13850919.1180398,17651075.7026983,7776908.87604721,4575691.72836342,27863363.2765562,28386108.6025441,32784334.7288012,23831113.4251133,65719531.4946094,16973688.4827076,48436970.4952225,29080050.491468,35953612.9613135,15731060.0837815,34943893.4366761,19442674.8005698,35831745.9549593,29597903.9866227,20036513.5554389,30152093.1355813,33308765.1307716,19972793.0271273,18141479.6963845,23979195.0308561,15756461.0930435,12193351.3201186,23751042.3403654,34272194.0874886,52918606.1350901,32020446.0610055,28504930.7214278,32312520.6421794,43251691.0495906,19992155.8730819,11283121.5172781,22038246.2687244,24125778.362801,21745415.7621327,22296781.5121183,33167769.5874081,30174680.0790857,28971978.7498333,34693243.9167854,28611983.4436075,38946258.1910697]
["Glu Leu His Glu",0.988805307692308,null,null,253.9115,525.230825354234,"MS2",0,33776.7155218654,3460098.792222,1050090.35850489,2936071.74999685,0,0,744696.211803911,388630.128538677,1899911.71965225,1968414.07255938,1733532.52090141,0,351269.145335646,1236618.24958019,2389524.15696429,2778604.46842835,315544.43474995,0,708250.468042145,0,439122.181869843,0,0,3199778.68536958,1154223.08805411,2107462.73295536,2393620.12622999,1947753.7477565,2274939.98823079,291199.295657814,2262990.84179551,367844.85799616,1311051.23762042,2787496.50873828,2281251.4077463,5549.70037019679,2677552.97269404,37824.441226911,854229.645221272,1440723.75569608,3233504.86872481,2896402.18840423,1820002.33334845,2390002.39015078,1558161.06914063,1365959.09434723]
["Maleylpyruvate",0.98873340836625,null,null,297.7375,166.993424366462,"metDNA",21140218.443867,24436872.4369347,22541873.9129028,19133190.6059128,23137513.8320754,20262095.2504699,20658809.1666535,21431473.3826859,19345473.0515103,3707938.94946428,18373362.7511422,22403688.8871796,26695668.7387251,29614098.768148,16316415.0208299,7760186.10377757,16662545.2068895,10799793.8903443,15555951.8952166,33157166.0174744,4490180.06914286,28228328.8672007,1531683.74067854,19947347.3520182,19579695.6127569,25036227.0418036,25617545.5044946,22873773.9996326,23412184.3977756,23750716.4929454,22669425.2274426,22534075.4721741,23803345.9017715,25373078.9777997,19869959.7668266,25270674.2771876,25244792.831576,23884555.8098013,21636120.1240339,22127681.9566692,20632946.2103081,23546433.9940794,24107597.0790623,21997997.504328,21970042.5794241,20709347.3914085,1162731.08167502]
["4-Nitrophenol",0.988711538461538,null,null,33.45155,138.022805990458,"MS2",129670.821331901,10147592.1544414,1207652.68967662,1065300.36198463,558492.975701172,2069518.65022586,210149.5633274,1856685.96495868,1098606.42140106,902980.169680754,495738.3151708,953238.559195823,303031.57282352,892747.895021169,554933.199286115,718336.144630973,1541384.98521429,492037.580601412,623756.620520168,617410.214844326,820245.637897353,561443.474697102,543450.007755079,6017944.04696115,6949140.24635226,7732739.1014486,8741271.63170955,5222234.85181539,8255470.3182,7068278.05783644,9313117.07785624,9676800.70462461,8825875.70439908,13335221.4844422,10559067.9738636,5941213.77098633,1711819.29843446,6176299.62258213,5436681.38299375,7070894.85766885,3391590.62740179,7338236.92960723,9610041.03865696,7157063.65569623,4170515.74548786,6202788.72282935,12414234.209118]
["Monoiodotyrosine",0.988709846153846,null,null,164.005,305.962786056708,"MS2",50231.0391334948,63990.2878858248,116640.737082371,603922.764174317,76274.9578893231,87605.9484946291,421518.689881367,51214.0996679766,173505.575999997,399507.736426025,5975229.84397338,1261933.13246257,1273212.7944206,3596833.66424244,12032434.6058059,277357.267849492,497816.996263021,13967857.6522223,2815257.35033108,6374609.78730696,1399072.10757696,4202133.51630784,8468249.27501302,53238.5653789522,45539.8437254341,92433.6639119476,65249.0283789285,54149.9731823203,47055.9603686205,53577.1203320786,45841.2703790084,47428.7096594125,49816.161357969,51256.1623970632,53163.9610619067,59678.7346260063,75590.9370699137,52849.6673445702,70332.9124900372,81790.5514723738,50997.9786660267,41551.3080679142,51344.8614065082,41981.2370868847,47133.0621374917,60769.3993717939,47974.8285158843]
["PE(17:1(9Z)/0:0)",0.988699230769231,null,null,401.259,466.290408175509,"MS2",338768.206688901,188365.633220025,452068.551195026,810056.634773027,162377.500589703,579574.57474204,2291849.92860157,1405969.97763599,2355259.05454167,5399628.75352302,4254354.61693728,2158560.57439285,8970996.69343174,1691498.71806851,3729319.07691598,2307839.85040755,2724121.36413744,3800705.40822339,1070103.09238393,3182264.1875706,3218653.57873661,2811174.26675018,2268538.18283945,660416.336414796,1465460.04989033,3228912.93087713,1873586.88448745,720928.215997156,1503656.5698023,2115197.39789392,1025185.14314187,2125345.85123501,3549159.37708996,2292310.60968108,2469566.00679081,1246360.10862801,251239.972220337,1135560.47923057,1399358.09984926,1093666.84946608,3358008.78492858,1172120.14529523,1916095.54370898,1816199.55759375,2184090.75045935,1880008.90543392,1369163.92928465]
["O-Succinyl-L-homoserine",0.987695399682985,null,null,163.2065,272.072882736924,"metDNA",1680.59814845418,0,52432.2742331483,35729.276398038,27244.6836329095,10172.2533135407,163004.778758789,159486.976686523,100069.492736842,158316.337949805,305336.996137306,63709.5902322864,259285.759761035,240991.369277344,207583.341846501,75424.5831578948,175350.058511187,74060.3564382599,100305.34448219,171276.025807617,146532.424888494,189837.416850853,124885.871370312,83044.4942121825,115517.379702908,163161.426317312,91867.8755811766,15938.4784909557,56862.0347681642,60262.2856375281,380214.10154804,208313.968497722,57145.2511238839,387047.224811205,266566.327066023,79564.5270227291,6322.88408954144,86293.9221891083,134800.167219563,185043.271588542,107531.582599164,275994.99779455,175375.488039742,103348.794709351,226579.626703027,146927.133716016,336054.2861561]
["DL-Stearoylcarnitine",0.987673307692308,null,null,414.956,428.371194091938,"MS2",39956.6686232791,75500.4683198035,593193.354530062,433425.214553186,185736.328260646,172079.242842609,2323124.69329062,1727720.35809656,7917625.69275857,8898564.99638505,8503235.49527466,2762617.74721094,43326848.7564203,3231051.94167529,14687929.2499579,8655573.13828329,6500266.14039526,27735745.4940012,3173986.40001783,2276885.95626221,11623536.7390791,4809353.99663016,6517641.89171715,14574327.194836,20261818.3541963,4670844.94823396,12125252.0698417,1913739.48592123,8850817.38143066,15405654.6469292,36469540.1780093,15938502.189505,7852163.53199674,2445954.60457519,15680015.4911754,3464530.37988134,908333.218613695,7531686.50938535,9240584.28696988,13580662.0112763,14458277.9322333,8211963.46095899,11337679.9225002,11135317.0838233,10736558.3302884,17957496.4378468,9050098.22114821]
["L-Arginine",0.987645769230769,null,null,35.1258,173.104092122782,"MS2",489591.533404511,466862.223751721,611146.183846952,822033.38906797,172276.206396112,451106.641114405,15051571.8572744,26878945.5811735,36433803.7569038,15894353.8751212,27622796.7040939,14115532.7358689,84906202.5382493,30901541.814,50457448.9166543,11490031.4458678,14686621.197075,232979030.934152,51795017.1906223,33788813.4273304,251773008.627182,73994515.09953,203234237.088204,3199543.36106017,6109311.91841497,9294661.80600357,5329150.31536017,1331966.50869798,5196382.74013961,5205603.7057817,9634516.48503895,7820495.65635971,2556189.6777334,5758322.13613922,13022602.2366177,3677526.71533929,1875165.17454154,4471253.86218673,8847145.61083224,7694861.0207953,3498854.45920003,9997285.58471555,6630155.57001834,8667172.31029849,9271104.84191719,5083906.91132891,7583944.44209442]
["Halaminol A",0.987387461538461,null,null,452.935,228.23120158304,"MS2",129608662.975654,136190992.725161,173857499.945884,139044745.395563,208795566.592512,153413824.017458,123379965.155772,202524340.055142,138702917.707715,149425712.859694,165054991.965051,151122380.843572,134404927.033387,134753085.972994,141167495.652348,149401661.709857,188473320.93025,164706589.944,171612789.052946,130520868.451072,121611716.485071,167780077.92,176840795.363142,147512934.50726,145026848.566744,129842893.454141,192580299.806502,152736944.197701,210246510.933764,150087435.317335,142447406.697917,124799963.548967,148110786.323384,119686905.517759,145718387.851555,123692142.886864,218594589.966064,208331416.980687,215805520.814423,115354022.667271,154787360.56731,216424190.559417,147533059.085053,179502600.756258,142098536.394009,118345231.498098,129742344.092933]
["DL-2-Aminoadipic acid",0.987341076923077,null,null,35.6815,162.075410983676,"MS2",2785248.08746469,1301228.28526803,2364221.86480201,3758843.20850235,1318765.43149279,3305086.76503101,2375103.84583125,14561891.8486877,4844839.41546429,3818239.85478112,3464985.77665394,3989199.10875003,8853837.06304995,5859715.9337985,4465900.85302285,4945387.20420971,8409922.63719815,2771529.21476748,3453337.08000859,2893014.95929716,4169336.8111128,3132038.27859884,3944610.53466016,9512696.01471429,13690881.2053929,25810292.3088214,19374821.2062202,7467286.19611663,45485474.9034752,26514544.7687946,19160676.853546,20658349.3816623,41033206.5842101,23041062.9741037,146711515.710387,29616998.2850119,5979690.16945735,21186067.7402317,39320337.5586379,12916979.8689995,12985034.5149922,22916266.8698117,12723644.1063888,15455420.5043321,15454642.4965017,24997339.5664863,55732249.9415312]
["5,7-Diethyl-9-methyl-3E,5E,7E,9E-tridecatetraene",0.987194923076923,null,null,509.107,247.240934523068,"MS2",27117479.6643362,42815525.6180876,42428461.3233979,40579080.0959144,27601032.7665013,25537114.9258134,24385276.7284614,47192225.2327717,23072392.5765255,44299919.368135,20843522.8654862,41502962.413366,20962920.5631801,45255925.4028893,44122995.8206891,43213321.5146452,44372969.8923317,30576897.1097983,20348819.0871903,41524504.3931775,19876575.2598413,47609289.6907285,24014145.7997846,25427831.783389,42796656.3681342,45541612.7062185,15453134.0720663,45195439.7875886,48100909.016307,45985424.1246535,22928513.9970321,41489417.0731741,43931469.3317935,7865691.11062503,45395098.33156,26246128.1327911,47110769.4320901,32779411.9524801,29089512.9312082,41930188.0084751,43343399.6789336,30210928.8113122,44409084.4539643,24334212.570107,27719452.0402944,41262076.3120324,24987589.3948102]
["Deoxycytosine",0.987173692307692,null,null,643.474,98.0708095123859,"MS2",3115271.65509301,3424118.7020609,3431088.74274576,3678244.35133503,3135695.18681249,3545522.33147138,3401806.19237044,3649734.50481168,3103923.96315791,3151224.04592505,2057457.18307067,2838466.83730612,2795659.64006913,3273309.06143048,3579950.01218347,3581402.99627342,3346710.93313525,3868904.58882808,3758196.36099903,3784323.88414845,4092637.79970506,3485389.69470415,2820405.2838314,3748660.45836422,3382168.8312472,2971210.24327392,3541341.48248472,3491592.38188985,3721060.73764289,3659099.72443889,3396938.49405584,3109322.56696357,3965842.30904083,10489093.9472066,3646972.17575082,4126359.94758699,3668197.52874911,3210693.40188904,3532750.79525721,3363395.08974491,4807262.29579376,3368976.84964286,3602928.40942169,3539574.12372206,3102958.8747801,3918457.80715188,3224627.71668707]
["2-Hydroxycinnamic acid, predominantly trans",0.987169846153846,null,null,175.154,163.039885781671,"MS2",450530.799891655,454399.184978761,431824.891810059,479390.306088056,456954.093150476,431933.808476448,2999215.09809014,671689.180110861,712693.521262379,2625618.8828125,1872402.60669097,2912007.81187379,3614136.71399785,2153501.9769961,2648846.15414664,1926100.6960646,5498410.75951842,2581716.03384566,1215750.373457,6953352.24381511,6038998.57274038,4628238.40498578,4261921.65536759,659248.820505209,694762.347113932,628673.648197583,532129.306080229,606518.405689606,892715.015438793,784614.819337768,615924.192023866,818593.457548434,833749.503147321,662516.50131806,1266135.21529043,757724.526926682,849085.445141098,723071.974009385,651995.359183946,827154.434440918,583381.785614909,763758.368708448,922981.818423829,627328.506553453,783668.885704728,707287.175955927,581252.909186498]
["Pentadecanoic acid",0.986816846153846,null,null,456.133,241.20802750786,"MS2",498226.376548608,582932.47088025,502516.387059159,670712.511953221,516709.853310267,495036.001342244,120148.930878905,664644.799751483,469836.30531557,255985.879495338,322470.291297818,476395.26506951,170157.335504463,594652.713494552,455256.059740413,740889.500957171,289561.469936328,167524.026625489,891451.87200227,710415.128309426,538515.8973151,628060.419343321,606619.756807407,505113.037096569,504507.714695811,541745.835281531,477536.517715862,647153.116372648,556966.210071988,562949.944696527,591419.211829835,573874.368226793,632106.711290033,454869.40386747,657184.547413512,506995.380322138,540784.569929706,481028.269930959,504581.10948594,622119.625728701,883136.739125869,689906.392906289,556946.25490289,564637.493403567,647803.12738061,644964.275132104,666673.42190014]
["9R,10S-EpOME",0.986312692307692,null,null,421.156,295.227403696529,"MS2",8657136.05940634,6586331.32074251,9602042.87235501,15023626.2828758,6197425.25102258,15911419.4108161,7789510.68817578,6434344.62102206,9609744.68544511,8324586.23480339,13090587.6361394,6991156.77162875,10955594.9309431,10336983.2772457,6033275.25136047,8752679.47025775,8376390.94421378,5534070.72373863,6415586.77521119,11104976.8654978,13281364.5455849,6476540.57912118,5612253.81042858,3660383.18674625,6119729.31945673,8165471.92653038,5805306.37195753,4689368.00040951,4156807.18390112,6480949.16062682,5908641.06752656,4995853.98057601,6015915.79248215,7178239.27596668,4806381.3435335,3723564.98505525,9427690.1659946,4786472.34714515,12778556.5143111,7720360.51498147,8639176.08852924,6816644.97325197,5691536.59760527,8761637.7590133,4684958.57019948,6956061.55640018,6257295.3029253]
["Serotonin",0.985986846153846,null,null,143.477,177.101540079874,"MS2",799880.896580624,721532.08081719,782363.150316576,667398.899587867,699931.372248216,643075.288211926,4725634.58452,6266194.17281719,5833382.97859492,3146029.1862568,4045253.90215732,4022312.29356172,8707863.94261402,8397956.26479254,8362146.61030207,3013460.4629735,9209263.48223781,3560095.28147941,2658523.90621448,2364761.55686257,2289006.61135714,4124026.86502348,2385625.2832275,16230199.7449448,51628766.57591,29652503.3013036,25547605.4204274,747847.305034312,3197725.22933035,24196068.5902875,27350514.2650701,46846936.523852,6370451.84537762,2005961.61576034,3074854.62924731,7759718.77582844,1270046.81961161,23324652.0099241,7203596.90358637,13567585.0434423,6193783.627112,39198025.550835,13168266.3295822,4998509.86794509,42763828.0091191,12102001.5316589,38427115.2355543]
["3-amino-octanoic acid",0.985789461538461,null,null,57.21685,160.132588034653,"MS2",3509581.50522629,1452521.43602049,2848734.61431219,3114187.2721788,2920843.75618438,1974231.34533562,3394774.93240519,21637272.5533896,6923735.67724226,5494135.12568015,3763450.67390683,5597561.47370456,9303438.31582038,12546292.9760342,5332134.04452954,7494318.30090545,12040160.7039811,5665867.08396429,5199058.56653355,4797480.28136283,14044813.8378424,2939139.57629877,7530647.9894638,65544345.456873,64143167.3107394,87009241.2541786,41942729.6692141,18218940.062224,69000582.5111222,44502402.950739,105758309.473736,76506702.2893771,126477670.592534,116453382.072726,26017150.7491583,33960107.2590573,17773654.5335712,64383237.0938268,85339214.7903482,43142229.156949,27736375.8461761,83065885.9058072,33186785.964,51807865.7681952,56584864.1890965,35988924.3710075,170859034.829898]
["Leu Phe Ile Asp",0.985104,null,null,261.7735,505.262220413586,"MS2",0,458719.765794639,4485346.84561902,2441760.43664014,6508596.15901227,53193.4416055717,0,6371151.35194811,2851542.94924131,1367861.93249581,2769649.60101853,259197.386272662,1666078.83719109,0,2043512.7364012,0,750597.461581904,234130.271950183,0,2753341.73540308,344699.08824432,813728.117330724,1908062.21194649,457603.767562497,2528183.97527115,1182691.86146807,753513.481157831,2446430.23138567,3268096.57199243,1177290.52597115,612917.286521089,4963859.25530314,2682720.94210715,2718118.87421872,2428460.03960811,1395678.90098672,721754.502053308,1078589.73648215,916007.575247389,5905084.81816158,4482392.70939326,2506800.84342883,3715724.46015968,1098640.10537543,5858206.49444766,2817582.43973425,7390174.68730699]
["PC(17:2(9Z,12Z)/17:1(9Z))",0.984972615384615,null,null,470.573,756.548892255639,"MS2",5509096.06201511,6428520.45527345,8699139.85916295,8816276.89271178,4409144.70358209,6848487.53866713,4224917.23778019,5865313.62817383,8429812.08149664,9909568.30601328,6740810.21208301,9632993.51645114,4955955.91631129,8807455.7380712,10587964.3093201,6285923.54422952,1841430.98025798,1694880.64330019,1511907.15305345,6119100.47510435,8505639.99978515,3537886.70213598,6363909.35935338,2014431.89291466,3494323.25387073,10362045.4332566,6729365.40833614,7552125.55624515,3987650.2963554,2546496.40579983,4183629.08632014,7620424.91329627,6155433.18927541,5263846.61390029,7240794.92340551,2733170.6225484,3284847.44929724,6418160.95648826,2988840.42902055,7218148.97022735,137001.508476569,4677026.75307092,2907702.62767306,7619326.88759995,1243048.10734376,4919814.96042601,4616048.1740487]
["GLYCERALDEHYDE",0.984292846153846,null,null,31.70365,89.024331511271,"MS2",9179289.38334559,23958785.8506664,22307609.0208214,22147039.4113031,19602138.0204851,13703577.9383606,19853633.0944315,26370706.0112776,34956096.5983329,33734176.3049953,26051734.4373298,26127844.7583214,28926803.962075,28970639.038133,26382522.9476845,20838893.5231906,32274467.2317748,26712770.9142745,34239678.3928033,32429706.1167857,36086325.1566981,31164149.4171429,27032953.1563928,28592375.6976677,33529768.9374671,18901440.9396209,21988301.5086319,22343062.7713838,36592440.2447071,78717923.6486627,33948687.7833387,23077178.7062143,18673542.895656,46254074.8123695,93158742.758783,26259860.3257964,21756558.0303716,26255874.9021283,28944165.8509524,32133171.6046306,69251277.1220979,39514416.8802733,39355274.9634107,27132970.1954998,28266320.197415,32205967.8790993,21680613.116175]
["Malate",0.984278,null,null,26.72,133.01407760475,"MS2",1247456.56084085,558180.156694182,585147.774886043,981461.998560562,1045531.61394574,675678.439662625,2486694.04161989,1698772.01857732,2586770.59376422,1071272.98955273,745834.560485388,853444.942210205,2053788.75298959,544087.090052997,850409.679704833,605362.62244217,965518.431567539,1281242.11114236,752581.025739134,2337740.04382276,2061685.71895015,457308.981724728,2001362.07695345,11309223.6473015,14096361.6969772,9857303.54896094,13828196.6934962,2070030.72292428,5062369.61351129,36372404.3862958,5611670.18819824,17976712.6122973,8899666.69896377,42518014.1666608,87083230.6008407,11189030.4146004,2344942.32327195,14768024.3599386,15909076.1713661,35724478.4337809,34853202.7260034,48956540.9501742,18131914.9688274,5466885.04548324,17348861.3495197,14326235.1992336,30500675.9882443]
["δ-Valerolactam",0.984068230769231,null,null,492.148,100.075142770334,"MS2",23681445.9905531,22168448.4495809,22816859.41436,22551905.4507168,21351764.2306984,23413396.0424183,22074150.4868675,21650540.4300328,47646545.176345,21516052.8024034,20454069.792169,21353350.837412,22290889.7235976,21265337.4106313,20354835.7257218,18409591.3175151,25471962.2101596,49434707.2790703,23956330.9690836,22049451.9015943,21687823.8367567,21916902.3994103,21596597.6419455,25286323.6748572,21870773.0665521,24052094.8680268,24121999.146,20376184.9799166,46498835.6869744,19551619.9208572,18710545.4334242,20739020.5723378,19167486.7369166,19384795.6821072,20701399.367375,21950187.7586013,45922525.9890267,44717093.6896885,50121049.3588091,21286418.6674286,53354703.3780704,20783841.8783332,24903995.7263081,46499480.905444,17725083.1014,12687994.662175,24869230.5303052]
["3-aminobenzoic acid",0.983461692307692,null,null,91.4767,138.054443629838,"MS2",4344766.4840039,4649352.85917731,4511338.95176731,4965225.54101002,4852954.14017778,4284527.44230544,4494283.98311917,5683726.09986762,5125156.10279539,4758712.8078181,5511550.80275425,4838944.13453621,6302484.85851936,5080292.1652474,5020618.52918283,4870333.77563477,7149567.76554058,4530577.63266747,4172108.84309838,5063571.20286364,6676444.27868651,4924100.33806892,4697674.87543323,15806372.6739895,3743439.15139374,27886729.9191491,17794986.6346382,9966382.35946622,11979855.7431429,294745351.450993,32086604.00718,22188771.0626932,14466188.8723107,481260668.765552,21389276.7975848,19488867.3519707,8293469.07101668,28412182.8710507,14591160.2955431,14058793.2902281,18156593.584359,3613867.22609691,11590813.287624,7354461.81310597,6212894.16448752,24598158.8431087,16638700.2615917]
["Leu Val Ala",0.983449923076923,null,null,168.284,302.205881136813,"MS2",41536.8215005265,267547.240261964,1933039.36016518,4647473.07937198,1578857.38214625,1140943.93825571,5968227.33013888,4471866.76642615,20065186.0774025,2198371.81463281,14419151.0298732,6472575.61545785,7666912.03427788,18306748.7440341,16339898.7406557,1997030.76414545,9819305.86314594,8645598.94632708,11163900.7386119,17756166.4741594,11816129.1838728,14986127.3645445,12571620.5979211,0,17230.3367615175,90337.0784626102,0,6799.37012437245,58572.1452543139,94042.5029914885,8295.13462799497,26100.8834858552,14669.9240440755,21155.0300320506,150127.964502998,31280.5847446294,16952.9241547668,0,13735.4388708458,14532.854792632,120722.491671858,19327.1462435216,62024.0614188824,40040.1532172561,18764.2955403158,6583.64093152867,6793.89530172731]
["1-Hydroxy-2-butanone",0.983157846153846,null,null,34.0622,89.0591922369208,"MS2",13403803.1414087,14598848.588419,11318201.6783697,13633500.842889,9863755.19981868,10373961.5163656,9055280.91523482,12172500.31768,8584857.11949948,10431627.5625161,12975201.4192599,9003302.68082143,11258442.617181,12841808.397986,14812880.6430003,14561372.2518272,9406063.94611583,11691256.4251652,9642328.09304744,14622129.9359549,8846856.91350464,10855208.0972238,9658590.06641802,8633232.2784264,12618158.2439115,25186160.1936855,10633734.3237897,13586620.0458632,12203803.5672595,28607738.570148,9613748.52595451,17732126.2039242,9535399.14803907,26391488.621086,15413564.2504692,11762333.8266723,13834612.4404594,10515979.8700045,4040041.58919134,24379022.2272034,12194674.2849279,6133434.71069932,4498044.1398335,11064123.9406987,9485706.26575028,11113335.4591074,14067592.8678076]
["2-Imino-4-methylpiperidine",0.982678,null,null,491.986,113.106734951703,"MS2",3436949.45272367,2390047.50423215,4024009.86087204,3124880.89339739,3691902.23927514,2810403.64274849,3160594.35121114,9368063.87668421,7673958.35991448,4750669.94272876,5140803.97967369,2778754.85971373,2847284.57589691,6565640.1018862,6402075.748125,12969929.4689369,2296701.81665723,2530862.95924793,1741322.06227802,9897477.84797545,3428749.18262872,5209821.83243749,6206028.91737023,2453832.50239806,3156401.48311278,4102739.86990173,3871322.11368513,2268950.64606608,7841246.22024675,4380064.63833611,10429804.2721516,3518139.74203907,9206989.6222035,3432831.67786306,11023200.0067166,3776277.40811917,4716128.53430263,2673564.44642253,2511078.1338558,3938800.65691748,2694203.99493734,9183746.72408744,4688565.8900664,4185885.86300871,8476039.43060163,14208999.3812921,6363739.36843879]
["(-)-Linalool",0.982646384615384,null,null,323.807,137.131968640789,"MS2",14417939.5996154,14615245.6097143,14413399.1902361,20384949.5195435,20656714.2286051,13730725.8875432,65512022.3920443,16829524.6632474,17418503.1911733,20627349.9623476,16893462.6813947,21166987.8814636,37721471.1073395,71633282.3352607,8866773.67043388,16129191.0779999,20655440.6065263,17266935.6356411,38580249.0064389,17214957.5270955,15889864.7404231,34142517.8676845,16460611.1715253,14016281.7560679,23637654.2717892,14549209.8841472,14445819.948046,16215012.5610357,17099683.2874185,11881718.7896875,17118157.3744132,16023910.8817139,17578515.7134256,15189347.303439,15314039.3024559,21641401.73825,15072665.7769686,15646145.0713694,13101038.4401122,15112928.5110438,13041783.9686269,17483638.4790363,16294458.4898044,15690108.4113227,17169391.165479,16883158.0107393,16301958.1182148]
["3-Iodo-L-tyrosine",0.982359368,null,null,164.002,306.966201584865,"metDNA",3982.05309257337,5294.61549348147,0,30938.4481068651,5730.99634813269,4606.63572592864,10640.8648948669,6250.64318591322,82598.996273949,9027.28918967857,509946.092492862,75509.2161005302,76507.2275241986,302661.163854959,1072393.77544896,2331.57056590526,10127.1202293472,1256883.44423906,258248.690022787,540185.746845155,99094.0132755053,351693.775784609,817567.640148676,3817.37535082312,1979.69627631727,0,3558.98974168868,9247.38343427082,8470.98698000678,1864.93024101428,2932.25537434694,0,6209.26705058325,3613.42312074417,4114.93614172055,11488.8934882979,2822.19862064152,4865.47519398142,4406.5750215995,4585.3227476288,1782.74876879698,0,4222.34583597969,3982.06462742185,2625.28021991253,2091.46093951301,14675.2203129774]
["6-Caprolactam",0.981957461538461,null,null,186.279,114.090960507118,"MS2",27049227.1259167,27816325.3735715,25202192.8587918,23003024.541675,25397120.392525,23495023.2509909,22494168.2306656,20376596.4037983,18374127.9034012,17291616.9528748,16428618.1499812,20279280.958255,16866962.3060193,21534036.6096487,17062870.2979569,20025898.2794727,14859902.20305,10751797.7151686,13954147.928657,18394388.2132514,16079005.0097156,16063160.6826674,15008438.0522999,31499334.5319283,32165384.1242235,21594132.5340995,25753306.7766266,19520964.2834257,19868979.7208462,22519714.7889535,20286475.4385,22288786.332635,18924390.3033484,26482828.9054513,20339135.5008637,19455471.5909688,20932674.5373065,22710290.1947153,16028777.5021793,22403030.2049227,16130291.5180917,17868868.6840668,19506108.9284325,18512462.9461364,18625316.7123225,19790306.5880808,17740228.5406405]
["PE(16:0/0:0)",0.981724153846154,null,null,415.762,454.290424666661,"MS2",432788.485912785,245712.397779541,1238859.64764375,2927956.91355083,44206.0147261981,283421.925994742,7811905.52794531,183361.235724353,4935939.65927677,6237160.33296325,3935004.55265105,4155963.23961492,21092454.9653304,4222104.6495792,12037293.0873497,7907785.44499466,8203952.55701219,10515450.2227646,1987370.65840442,794258.584707809,6459446.22314345,1458821.71691518,3764281.85558361,673799.4618356,3171409.8185473,1327033.62537746,625138.527527347,21613.6605497266,332627.3192264,83203.0213094389,1366614.98738839,1162243.60577295,354985.477666358,209475.650916903,81691.8522399333,565539.241891254,67738.3824234659,550370.986390338,687061.204917834,726913.706682861,541567.149267858,645030.257179282,711342.883985417,315548.777166839,1072738.01354789,268989.712507913,574286.909349827]
["Hexadecenal",0.981182632,"Betaxolol","21.2656703145854",410.1525,308.228509726526,"metDNA",34233.0651066676,136646.475970703,196751.965711758,624260.096675467,114101.080858473,227895.605527734,2643974.89001293,468883.141060791,1595659.83908111,3609832.89236285,3946155.53463648,1365048.34821703,802423.429031251,3098000.75657786,3770355.06884648,987760.878865238,2768468.23689768,966099.455136067,647906.469224611,1083747.26161688,2842211.74327804,1787042.03566819,612197.695601304,42229.9982978033,44836.3585718979,71495.6511287841,58844.6331744772,53512.4464043885,47606.5376662426,27409.0629849289,8120.63165818527,69003.5535333715,38734.0348813273,57396.436555393,327891.521003907,60470.6971707605,14544.7584371133,8011.68861309811,7886.76351987954,65228.4158581682,61998.2758865356,15302.9029388717,283769.646121874,58579.8719583634,19506.7562037201,144549.198910158,6752.62490991751]
["Anofinic acid",0.980552923076923,null,null,659.431,205.085037839622,"MS2",4076943.27296344,677995.912875018,1841181.01496835,2566583.20581983,393889.862890602,1418655.9277362,341914.464031249,368170.849687478,310116.695624982,5232558.384,441455.244229178,4975989.7950201,1357830.75522473,3095281.49735646,6429784.06230754,447446.936104178,1258489.14325783,365886.169206247,1100225.32887268,402780.902104165,420987.487931239,3174829.75451999,2990024.34690147,326736.200643769,204589.644447922,316844.46374999,4147900.40772419,351597.593645843,1683164.43484596,333699.560145842,6989772.65953662,5256059.85440538,2794897.36876736,5325291.48021279,5301850.66867652,1777325.52061355,3935244.35425002,277252.606953109,2581904.92491895,5661540.237314,1733353.3200308,4518692.84462728,305913.526640672,335654.740072925,3851674.03753767,7214050.02224551,3578132.9247748]
["9(10)-EpOME",0.98040012307009,null,null,421.195,296.23094425423,"metDNA",1572084.59015336,1088951.27019428,1807842.70007202,2961160.38447761,1092303.49921875,2963245.07647317,1300502.3515466,853610.045454764,1704551.52631613,1813533.50859428,2590479.48791132,1059714.99510268,2021331.20754896,1724050.73537403,1066788.78267227,863365.949966208,1479304.61059545,932271.164768309,1109797.93277432,2146258.8610116,2374516.69753334,1056614.60874667,1025423.16100578,521662.116852741,1037052.27855342,1524216.56974553,485701.97117721,623077.136555539,606667.888228066,1109280.18371194,466625.544116056,677857.37222719,1037812.11196023,1254107.56422716,637995.326354688,517114.633382562,1746619.22786502,348317.857017473,2457345.40713335,1118532.01825349,1431452.05439878,1141875.66210453,427293.422231605,1577384.37000187,716768.755886957,1212947.5159062,1068514.73356717]
["D-Pantothenic Acid",0.980329153846154,null,null,160.563,220.117007138412,"MS2",2210723.83121823,355342.609183369,463977.098638394,756356.057365535,888478.699742055,644188.446619373,1144636.85402166,1245074.5115332,1696740.82607849,1328895.8396003,3212688.62971776,904883.250633851,1151794.89667009,2415437.80625391,2103434.56400735,1676112.17503561,4223195.77403197,787531.076484781,3034540.32867947,2085993.22565012,2766377.11781113,1816790.40685547,1582573.86828267,2187945.22683515,2511478.74687536,923451.136777221,1182732.55908692,2134644.77324556,7264487.81963152,3521694.05363499,1386205.41984558,1356992.82299334,1515039.24473203,6830726.13080582,5337116.23905803,1503476.2919117,1992470.26458633,2097072.74179526,1705870.16349192,1623827.62032422,2642493.04254706,2190025.44080357,3146310.13520867,1968606.76823262,3936183.57566367,2220121.59858398,4984283.47306641]
["N-Methyl-L-alanine",0.980197307692308,null,null,34.4654,104.07003908531,"MS2",2635839.63413297,4023363.24220194,4367263.14134286,5140541.21362596,3800762.49616216,3171090.15376275,3387371.49235332,7872106.71112543,4745791.94829785,4202159.61002235,4662041.20454154,4370968.16202495,7156373.30903359,5229208.37853518,5146566.64499199,4656823.85558573,5356580.93049742,3707627.45056732,4012657.98167511,6570058.12381799,7364196.59984269,4283571.02415617,4579081.09353325,15586839.5945597,20127403.6794099,26644700.8875695,21714728.9673752,7796878.07158929,9467129.66689286,25081359.4347301,20059358.85865,27658608.1595313,15878004.6201427,23992056.4621621,28008401.4565648,14144624.2536477,5906876.13273376,17012986.418561,23555864.1142728,20843676.9465881,17480843.1335145,27159360.6377183,22978093.9588511,29565706.0639701,28583566.2304894,24625562.7484286,37463571.9586158]
["D-erythro-Sphingosine C-17",0.980028538461538,null,null,343.9385,286.27258946256,"MS2",614080.75472286,212122.875493164,1662159.07957532,1701814.92749121,954961.038038777,521290.909765623,78259389.1501059,7693363.66903708,52641709.2516257,68085127.3655716,55327339.575989,29783423.0791717,29902635.7188182,23505335.5437822,28838074.5391877,38983575.7802156,58553252.1444608,20275307.9210886,9694723.76131608,6537150.89765797,16649597.0782525,15797406.5544731,13027685.1073886,3165061.15554111,12893708.2592111,4915077.27016205,4876055.9563619,3776983.21980804,3692357.24580429,18183624.8175285,9337126.3054525,6560347.72162382,4714848.51414201,4970916.41175356,41763345.168329,6586688.35402803,1842431.27575129,2806330.11118989,5853521.80604097,5581393.90774785,11006291.4565282,4877866.58752403,11464242.2411478,8534798.67384825,13089330.2333303,5964492.43096742,5832628.23226338]
["Sphinganine",0.979943615384615,null,null,348.558,302.303813660012,"MS2",2828058.60462045,8594810.00465786,16684355.9453917,6210145.62241381,13258162.55715,3374083.30345756,4762839.19359004,11464484.2137247,4103575.04018256,3688260.23861397,3927225.10606015,4021680.72003634,4377362.53576347,2959396.27593272,19613617.3121573,3168656.57326122,10765131.4118042,4350648.98011597,13267563.3541473,5107002.5937757,4348355.29804055,4913844.58783886,15138269.9406835,34187227.1544942,8526141.26762294,4827842.78953046,11357786.487236,5021436.65969494,11029426.4922017,17556120.9084878,5580168.01003046,4763056.8880242,20534293.2152141,2925880.50495824,5173271.47373322,18980496.9992055,6278099.02281219,4034104.83785773,5761997.93511777,3799441.05857609,4572355.32211632,7884937.8841529,32850809.1068144,3001086.44132143,11053576.8511184,4652482.41442632,4085291.33043374]
["2,3-Dihydro-5-propanoyl-1H-pyrrolizine",0.979905,null,null,559.1585,164.106365092401,"MS2",1188509.21512498,15782955.655307,18139126.3705761,17946930.4194278,1451163.02708337,19071614.9679456,17851534.5553524,11681276.9493966,32467145.1070345,1581367.89416648,11178719.6708572,7582122.27710412,38942200.5649634,1735566.06158338,1669881.25974999,8823307.06793475,27877719.8758215,8815453.52540754,1915329.69250009,14022829.8725272,15331647.3924062,4415923.31862496,34596726.4349166,9092022.9814168,1226244.85912498,7712393.8752895,1557269.01387504,18306924.1477932,18951909.8403722,25318038.7130373,15467984.7273334,26664591.1841751,9514352.66395198,11206613.3707595,5558333.24737497,25773370.378125,12129807.186474,1872234.37458748,15611295.4640582,6743435.55489069,16768852.8943634,22804369.7976777,1472808.19379166,2145801.73402495,1475392.00878135,3124451.63828564,2368249.82624998]
["2-Methyl-1,3-cyclohexadiene",0.979821230769231,null,null,481.817,95.0848560654829,"MS2",3409057.51684641,5070056.45609143,6108869.64659424,5392195.49492324,7487915.64821131,5272552.10761157,4455368.83884485,7316865.50713393,4521404.72169299,5716614.55251588,5509706.4023988,5660191.32759332,4438616.99546809,5555881.9174912,4732717.63961333,5364372.96437947,7526658.27824407,5770875.21951644,5958302.2833137,4465413.58416015,4295486.16743304,6504828.26317563,6110342.10876921,5907168.53591569,5419287.30506443,5188484.18795488,4049317.84286221,5638838.19219285,4090103.4126045,5374540.42639048,5317026.40447056,4293130.46055385,5566231.86378902,5418421.20988771,5872334.28543257,4436399.79442308,7658051.21730281,7480482.180435,7596027.36421471,5401392.59852754,5435018.40374348,7355548.49358157,6300205.25519417,6517847.06583,4954918.40979066,5288270.50920351,5540933.44062054]
["9Z,12Z,15Z-Octadecatrienal",0.979731923076923,null,null,481.8655,263.235683694166,"MS2",467739256.77417,469858517.525068,666195994.016423,509706121.471393,776603511.109889,578559548.706101,441882711.480307,809643772.498623,483209938.463563,570936057.602633,584066320.807822,566486695.956616,485680817.156304,496230942.341409,516883183.578645,591294805.748749,710215236.895408,626224739.957317,654294865.234234,431535880.266224,453219349.205482,622535970.589212,708596657.773101,534089572.007794,562828405.496393,499701493.80873,755086038.982503,564993677.022004,807336358.880677,569886691.007329,519109608.67961,461841751.784156,553680292.209749,438438582.167574,531838420.668019,460419341.624953,790726828.610566,804945873.367254,859746833.460951,461376153.383587,594440793.926606,833971128.827572,520356852.210022,719072486.186418,538811250.899584,433737518.558108,492847719.38149]
["Pyrrolidine",0.979628692307692,null,null,490.4595,72.0803806401378,"MS2",6790222.3704644,7906090.39093997,6300298.72659571,6669757.77484316,2586976.66438902,6204025.27218187,6031253.60945288,7526263.25413851,6837296.16796899,5286657.95606279,10944715.4621209,5000954.90385908,6170063.58333636,7410079.50480776,9103188.0174946,10773287.0101727,3528140.77447507,5681295.35430124,2856687.57624226,1912565.22011353,1429872.71864181,7351537.4936927,537868.711796872,7505287.07957282,4331119.98621094,5064991.58211352,7491195.52156481,2378183.73537079,366212.557421892,4663669.6130612,3876407.7218701,4648439.23798397,4852944.89669105,7292111.53097623,17653339.8805601,14455530.222499,4427664.63375351,2990368.69392856,5807100.22773515,6910896.92667185,4175308.61151359,7172722.71036224,7203874.43428004,4295049.03188034,7323920.13726919,16238143.6810129,7977298.25166778]
["2-Butylfuran",0.979616692307692,null,null,464.188,125.095582991524,"MS2",10319426.3893841,14190541.2476953,11122765.9566549,26361517.7485215,15737803.8480747,21215149.3588316,11507425.0234928,9268303.30850639,15883440.1622598,11397147.3325695,13082016.7748324,11235031.8946806,13241725.5540411,15010295.6274756,13855631.1144701,11107048.7886428,11340736.2615749,19183411.3132724,15460351.2333056,36727146.9616305,18999705.2081376,26930200.5346431,22226952.4228947,19256361.7971449,15928874.6176454,19132046.0196534,16145314.3064941,13479131.3367479,7569550.44168749,10756682.9662921,21445977.2596385,10373004.9460293,10828341.1834336,14040881.2769646,18899679.1684379,10619012.4043404,19795000.555796,11049434.9284692,21964393.113441,12337443.1215579,19785920.5819133,10303271.9410772,40115048.460928,13187693.2418838,18484125.4500103,9861473.32683251,15702467.5295949]
["4-Methylbenzoate",0.979348615384615,null,null,196.5515,135.045046068953,"MS2",3620937.62277127,4288815.50859374,5090537.83891278,4618220.26014375,4370260.09547135,5413476.02575208,3551080.3184307,5347623.66907856,4491787.95995144,4388660.15647981,3945790.73132296,3373878.79752865,3413664.59334473,3870219.14736782,4137297.17077567,4338102.7917783,4477025.98834075,3449314.60729245,3571415.8247551,3862679.59075831,3562996.42777566,3765768.30762818,5544213.51206901,3619266.03092969,3499853.73818953,4780132.19587875,3985461.43728469,4753656.56126775,3893990.30192088,3500126.3783733,4169133.03746047,4316110.25712094,4115773.00542843,4823662.47321865,5566420.01121575,4346665.77841936,4707360.83390625,4203495.15568506,4058771.27926617,5669375.95781027,4556100.04734353,4294943.99880001,3980348.40355031,5383390.74181451,4073395.37335715,6140959.66338362,4077502.96702501]
["Myristoylcarnitine",0.979313,null,null,362.942,372.308811405977,"MS2",14963.4805647713,15228.3174193956,412064.72467041,182999.29369043,9063.42132526636,14491.8243719164,3019509.20958492,642336.474372109,6523844.26515357,4139165.80475711,4104263.9337465,1727877.98640506,10209593.6479868,2290945.70774591,5110082.18674356,4912567.30783003,7702856.95332761,25817654.5024325,3541026.73888539,1347693.02246333,9125004.41620311,2985984.19065051,6580550.77397283,9905645.3542214,8460150.86480467,2196475.92106224,6311030.28493163,794872.721692383,5386564.69051284,12802108.5362173,7311725.7738545,3901012.37168074,4573245.11360243,1798191.95058446,5202467.63184474,1524461.39125845,25749.8284580367,2601099.11174012,4005900.04523263,3447699.27244027,15293343.2186418,5075792.01864756,5554838.05638322,4627335.33520891,7328236.3439548,5975478.08540381,4349812.84673088]
["Dodecanoylcarnitine",0.979232538461538,null,null,337.642,344.277680665231,"MS2",13650.4397533337,11563.3725325732,163484.04431181,59689.1078672697,13169.323289437,17770.0455402597,743094.621544472,1088620.04893925,483507.354124179,329113.366079503,521150.680574221,309624.765552521,1319489.5210424,848821.581888519,745557.375386172,1001163.50545797,1384636.15226404,2327117.09517018,370043.151431967,158959.168280186,973193.674041186,237927.719083748,896808.909310746,3054098.55669315,3583481.95611908,27066822.0379638,4136431.78352344,214479.424995787,942298.614040178,24332889.5634229,2801049.15840585,2541100.40081125,3180137.22417858,2378848.41281351,2689557.90664907,272969.157830793,112746.55234677,10153424.5795843,6960590.43296612,961037.245000163,2924118.82142853,1649187.07920993,2580884.04747656,2052311.57615504,1188876.16489702,976297.750301394,633370.865304685]
["sn-Glycero-3-phosphoethanolamine",0.978980105999999,null,null,180.935,268.053951983323,"metDNA",219907.032286836,237666.781718652,242342.651768428,259181.57693865,244585.831322144,240381.872552694,203219.16407666,240874.545000761,168039.656711397,200002.761988867,239487.69774284,211009.716210036,192774.129813058,232042.203322575,233158.498802177,255189.352379464,191228.636362304,4835807.7256856,203971.175182291,226729.571986409,188974.037369048,211011.828582201,167785.05973126,215476.326253203,233426.583513078,235723.028728517,251717.140398751,262504.853156641,254113.726459822,205929.618418526,249706.851334529,230687.571169697,265548.067292258,240194.131321874,241167.287446127,233975.534986607,232226.212651485,220157.702242632,204809.050040019,236603.7886352,221379.649182333,253654.939040452,237407.335795147,227598.84669515,248770.40877771,238007.936085721,262297.218366008]
["12(13)-EpOME",0.978964307692308,null,null,387.141,295.227394798382,"MS2",2936303.60138839,1643127.45225933,3040472.88206359,5348392.9259676,1442003.45595385,1598038.10465864,3371177.00757031,4917883.6581693,5769539.02706615,4560668.01182128,6022334.87021629,3696365.30927974,6926244.76598829,6780604.00270197,6964360.54607403,6186144.00770548,6234374.85698518,5455649.05226442,2464730.38231611,11857992.2136469,18898523.6287464,4054787.45419972,7607962.25994492,1973713.67064862,2588114.23392759,3167109.86666602,2989401.42254465,1866226.46445757,1828478.76569197,3010028.3190223,2707389.91015246,2944100.74191921,6144487.66698114,2961230.28752401,2354496.85275835,1414997.83377785,2400461.11513506,2201959.96368336,5214370.35136474,4574778.24270535,1859516.55624804,3492197.03352984,3836146.90178572,3466181.62466033,1818633.62382148,5190177.72203497,2847634.75830877]
["Methenamine",0.978901769230769,null,null,522.19,141.112881605204,"MS2",5646746.21704218,5863457.59577348,5450638.51920425,5254012.8278482,12185112.5176153,5821611.38159858,8713118.61790627,5189361.21278126,18280954.306682,6807435.29602744,6978486.3038477,7247013.92951796,15140158.4581798,8525649.81245431,5978585.68651463,5857256.78171251,6311599.0277803,16058665.5742243,13811180.8291865,5243649.37449998,14725790.5379773,15018350.9009798,6368623.47605736,6506684.21255493,5911146.05507253,7156994.00645698,7011112.47853149,6050605.89011791,5829591.38794466,7045350.20959173,6352186.15177094,7574825.47219702,5285621.8604519,6440405.9293088,5428696.87367515,5711696.12864256,12267243.1175064,4736525.64544104,5609209.69095205,6477284.29836642,4998337.89075004,6295218.16332817,5491298.38326933,3116952.38957142,4280003.40906837,5767475.07663168,12354595.1832542]
["2-Methylbutyroylcarnitine",0.978451769230769,null,null,194.557,246.16888459329,"MS2",1535327.79198523,708527.187723818,2997137.15698661,1496894.77747806,1463853.98588754,908738.581473094,3807899.68977487,8440279.37692063,5710450.19059155,4868778.60635156,5274770.44077104,2155035.81247211,3116358.69268877,3335807.18977248,4176144.59906449,4981947.18707223,11116739.3180365,21554752.3859651,5941929.67676125,14963219.5986,45834625.8484443,6799010.56124999,14127127.6258594,7015338.59791177,18876891.8301738,18562524.4562137,19240307.5888736,8856643.03451074,10176850.1469804,46410734.3741978,9004297.05126486,11053572.3859962,50396501.3822679,5330379.30449445,17167296.6106258,10023637.7587793,5517672.01370764,12332700.8603741,24149446.6148418,12082545.6767717,28560244.136183,24557160.8455784,17499745.2307842,21749483.4101691,37410844.9799619,11004067.3473837,16175906.1570559]
["L-Tryptophan",0.978391786999999,null,null,163.2235,225.064263077445,"metDNA",35990.860749337,54433.0463869922,332183.530220853,303924.728655741,163451.692910928,108031.745987739,739875.206949046,643701.02233129,489816.289566964,604708.809040366,1148892.23202213,313177.012360491,915774.802105696,866228.049312893,910893.710345368,317629.718546876,666371.018041667,312061.270476974,499178.670421366,658165.942124699,418061.417703747,641639.930506721,595661.29379216,340209.976351407,601992.800819196,676099.69341927,455839.098652616,119094.706212463,264246.432985521,367596.42178793,1426459.99312597,808988.605111607,274881.631258929,1716302.2349993,1075920.32288779,341628.447796535,94349.5447552849,398886.297794989,568095.385259702,807078.500851174,412939.527353028,1132599.18620936,637520.714913672,484466.120967204,918518.539743567,648351.321689732,1400017.65933011]
["Dehydroepiandrosterone",0.978155762249814,null,null,439.374,288.204561045412,"metDNA",26983.4550492517,21952.8413503848,24283.8360455262,225442.379575967,42477.807846798,165702.49092014,2959365.8370134,17959.3313398361,3467809.87012907,1231145.87914308,2440559.01636161,1396053.93544079,881308.124168349,2235982.12482551,3826110.70340581,1201051.02848482,3217238.96594867,1351759.82733835,140742.823985755,75661.7362650514,777058.139220259,756973.905709821,150168.846928444,6027.59918625509,4048.54778484229,0,0,0,0,0,19517.2170625535,7125.60819741775,35289.3699858887,4972.82424839612,87137.3614342377,14897.3307951278,0,0,0,4680.88723376907,0,14263.1239449259,12256.5620077067,0,8648.17797202489,4204.59875791371,0]
["N-palmitoyl tyrosine",0.978149,null,null,355.138,420.308449048732,"MS2",9984.88745358895,5974.26264025271,7019.15731263161,105275.289260946,0,19370.371630394,2104984.57109088,14779.548261281,3096193.19276146,832818.199969216,313671.630898897,1482975.76504243,2707565.24814926,1633744.14898174,3165634.09691998,2541631.70256667,5675651.55268322,20985131.3971366,2311352.77966183,660357.053283799,4454122.88517619,1062284.13946578,1621184.33807669,9237984.34952294,4360796.55996986,15087.1358142361,1365053.61294531,0,1600056.11814412,1632024.217033,2951834.48178191,356691.07434847,142398.917459103,39530.7325500846,2459785.20650958,116480.972982453,0,161816.507608473,71032.4897691896,1804235.09142036,7383502.02861278,1671993.47761786,1603717.97520536,441045.863560764,719058.335198209,2103442.63093835,1606883.26070744]
["Val Ile Ile",0.977733769230769,null,null,219.898,344.252573223598,"MS2",12482.6185529563,93353.0281896293,2369807.17743408,3666270.92912098,756915.286226392,695926.892216298,8494115.43748815,4085228.48823885,5702521.6912964,6129179.00052788,14169893.3186526,4968256.15441772,18195959.0317433,20265379.2274439,13357325.2329258,299118.184492184,9019510.90742841,56374087.0359115,2182168.7336875,13871887.4830562,31255586.0154111,16653246.9644719,50308801.1708523,5006.00392911651,31885.7589038372,6178.43796199986,0,5608.52805385987,14096.257373553,58104.6708972438,6051.31523914933,0,0,0,195961.351761329,115458.724114792,0,0,0,0,529027.872264061,0,54501.5656638271,69883.0153013792,6351.00416243289,0,0]
["PS(18:1(9Z)/0:0)",0.977605153846154,null,null,350.858,522.282942120306,"MS2",8411.27178365534,22604.8376200836,578551.36686792,567636.028433034,21541.9865720859,36892.0698089898,14408812.0792944,1002231.62686581,12773220.652565,24452448.7796074,6918138.12216367,6015122.03598518,14275594.7764561,2780363.62822635,6312059.86194644,4895750.25063595,7318210.85094229,6629022.70794325,2495310.49241101,3481796.83780709,3363995.43748353,4337031.87565838,3522980.17944782,1276831.80873478,1630609.78450665,1230607.0718375,1976893.30977422,502987.108660225,1458727.80947578,1398666.06471875,457303.355208051,3778518.55661116,40319290.3933987,1853661.96302953,4278211.22959578,1561446.90823424,394982.858232517,1958427.80536543,2006071.90919046,2007504.37800761,2747931.15259853,1721128.48475761,2036335.39152038,1757303.27584843,1788478.45143292,2259850.52541388,2391993.31600107]
["Styrene",0.977394384615385,null,null,350.132,105.069197028924,"MS2",18630106.7984643,19774027.4926532,21350837.7862431,25666725.1810124,19075936.3149131,16949384.660176,24096829.211462,16671154.564066,19907098.235331,17568769.6618775,18259887.7604939,22407623.5065466,23897633.2036069,22472365.2604997,18352197.8233694,20283002.5716965,20189683.1366712,19924438.1257623,20410289.1863131,20770486.1041135,23821285.4956092,17886363.8277245,15877642.0093699,18088230.6343648,22099215.956444,13728806.5091394,18030675.9568996,19523208.8370541,16123709.1622048,16832178.7843723,19202983.820743,14878879.6016816,18293802.5574129,15878840.0568127,19949011.533075,17554422.4563532,19440742.1977222,15165277.8081573,16396537.7173187,13241897.2060939,24428085.027594,18653753.0613948,9977020.91903271,13813346.5026629,13311462.1207635,14982794.5504012,17858772.5340715]
["3-O-Methyl-L-DOPA",0.977387384615384,null,null,142.97,212.090799336578,"MS2",990188.660209821,221724.952515845,492924.375682121,222177.859514713,275907.099894682,457376.789049357,371858.246558036,325822.45557422,1195003.92732464,446645.858114629,443767.080454447,808805.983041874,580697.334292277,528642.424359312,718364.026534556,910395.02082685,3176389.17892272,1363354.89084375,1132448.32042358,1046073.73951595,1074185.03914168,443933.095346828,1119288.68358019,3851756.14990351,6847949.43676464,10198288.9264855,2275683.55737812,2309016.24407773,1716966.56453857,5086756.15309269,6058684.22785156,1465160.47249273,593272.032648964,2695299.97470782,5175771.9708688,6125235.75528335,576680.651799107,2148526.67691687,4290094.90272747,3479936.14231263,7238863.40456506,1722469.90082682,7570425.15687436,1892853.62856149,6570461.65653981,3139791.73893542,8923310.22068516]
["Guanosine-3',5'-cyclic monophosphate",0.977128615384615,null,null,118.033,346.052819248862,"MS2",717115.644082887,782896.92117167,11464974.1678217,10617306.8651796,3987174.26402011,2449599.88841518,4197636.08112328,2088287.71421623,6017034.16391819,2630867.36936628,4079712.47405176,6118897.63835115,6050649.65142858,10426937.9190217,8195588.58618455,1428123.38158395,9252284.42547095,6336622.12531788,8357614.13517442,9739458.24566395,19713186.2551172,7448180.18534912,5115946.95160714,165655.499221518,0,19991.0784956396,1308469.41839023,130434.213379583,2684894.87802794,55651.4584361513,4295.69353959709,786001.213753002,6695.29298605341,1925221.99367411,6764053.48443409,881374.759373238,408094.935428105,37387.5133319838,13760.795532876,945391.432796928,1177357.93864063,35659.0796751275,1844293.02782878,1637469.77323661,2116843.30747183,752735.140728439,0]
["21-Hydroxypregnenolone",0.976861368,"Dichlofluanid","23.3551750530458",392.885,332.230706049654,"metDNA",7736.89220211983,223234.316464392,241329.222662033,110276.325127675,382558.144054687,216316.860471643,270476.005681235,106925.234443474,870293.122881174,379367.0823675,482625.218108181,1660837.21811357,1125010.60510974,1058245.36618032,974595.011434891,592092.158686422,1594002.7787194,1599456.9792935,229000.842173633,1333229.63607421,2347487.320827,504423.314881613,826039.161861929,23410.1868262768,337299.025978432,15116.0150509894,18701.8467656136,11092.7088461196,27010.1513983011,27756.4917322879,80252.1182959584,370079.501520043,667906.744286946,40028.5776867087,8141.85388963956,54735.9614949608,39970.6690905643,74409.1712158506,126308.90045227,117218.638954101,30872.2022671938,119628.191047776,23878.2252664745,14991.4708321226,30776.8398852539,13666.5730005956,28377.7958826947]
["Leu Lys Lys Lys",0.976746076923077,null,null,398.285,516.386670812122,"MS2",383718.602838645,430918.338462093,477658.861930278,860420.119142949,436692.056588818,407525.500687499,1071406.72257589,537608.295846578,1244048.12615162,1576870.87315179,1244055.18725431,777998.845446387,723641.389595704,954599.233540179,1310564.32625755,1148037.20189136,861707.196597525,857512.322628124,520926.755877407,731501.003838095,814587.163926458,1123519.83487461,1060763.97725037,305421.421198069,368984.684504885,400659.034522492,401545.877545531,492254.195239585,430411.064960577,711096.518192912,399123.285035043,510449.162615018,938452.41908284,417209.705953185,560735.934629463,491203.222883084,412335.829914411,357476.832179613,310331.917630032,427172.817411289,422097.364043234,501727.02844414,430970.692982142,509285.388896124,415488.307988975,582548.616502345,428388.365242188]
["4-Methylaminobutanal",0.976378076923077,null,null,530.546,102.090827869818,"MS2",58344704.6601013,68133271.2098386,62193589.5402541,62049985.3202495,76873632.3429638,41177371.9980011,56534751.4799555,69591630.4771423,62507743.6914376,61367303.320637,70282049.6659241,54990485.8979567,53600155.5057974,54391814.4455615,61938979.6943498,60260491.080239,7336333.22983408,54071232.7887989,40332745.4038878,65843902.1001884,57704081.9889368,73662444.5374639,66907184.8370694,39200570.7765741,4262563.08428999,45789584.8423419,17862145.3684972,74532670.9715898,10319006.8796481,49902402.0608147,63649787.5849698,74394799.6849853,69633939.2303131,74879656.7273521,73487005.6639826,70922831.6482943,71466935.912429,7829403.32437505,5493705.23185713,47324660.5296428,43220317.2364633,7493290.46351122,77938835.2731576,67380163.5477547,6588073.92963194,73037222.8758808,124743004.657123]
["cGMP",0.976174076923077,null,null,59.67235,344.038105134226,"MS2",2685715.98599346,959209.762745277,2487815.32307344,1548327.46793206,1670349.53352779,1046455.61031135,2562822.15723794,1576835.29569433,6152148.73008522,3015987.5886984,4827062.85542683,1824065.80179112,6969649.17249286,2469200.86289996,4367719.10658851,3191566.28028788,3053271.32512559,6106956.95328837,4284539.68722732,5476642.05115329,6409765.2156055,3953901.31438611,7100685.61464326,2562324.2988206,2182276.36025471,2396561.94166211,1634572.14625337,765234.695224831,1319280.09294559,2945546.59131456,968071.823080915,957235.903457625,1643418.23614515,1066791.19320013,7007786.61860069,1074611.4586285,2829675.04301994,2246965.52257761,1294685.54390369,1102372.73766517,2099895.19203039,794042.24712571,1282218.92008945,1513860.92925414,2130751.41025767,859272.766154059,668182.998983394]
["AGELASINE",0.975614076923077,null,null,366.965,422.323696192739,"MS2",1109523.25485547,1558683.62116071,1039886.06206156,1564603.68690651,1487947.23181966,937786.111644927,1357997.09653209,1454852.81941071,2568296.30185106,750948.890946434,521244.170156249,797294.038313275,3422717.04825098,1325169.98162254,2553844.30311956,2065895.74413072,4479576.37720625,18747301.9783945,1974004.941403,708542.525554695,4658540.66244253,936025.207424876,1702171.72647321,11019828.7433516,7767664.33914689,700720.79240156,2604047.31152495,1016456.04658929,2785931.27755923,3240017.61575737,3161270.56550927,1530429.7540158,501299.040642965,1054625.03051124,2470523.19229999,359411.814600783,988624.182813147,309948.816387045,585785.869660661,2167756.42825391,9405690.65277976,2384287.95277279,2900839.1747312,1086194.71292013,1296869.36854076,2900151.58609439,2417448.58011511]
["9,12-Octadecadiynoic Acid",0.975196461538462,null,null,441.843,275.201133213276,"MS2",12577605.8944018,16181156.7882079,27041103.9275091,83945992.7221543,21765651.2876324,28239679.0247904,1486633686.19098,26729227.6852368,1433581964.7496,219305668.792285,1032169117.44539,839449484.80846,250153910.194382,1087889845.61662,1944487728.3,766107639.111748,1664763323.15348,189447021.600108,168868058.513227,92539095.2184188,528543184.248977,605560735.922914,110251304.828005,18359950.76652,27923951.8431391,17245993.528904,12833801.9043853,4979293.99648488,19658966.3511719,6781778.88395331,50154291.5692226,26012973.352367,36151687.2949577,27503194.444961,56580812.5753506,29005908.0041479,2681030.10526882,11755873.9541273,18553718.830916,30420940.6804092,31403071.8490945,23006733.3550871,32457463.3006995,13381030.3515034,26900493.6722588,10737166.0932206,20336417.7068034]
["Oleamide",0.974950615384615,null,null,706.97,282.278199707881,"MS2",33876830.0267699,41129728.1210214,31932828.5925461,51853396.025528,45230009.9633331,20451093.0694417,21047707.9106406,62874742.9082108,36903041.6971303,44521656.0544936,55746571.4590434,56142292.0508783,19627576.4422103,41365141.6457579,55214109.229442,57034192.8887634,14756877.1635884,24072676.0231451,25293655.4358304,48695580.8515487,22533054.8076467,50747784.5964277,45858609.2530399,17496896.0149784,17245371.8802858,22290484.153401,32887089.1266346,44114593.0027677,59756724.3201865,56896624.6457141,50694124.5706915,33457554.4643771,43746796.2875401,25448727.5648198,54577901.2443454,28844610.7489447,41049312.9163553,36402301.1515247,19143999.8255209,20136448.52211,21421126.5962707,59520334.0536242,33150155.2673862,46694708.5513168,44327599.277706,49970186.5677776,47293267.2791364]
["Chitobiose",0.974865923076923,null,null,55.06915,425.174140661313,"MS2",6215.98635688797,11650.6085250929,0,356621.421281057,5713.11442093331,0,6494.87210536072,0,0,420300.330399139,9226.59360268058,0,0,3569667.41331719,109711.60477927,6438.50139024418,0,19232.4463964518,78299.6663611198,8463501.95890124,1326580.50115541,5533636.47552177,1176334.70512446,0,0,0,0,6075.61901444666,24768.7997341459,7024.25476346797,0,0,0,0,0,6983.99928684235,0,0,0,8814.37548476943,0,9153.80664521872,0,0,0,0,0]
["5,6-Lipoxin A4",0.974371,null,null,346.7065,351.22046418785,"MS2",680083.624776259,751516.49503125,19803562.8100951,12773492.4409239,1080983.48810413,5037089.93869035,47326495.7360194,11891885.1327296,74086768.5522102,101764987.716106,46070297.5555722,26314181.2744974,24850362.9785883,48712866.328031,33256408.2556589,32950819.9451077,55348312.4651223,29278078.03934,8585256.9066015,10348745.0700871,173998595.24545,17804715.4559405,37642781.6532121,12630848.5062807,12807652.9058649,24882714.2045878,24339771.4551603,5184222.54830104,239594071.966933,72900159.447248,39734794.6407361,42303007.6332402,29663728.4850959,26696896.1374176,910538199.897596,146769956.71841,2175991.11869866,39398443.8204871,14250085.1237299,50530041.9710821,19274186.0381019,45776502.3779627,51454140.5649026,57989903.7999139,623192940.026905,31412039.1786497,38755286.1692669]
["Caprylic acid",0.974269384615385,null,null,446.928,143.107494656517,"MS2",6473382.91889435,23604258.3325715,5486987.48249276,13610498.3044706,26997933.4054947,9726407.5712875,5972815.19492849,24127455.9396406,22134860.6298084,16849011.4531965,17525695.6854019,3237701.31271354,5920843.23407745,21658403.9257259,17988948.8362617,37193100.7215149,6130168.95184851,6491464.55909808,6298991.15171432,17466751.1008596,6464226.60019498,15192065.6925516,18895471.9556961,5881314.15840578,5903419.81791925,5916910.14915514,5295433.63216909,16937864.3042799,35227633.3611429,7070792.50361967,15797052.422905,40876429.7924998,20455690.9379141,6474705.99561768,24253078.6210625,31708337.4158199,14799488.6628513,5774053.29117751,5954931.63704602,5983735.45285265,6175476.17448878,16981294.7709306,21602116.7251053,20176792.0330833,16214593.6957887,23980010.8516563,14572875.4214294]
["N-Acetyl-L-aspartate",0.974238272749177,"CV 2961","3.68036083635277",360.787,374.089149670861,"metDNA",15459.8809584817,132828.869130238,7211327.96745562,10032879.2497901,5560756.97610971,20115.1606499994,13563599.2122242,1651966.22285001,791879.915624995,5191604.81148215,7219486.9605182,3693862.52154449,18206317.742483,11305931.7429187,3903410.99992826,16016426.201692,2577225.23871428,610882.510781246,17161635.6974353,13687905.3970617,5936262.38550651,1791578.30230531,16500567.1028101,212563.842144846,4305755.05320536,1381755.90358929,1962135.47308508,1952061.07442386,2628910.39382953,9646612.33750851,338284.531974496,2562751.05194355,4598197.59772414,2870530.03355486,6390913.1225383,3623790.81578564,133054.678652257,451418.64557347,312125.433417772,1706036.11846813,8503229.94638032,4708639.33201331,5122589.40772046,900829.842830356,3574609.03430703,2959457.05644426,994068.302428175]
["ALANYL-dl-PHENYLALANINE",0.973666307692308,null,null,177.337,237.12227275851,"MS2",198049.397662063,294888.844821484,2683354.15185268,2378081.05506366,1268733.52927571,1851297.63818304,5367032.57003419,1183724.84024874,5188620.61358949,3629570.67783875,5581651.66387931,7609045.59902971,21188798.5701669,12020243.5992047,9634706.31433744,2042968.84031876,7226688.08616797,9648267.43432669,6360927.18586378,11839200.1778226,13235785.9497287,9140121.43678681,11105762.385156,153155.392492345,157757.532117729,193364.96073511,165672.270000617,101627.943474816,102015.968791155,146556.946389241,68970.4153363664,140064.981946239,132361.022994056,69558.6044387571,75308.0456398249,101895.960506575,123711.699695985,155074.503395912,219611.842845306,143685.007084386,231884.784508923,67616.8976878133,82175.5918611847,168314.068135626,117758.501573302,54737.380384294,58103.6819711009]
["PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z))",0.973366461538461,null,null,471.665,802.531321868107,"MS2",13796969.1976454,17027487.3688775,18194836.047375,13773234.5164024,14830085.7309694,18796890.9595555,28286224.4351699,10338548.1615379,16626864.1165714,16295859.0822857,12046127.4806979,15667627.8187244,17066541.7165577,21873240.8285596,34963547.0852618,36502850.9931428,4750880.27365176,4094853.60255094,2287949.11147826,9167932.89026378,27477173.4454285,16580926.2999943,21863054.2565795,16385351.0321459,14637530.2869075,24067827.843807,10956335.2411055,8068987.71193829,10518124.19275,11497008.8080138,18062266.098734,15553362.5213069,11815029.4988516,15028590.9416363,21597548.3423375,25239096.4593871,7633462.95172836,11746978.8174867,12430399.4937054,26785330.3755,6840250.38365151,9335389.55425953,12363723.3294389,18242903.2274297,21131433.3425,15137588.988,11982359.5337832]
["maltotetraose",0.972950923076923,null,null,36.225,689.207065623074,"MS2",0,98079.4366928836,103526.912666634,25566.5749815215,0,50607.9984578068,1610033.27693527,94450.0477233529,334413.342057748,309944.152873099,3050651.07869992,2449574.06985607,1416773.22942292,1498806.51548715,4551294.08053125,2167360.62342422,4850625.45407143,52700.2622354166,1572945.82952012,766192.470645507,2369675.87340781,1747669.87506102,694208.298337254,0,0,333419.051877544,189957.023523549,0,290525.782180496,0,0,0,0,0,1202149.78403882,371894.629178445,610835.549968561,121454.441050798,296560.547040472,2960129.89663393,1397357.62959185,909241.036191442,2098761.1762057,47311.1020302673,2296504.89049458,0,0]
["Hexadecanal",0.972744076999999,null,null,481.822,264.238973486718,"metDNA",85228407.0737911,86782635.2989579,122263224.07576,100309267.686668,144954107.437679,106795484.791162,84792756.2092467,141072393.61591,83826470.99663,105588769.964444,113801738.748141,104276980.196327,88144751.3837833,91892653.1128126,94543284.9417505,109981678.757475,132597363.767143,115829424.883999,120987042.468152,79607292.2240262,83659553.8943391,114988997.659618,130186743.982413,99161907.9451626,103215188.73562,91748135.5573625,139078696.983806,55538465.5890544,149755436.959259,107354698.778093,95915076.0234531,85996984.9105169,103659629.335553,80523730.7824484,98706454.3894876,81182691.862793,147062374.450833,149639194.54376,159150527.941844,81785120.5805132,108756709.932305,151792668.602076,96989649.1125269,132201210.338492,102282655.678783,79053902.6286941,91116321.4186388]
["2-Propylisonicotinic acid",0.971383769230769,null,null,558.9655,166.08559868377,"MS2",45740255.9135625,9258372.75003232,18019419.6595981,18478950.4674182,8558869.10725001,18159170.863955,40011550.5199488,20631622.6406708,29442203.2759441,47663410.8664485,10232647.6589999,17310892.194849,19887953.7588927,22467170.9911455,11648155.8286493,16883186.4515387,12839698.9197499,10113716.7330208,24214794.9144459,12209791.3150482,34573891.6771712,26047106.0912722,15565193.2265333,23490241.7719512,20335277.8000438,20534291.8417191,19804744.8370534,19266761.8814063,21000902.0556577,19607270.065462,21280433.4227601,13766183.1952305,9250673.7732383,12470993.048702,10764828.0309562,13518794.0221547,12209196.259323,11895979.9922625,20902754.7036621,22088624.2411296,22147331.599239,2370416.23419998,18766380.391964,19690522.5008144,7513403.61547504,20385574.7025725,18603356.971635]
["Palmitic Acid methyl ester",0.970954153846154,null,null,695.936,271.261764312959,"MS2",4716952.28773671,1290793.14578126,8006322.12621428,995545.156250026,2745310.80873077,1896089.46428573,632256.599750016,5130396.8894948,804848.639833331,16917902.815362,1113874.79678124,7895422.73185714,4056573.16920955,3393739.47215627,891376.530093717,6458696.67080627,396805.653635415,315027.974708332,585747.086924995,606412.284843843,4010157.52521426,11036326.353495,3243844.76033329,2120297.45800202,348149.586791676,10957598.2631682,645602.47289585,1333938.55411249,6041231.02252522,533128.068437468,5524316.37366933,1019116.37576874,3615038.33142651,5092239.57723856,5592818.58245965,7746574.08927494,6134120.06530704,5200166.40146181,1550163.73143749,568394.317187515,3542401.76559473,6824135.72165941,778487.110156204,897467.874500023,6202183.62238428,10686514.0420427,4963266.61907139]
["N-Acetylleucine",0.970489461538461,null,null,192.5335,174.111822401046,"MS2",3270299.12129459,9645442.7873295,2989535.01131836,4990052.20896528,3807147.29714616,2432377.73627409,2289077.0930013,3541533.55170651,4547712.63201428,4335747.57109532,1714693.13663102,3742026.76288567,2396916.31763694,6581842.81788656,3289715.5619005,2416047.40535557,2339525.99160129,2392198.62343158,3271693.8045,11169600.8505041,1455137.15775282,5901018.93336107,2214504.86089209,3022501.15507536,2308338.63818681,1795405.01237584,2454901.92116449,3287097.86964128,3986737.86394795,2383676.62010536,3297707.60974926,1854012.55483209,3801421.81134439,2148131.72660043,5392568.7963392,4027947.66481251,1627301.14576351,3737726.77193729,4606362.17749335,1693583.42481572,2470190.19905696,1424446.37241369,9952967.14366375,1974658.53266998,5766089.07319416,2299502.03241423,2884178.32954346]
["Benzoylagmatine",0.970416394999999,null,null,180.7505,275.169006480278,"metDNA",201328.529157997,146138.361261201,459300.628679102,566147.796929731,554641.893402964,92253.1927127181,77355.5201869356,399098.363664743,304823.829576257,360813.774141603,71411.0448092828,291882.52204004,70766.5996899686,520430.057317708,323977.445662959,239129.908679687,311533.860383371,256948.766372041,384441.264843749,201207.577774658,202747.095699014,630023.371110938,347035.286583049,238212.849459527,285952.980136475,97654.766235403,257941.193605273,398633.01373807,381838.577267324,254823.215411376,523652.894706652,110135.046099301,240953.23974155,267237.359615355,142016.594700195,243855.484833771,155922.436438379,367916.945024921,176889.958502465,122100.172368421,212176.817926595,91314.0783618164,375679.298544774,309922.454509428,277885.499444197,307534.633544211,461595.917553613]
["Phthalic anhydride",0.970203461538461,null,null,180.5125,149.022776290347,"MS2",21876458.5711031,24940878.2078056,25254088.5222071,29842852.4664193,32162410.9281559,17706748.4221546,21981555.5779286,24781304.903875,27426065.5479009,33070159.3691219,31426465.4394531,19271411.2644058,12741882.0138622,31178198.3449656,31990909.0758902,35050193.8008213,11788314.2347301,9655073.52983334,11981495.1574037,31779435.1878096,13103376.4674542,31664755.9515224,25618426.6413727,13991827.1820863,14400361.7526421,15235331.87045,26146382.2800921,36017427.7001902,38232014.3913837,26434613.4429107,36622881.5929789,32219068.1668988,35672149.1261784,26651001.0638806,18454398.08275,30773558.116352,27549870.5746764,26406477.4402987,14159767.8514214,23214621.5507728,13565024.7402008,36153571.9863722,30900983.5655834,19699437.6891137,34067688.3335765,8043164.93314292,35609922.4185998]
["d-Dethiobiotin",0.969894307692308,null,null,57.8289,215.138100032971,"MS2",887199.368551176,608168.254789867,89193.0531836689,623004.033384458,607465.010539807,767437.728621562,553269.890127538,2677351.80517214,491319.521284526,1046341.50748071,894238.4151,589103.661574102,1871239.72399434,1654651.61791248,698520.683864746,1181076.00818304,1112664.34589492,455510.226846161,1473146.78884935,893167.550822119,1743587.9918254,899082.217802409,760623.612659961,10223510.802413,7178221.142595,14035193.2947676,5869949.67573953,2221409.41465404,2369303.28833885,3910962.73759385,11769279.0700179,6877460.22446228,5788381.09489567,10711141.9622411,7665719.241898,5884908.38869176,3302638.92202242,9937743.62248325,9237399.42040693,4620239.56671678,3076507.98447582,9073728.39946626,5719130.26954674,3718467.78563609,3625250.43023611,6094679.38200288,10250490.1794575]
["Betaine aldehyde",0.969783769230769,null,null,498.566,102.090844275049,"MS2",5198721.7010956,4735270.86482226,64720304.1946899,58927068.6022331,61736273.1916779,57338196.2238633,5386318.24435712,64290923.6417112,74914306.9395168,63984270.8951878,56033074.1276671,9795912.74764374,55514059.2667831,62346034.2827628,61023042.8744286,62672158.3405433,4168786.01762707,50966338.2071082,6024624.00432556,68346456.1135254,61359361.0256232,5279159.50466472,68617228.7566395,5521120.22420673,11792956.4364928,67850086.6186046,5828592.08677387,72565649.7245476,59219373.473632,8540417.38755497,63463366.413931,70564950.1109625,68559468.0554395,81465311.1342378,65087567.3707704,68866107.4803098,5848141.02506872,67825986.6532403,45336799.7784194,66258235.1185631,49957080.0869657,58732014.5399867,71338444.6304556,5005437.62924264,69905339.0495012,60019401.6048319,68360710.8105642]
["26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 / 26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol",0.969714076923077,null,null,479.139,441.295093293985,"MS2",0,0,0,15936.3685924689,0,0,8758920.6751953,3636652.61656199,4669713.65892521,4668300.34478574,13199927.9072951,1750669.75104251,1541077.59069643,6895825.12241928,5644515.14466191,1361430.16633929,11192545.2948219,495515.391497658,39114.1258152008,87129.8562262456,1098417.36681974,590806.124939394,644960.377004862,0,0,23570.6863804181,0,0,52997.8496006012,15844.0378255725,0,0,0,47767.0459605694,328135.384576964,0,0,0,0,14485.7189560841,0,0,28332.8276604652,0,62481.3076333682,0,0]
["Acetylcarnitine",0.969460923076923,null,null,57.0221,204.122216352795,"MS2",1268515.94208711,1095226.70742871,3263032.02073545,2803365.04668444,1803381.09364535,1451292.77810659,3260451.27652811,9804564.22378771,10921223.7684186,4584281.67641623,9496331.67178267,4339576.77534569,13499960.7340121,8193036.82630316,5980385.78175957,4920110.24162028,7259259.47489621,9295282.16035645,7107799.93878761,8984768.77133466,15062170.2003962,3614445.41827789,14412307.3212857,52216840.988905,43787597.2611443,33003677.1445625,46863134.729049,15831161.5816075,24471258.7363281,39215175.611373,82565060.1935439,47705714.1951258,21445806.7966817,32876207.67225,33005606.0325216,24472007.434236,14696327.7751916,56549499.0322471,65255321.3918695,79617607.2071768,31254257.2541547,51153552.9524577,35071278.9276594,30632608.8121601,33303095.9491438,31734834.1854504,45990576.6451991]
["N-Nitrosomethylethylamine (NMEA)",0.969226692307692,null,null,635.2925,89.0721196856279,"MS2",37282543.764782,4364317.46378226,32293311.8900583,152597.749062491,2005407.55093978,1799656.24763607,7112739.84926817,14993761.1322986,6781791.12833108,2077548.86029643,306235.379250008,29491055.1934662,28254080.7085419,4915349.5813521,15120582.979739,2009659.28434624,1841310.97589488,5579843.99633626,3663771.36318281,2467267.08044085,30610306.5080368,2374676.5287064,5854125.86295529,2290134.48217746,27384717.7723961,35993519.906113,38190268.7973676,2437393.31474658,13803190.6706449,33636936.1808233,2387449.38067266,32932359.2547082,18186187.12625,36679695.6168073,3441058.86626314,2310585.60187807,209647.48048177,36871412.6996998,5159513.93555351,34773141.4237427,4869508.70033928,3415633.29834997,341517.451515622,35847835.2144947,7088400.88508694,28151304.2691652,5905560.97038462]
["Gabapentin",0.969180307692308,null,null,458.996,172.132462466052,"MS2",38525488.7156274,55212549.0712267,41132416.018875,123007894.542,67248968.1484601,52564606.0671455,44741130.591435,60593504.0824286,70108905.0951111,30615190.6987604,34020968.6192741,42554670.2641806,44796614.0836945,64090864.8338707,39494870.0489515,40212529.2979168,43715652.0738104,33145866.823755,42479044.8590186,178722452.075143,43282230.1744443,74520536.3659584,47755504.0494689,41195502.8323333,44852595.7433426,42054196.6135904,74956491.1556605,35191718.9644401,35164841.6701924,41113092.1180649,96357585.3440051,37325407.5641205,37177211.5321298,37496355.482644,83017259.3124999,36438434.7021636,40512323.1657177,40014412.6035937,48568496.7057411,37308664.3851202,43828090.9530983,34496838.7726276,208223453.159429,35050099.3719328,89055730.4268711,32845811.3430723,45689075.7769236]
["CocamidoprpylBetaine",0.968744923076923,null,null,333.183,343.293726160957,"MS2",1119955.23032685,892350.755814319,1586579.30210877,1445488.45535795,1626331.67490101,1290124.93678186,4109471.97048437,1670937.80326576,3026907.26961756,1836796.55789636,2920672.95377034,1789339.32919806,1621784.72898398,2728584.38149822,2568899.4247932,3160606.25198167,2154119.02059432,1553580.58935566,2093492.38735473,2096234.44137298,3155238.67119361,1756452.75698285,10727738.5241604,830862.117242188,2271674.61759247,810058.050931202,1098628.79234697,1824094.40919695,1181686.38161399,1284935.6183039,908553.336674143,1296933.126403,1627104.65229713,1093174.0368134,2629776.23953026,3151819.20016758,598968.658220052,1138995.76081554,1681869.95697925,4821981.73391299,2688229.3363639,2591393.18508581,2747922.4005683,970094.135479003,1814610.68931861,2766138.15208333,2284141.64893762]
["15-methyl palmitic acid",0.968538615384615,null,null,33.79045,271.261774858315,"MS2",7961046.90672925,9197925.52534304,7409152.81538257,8474868.29122806,8787752.07231848,5351076.61646125,7628615.167006,10816456.2630833,8096859.51376814,9198533.13095663,8338620.22207821,6140515.1604832,5968758.1364918,10259726.5890585,9385467.0065121,9486299.66068862,3642642.35113361,2916773.49225159,3884416.79031675,9930076.61465167,5065282.07779836,8834535.89563198,7102440.86308593,2999354.0151035,3501685.86741489,5887018.23944516,7887868.36298634,9703237.6544169,8366363.76097476,6495818.19958689,9090103.12598175,6408263.3004468,9263914.36020313,4664201.87962984,6245891.75738995,9650297.14657587,8423774.34902807,6735305.20509503,2760294.526756,5795424.4430344,3071023.05329337,6925083.61068418,8683415.09450873,10716844.1489475,9625946.05147148,8653546.48475433,5091684.47199983]
["N,N-dimethyl-Safingol",0.968382769230769,null,null,375.05,330.334903369143,"MS2",19297706.72717,18341954.7429865,27146707.9572631,13965680.5545917,40886462.0895991,10284576.6048265,39516421.2616728,17836312.22554,15750966.6453087,28982592.7633965,17911614.1780319,14571141.0295344,28589066.3800245,15132114.9046205,22500819.6069389,16851107.4960307,23443315.0625471,21145929.9171506,20235089.2156477,28159586.4476738,19334983.5678931,21689217.3060073,22051134.559792,45967096.8602611,20086639.8634141,15498195.9469015,17844940.9455215,14958915.3591429,17512280.6953478,24337434.7401547,22828830.0048483,16918287.3729516,28135102.9391489,17448733.6813468,16094318.1786857,26436921.0356128,18332464.8466684,14363272.596975,27654535.6208462,29185248.4229584,49789444.8233519,17263029.0030947,26163888.3531685,14837229.9088948,23414083.0675121,11875772.5157086,13181877.3462803]
["Methyl sulfate",0.967564769230769,null,null,492.93,110.975590491455,"MS2",14103906.8829117,14581599.8586964,14524825.4198053,7035006.45276719,7193309.95402174,14945581.1538737,8755376.7510614,13851738.2312054,16090794.9547161,14482924.3591488,13850832.3062969,5757315.05902024,16970779.4930964,13893246.1343979,12554159.2630129,14427078.8548207,16565831.1672663,19134541.9860032,19375172.7710204,13904772.4027883,16492748.0305794,14060672.3520718,16228676.6291253,16318398.7766555,14306516.9736309,1100309.60693752,14755413.0638169,13648502.1341342,13731115.9040292,15167695.3179065,12728640.7812926,13714812.3632972,6189096.63320311,14433930.3608036,13500139.375767,14309986.3772413,14153396.038901,14909173.9812321,15378116.583365,16280208.0942793,15875641.3094622,8489588.64812845,12672537.4014107,14266628.2206964,5456187.18138306,9135124.07223497,641872.98765628]
["1-Hexadecanol",0.967555001,null,null,509.093,266.25483538448,"metDNA",18437719.011564,29148057.4637681,28708322.4878742,4420857.24093759,29414267.9975326,10861870.4254535,27136175.939019,31920451.8348563,16750455.024609,14731086.4259464,18835094.0004848,18769055.440208,26225588.3092924,29554374.2850804,30379626.6575313,28542171.1810531,29890669.4395275,21631153.7620478,29147454.0468203,17109105.5165988,13702006.6343438,31550089.1261935,3218882.27062492,8034414.48962098,28479135.0071095,10396104.3461037,20656201.9701022,31199836.1881355,32202225.8764207,17744114.3395982,18246334.4313793,27845462.6950499,17918341.0033601,17014671.4870871,30025895.1404643,17941007.9912143,9134792.92570961,21841929.2739922,19220119.9593597,28849070.149097,21822154.1515143,10848967.8875625,29223247.9146159,11534228.8284994,4185150.97015622,27832344.7818934,17701217.6784875]
["Valyl-Isoleucine",0.966799461538461,null,null,175.6965,231.169306809481,"MS2",1054870.62927422,3274453.85960812,23837245.7954741,15876493.0718869,14516174.5448538,14826764.8897432,45956471.6102744,10668454.202835,27903798.5781771,23199733.609875,150647441.046341,39146186.6197262,100735930.042183,41015547.2632083,30541203.5673594,9024125.02993127,26360782.2939607,45591880.5525312,99192964.8858924,41297208.5079259,34666448.6845345,46207776.1327,87879075.7135645,3936713.95265377,5091280.47192174,4691780.73262753,4239226.86838393,2979304.73962798,5016672.83185714,17783861.9069563,2580638.86742909,5506030.42363488,3383382.8166591,5005662.48698816,15964640.4040726,4513527.32733621,2540466.89537024,4833008.45564875,2911778.14867854,3872579.38745581,7488479.13595877,6409612.37492414,6670911.04902845,4673003.32896429,3703320.0434111,3805410.2368674,6497935.28923482]
["Pregnenolone",0.966373307692308,null,null,477.791,315.232400927019,"MS2",1484975.14829476,1152363.3495216,1938532.60166165,7674611.32484068,2150093.61658626,1228933.79630357,423707752.771036,15600426.0216392,232363866.233206,102923346.560137,358240924.74801,187310406.939463,96726133.0010971,291809733.909414,408169248.08389,157670093.662717,450607843.75868,106369594.678905,29654223.4369195,16310301.5829671,104609228.080056,87423915.8063141,29218229.8048316,11301615.99288,11788945.4611666,9893837.96630359,7199090.53778568,1724143.14668865,7888705.74264507,4703106.20429383,16949581.3461983,11741226.3349618,17298767.3163449,10653725.6990357,12413632.7056371,11336365.8155892,2905555.07450357,7089079.17279458,12054330.4310425,13633727.5512552,10368428.6150338,10871512.3809356,14525491.7668482,7951568.95301787,11479340.0071641,7228061.59881697,12701834.1188391]
["PC(2:0/O-16:0)[U]",0.966167846153846,null,null,472.9965,524.368483221509,"MS2",14932.2427289279,17096.9085527182,28387.5786369959,0,6413.35067554447,27074.9562189738,2528273.65009405,986792.759758928,1023107.70872819,3806556.56602232,1966196.79582642,1056504.72873215,6013376.46274258,1208159.78453987,2958140.31093468,1800006.24399133,2436306.47951786,7846996.88417968,895298.7979486,686779.791276493,4541623.01353804,574480.589091357,1227589.91666075,344307.427910271,3263059.77804631,1669104.23741518,359826.547276427,97844.0141671008,231413.236471354,385795.257310758,889760.081899286,2846755.06523077,4349308.58283268,730801.973503443,2373708.64678934,188023.293374795,16193.3491361141,218593.788214673,521403.283765867,585637.49257682,921523.780104129,1192561.44927792,794536.560773982,949905.377238004,1078193.12454128,676391.37604194,308876.661158548]
["Isoleucyl-Arginine",0.966147076923077,null,null,153.304,288.190873690673,"MS2",0,97886.7175093833,1704155.10701378,1423104.70122322,485543.541169517,314476.947803571,4309862.1458446,1098155.77616349,5359040.03350201,4017981.26027379,1371243.8754537,2870313.9555022,4441634.91863636,2417519.37066081,1752210.85676875,409710.22654018,2488669.13220733,40487114.9134175,3912565.27864982,4685044.26163586,6306294.51011209,23638713.3532841,3757235.17244618,0,56875.3846966514,30538.7381358249,36815.1654725075,13194.8868979983,95980.2908039134,848770.68623851,7811.48298869133,24219.4568109761,24596.6334952241,13921.8668042541,133185.639479876,73579.6668533881,16903.9393449913,14528.3615727135,4760.57981812013,23747.3258294106,48329.0308959153,78573.5789333922,91421.9027674454,85730.4799616933,36198.7168564705,35707.9793537831,22016.4915718849]
["8-HDoHE",0.966075384615385,null,null,431.272,327.230103767684,"MS2",0,13718.1810785721,262927.985469439,1239291.54729669,34956.1493327192,12529.9257182365,2067295.25580168,798121.221671015,9421921.64552962,6097985.77037341,3144539.33406251,5224527.72095711,8179227.11230469,5602893.94076667,4932329.49445379,3163318.85886831,6426558.86296484,10223160.8690625,1406667.82964644,3312288.94885362,5845873.2736043,2863633.62137891,3703516.71246874,116433.320430145,2042902.54193502,45919.4652855368,133725.855050493,12027.8370345511,60168.8271259027,325447.042335627,520633.413895249,857117.363025001,3286069.08079516,76317.1976636137,101920.18068294,391897.623621446,0,260681.687775939,928289.428531821,707000.314189617,321810.249575109,865576.698720804,446642.69834404,122417.4129193,500751.492190584,125895.093341797,295663.268799503]
["2-Methylbutyrylglycine",0.965995923076923,null,null,33.50765,160.096137747355,"MS2",16418496.4313153,10750155.2049098,15493605.18434,14974431.6149142,10302005.7737092,7869102.37053049,10135443.0004595,36964062.9232187,14517348.2331428,14036626.2944098,21657164.280585,15436753.7082284,13305369.9929811,22528079.0987063,18282631.0048916,19500290.6400686,22552840.0319129,12935070.9932784,15178497.8261696,12859972.7635772,15783298.1413557,12757298.2846309,15814703.2570047,58286215.2403883,75658678.7936037,76200065.5329643,60134442.5292291,17695993.7285392,49772499.2215028,104293570.716009,57635231.2504424,90130376.7971518,101575285.073637,114932502.189371,162897013.445053,60367174.828964,31778910.2041722,66786953.8366776,73572764.0237132,67412594.9903617,48264447.5538623,76702412.1239057,65702508.9369692,39856827.0874736,61904876.455303,57821675.3040557,119612122.41261]
["2-Methylpiperidine",0.965539076923077,null,null,498.932,100.111519741881,"MS2",5404307.45674163,4977428.59763257,5326619.54082933,15750606.7940148,4853240.89087501,3719548.63648858,5141212.05162346,4781720.16771429,15167890.5766655,5248683.42065625,5058067.99178572,5290183.99998229,3460266.25815577,15019459.9174168,6512225.15351273,15612508.3792615,3010293.93131709,2160454.30328936,2858022.72520918,16071158.5537896,9746444.65184341,5185894.87799408,4627834.14372795,3345221.32425,3527651.90491072,5497415.97732622,4458280.78983203,15649117.0577367,4456578.51290626,12275981.7518087,5143011.61814238,16456143.4106089,4639164.69542047,4771526.85343748,3634552.35349521,5988227.40405871,14470687.4337759,13325698.5295065,14037269.4275414,17495503.493612,16398018.8196105,4101186.32214843,5352244.68332946,3899854.72124611,4997579.46557765,5172592.83319824,6017888.60925313]
["Uridine-5-diphosphoacetylglucosamine",0.965236384615385,null,null,36.44925,608.085347087818,"MS2",0,0,80131.3178163159,156222.918371245,20075.8484794096,0,86988.8427817213,483018.831966314,0,203161.908206999,381939.918184482,720224.766868562,265038.372976948,129171.17031373,248673.50200291,229777.683730579,825912.65496769,0,357820.429715745,383299.004600757,0,142989.225800011,0,1116668.89393622,1666894.121946,1489572.5250869,1625785.43682295,561608.89954581,2131632.23557005,1625699.5126987,2879181.16928993,3233772.41796283,4361085.98871385,1644202.56280543,6578903.93088984,2726563.87047136,371199.143735507,1744841.26331543,2320943.42144173,2236379.20015832,3757874.02009392,2290084.36201215,2271050.38243556,2015246.26856981,3281918.58117931,2259531.42138222,1121503.602352]
["Gentiatibetine",0.965073,null,null,524.4715,166.085609680755,"MS2",26318150.8027801,17442447.6750273,24947303.7658905,10275883.0355383,23266327.5053303,13611315.621315,20676449.6672004,16980672.1443719,13600951.5724066,18386409.079581,19702097.6819366,15748169.6948593,8493901.49177973,13847014.32565,6741308.05657675,19762406.8217706,33468536.748732,15793894.3690095,17602582.5414697,15079740.746349,14637597.7803157,19755156.7634035,14594558.7034918,12244147.0032766,28803947.38178,19928896.6533469,19452325.2177299,25298808.336039,17936134.1949211,18605927.5545383,8284942.30385715,7297581.06257137,14409144.3098571,17432684.4268112,23145242.5193518,17397538.2289637,18180264.4397454,8774864.61988512,27138530.1150502,19226491.9688156,11092527.783611,14471631.6922125,18234897.3206506,4790309.96380207,10476548.9596891,5877219.78056005,19807797.4108537]
["9,10-DiHOME",0.964824,null,null,314.439,313.237967086715,"MS2",1786805.57898059,2124360.44866198,1866032.9866221,2224130.9429357,1928223.93338129,1928227.13491015,1717000.28852651,2199788.65332482,2065329.35693221,2400521.93273027,2509534.64310137,1743553.25682433,2038541.85697377,2080391.87039522,2088321.89862233,2105485.40497919,1801625.08477558,1621382.67911019,1757892.28256919,2321668.14827725,1988640.88197203,2089064.13469621,2002950.15974973,1643264.1298125,1625027.19738321,1836870.78709365,1664047.58192393,1947533.71522505,1901619.06463425,1787019.47443847,2147463.16784355,2008497.31385663,2119168.81897795,1693290.33359533,1990519.82099555,1859202.71266865,1931909.06526419,1647833.43059414,1930779.56265525,1782289.6411874,1852869.88979153,2078928.81388246,1837691.77679682,2137829.4108055,1963223.18261251,2086285.66019131,2134958.95292188]
["Palmitoleoyl-EA",0.964783692307692,null,null,367.245,298.272554898693,"MS2",1509017.97575141,5037878.33545982,4101869.74810641,5308147.81523544,6919846.0601243,3438291.13938371,10443950.2461163,6555446.32885197,12713979.7225879,3849126.69693911,2653834.20189064,2502317.25062323,2974823.4876875,3060244.4226321,2484240.52324345,2744584.4568303,3533780.44209985,8005200.90001968,3502423.87357176,5818387.19022321,2571313.12288967,3323845.47286186,3944474.57655648,1792227.82572321,2293188.87593879,1695875.95601405,2841451.93819055,4119110.51574544,2847340.6996611,5680581.16343315,2023070.22528438,3833656.52960982,4533100.06841467,2005262.74030654,2957580.72921799,1781278.45160752,4110444.29539261,4855511.81220155,3085344.14120769,3324770.30037513,5523998.834843,5465824.42153202,4304015.31939531,2332101.48765887,2691432.85821429,2231514.26444204,2317654.77143799]
["Indarubicin",0.964317153846154,null,null,351.624,263.079724113869,"MS2",1141317.87725893,18779932.3029065,605474.47451481,695747.687142857,484133.768545752,901658.421024473,691747.476911306,19489898.9325634,624376.492750163,292982.949454479,451416.970486113,824772.25084647,701238.522582918,12036529.1597904,650361.287351915,845436.874483822,446302.698456728,3154645.41131185,722884.411588433,7060160.48391528,686600.792609533,565705.778350286,5750591.4043899,497039.525767965,777397.051994384,760765.191141563,761709.338176199,864135.640526787,648691.196993056,366441.268626563,841059.013901786,542101.419058748,563286.628842408,729784.735493537,420111.067130636,509696.492223902,1002241.37066805,567513.36202225,855461.93484375,545730.505047201,2218091.70577148,670652.490389115,9131247.82082718,556617.480830361,431475.695799635,103496.23132833,7867116.6023719]
["Leu Glu Lys Glu",0.964309615384615,null,null,312.715,516.270936555469,"MS2",0,0,0,0,0,0,151665.22168293,88880.3543058596,283634.113731649,406704.162022137,115672.458336875,90612.4479714394,29012.9392650351,59815.6788468698,64534.0440647841,110903.219220138,208665.989997082,203314.872951265,3658.70261462778,220794.770308895,295254.900798047,40335.5021278904,208636.504430339,0,0,0,0,0,0,18584.2861561418,0,3810.90790013552,20270.6552127921,6272.9551692915,4137.321497793,0,0,0,0,0,0,3357.55867848573,0,0,0,0,9549.40218746662]
["Adenosine",0.963349230769231,null,null,153.375,266.089088372223,"MS2",912894.269102679,1057518.94837585,3680263.89267946,3976950.51069682,1610554.36660351,580090.895065848,1704852.43424646,10230519.9650309,2074640.73418527,2794759.78153956,4372979.99313645,1000926.78228432,2079543.51165871,1616627.13291862,3403151.78575873,1449931.02663616,1664610.34402883,1051001.38008773,404304.297419093,769275.732874925,2289536.52525,892552.15923559,1287767.42529436,11441927.0826401,5838246.46177672,25678121.287181,10598670.4355107,1051046.0416862,8335874.62178201,15001344.2515541,3512563.35586139,8810989.70206007,24517773.7137325,6349811.39467888,30671621.1094729,6061035.79991783,3181244.30855981,13865679.5687247,17906187.3960324,8976910.13642517,3789257.67809697,6124363.18277544,5220259.7556203,4520240.64070074,25387592.8815168,10214058.8580603,15669294.3491002]
["2,2-Dimethyloxirane",0.962970230769231,null,null,34.18165,73.0643851512651,"MS2",33834768.6704379,36258429.7359944,33054147.4126077,32548319.8181039,30816471.0736677,39385867.7029349,32798391.1257734,35660332.1083644,24331178.6955339,29805555.5015715,37742434.0539454,32025479.8449959,27575863.3656387,29578613.3556656,34470660.8796455,29172930.8377507,23126346.2604682,18549413.0519925,21573528.5676137,30585598.0998451,28671453.4139196,32108652.3170273,27185237.4078526,24877206.2046087,19104667.1904569,22797276.6193246,25975586.6125998,30744082.3122153,27810775.8594398,27409756.8163897,26334313.5787811,23891376.4925384,31744306.6514183,22023688.4034782,25126563.2613201,25963498.8324668,34755073.0210015,34661842.9845753,21731024.5701233,22889086.1014046,24445701.8839405,25780329.8500142,29585927.4845493,28701208.4656612,29936981.4662133,26279953.5354373,23848003.8913803]
["alpha-Methylstyrene",0.962803769230769,null,null,228.5535,119.085056186252,"MS2",12978148.3786956,16682925.170364,10385317.4816875,18031597.7090177,24062832.1391637,10399723.7331167,20457613.2083365,16036815.0580289,10133497.2953766,13621599.6101678,13277965.5943177,13331075.8206439,10587382.600319,13511109.8181675,17901297.8435913,16817615.6028889,8638673.70837734,5995262.17003703,9385768.22081819,16980190.0995855,7712679.71469492,14065505.1655436,12510905.5896028,9862411.95080378,11025702.4342533,13710628.9610306,14845177.9270419,16215546.1620719,14695392.1399496,13549554.7770952,16042867.4872237,15642050.6688706,15596785.6467243,14085528.3704893,15120605.5284234,13762796.8642354,15071228.9606583,14644826.941458,10651964.379271,12738960.687181,10190669.9415615,15366149.340453,17607457.7579368,14644073.6508189,16389943.5526352,15936430.8764971,15638324.861824]
["2-Oxohexanoic acid",0.962593732999999,null,null,645.098,111.045064546656,"metDNA",1010433.4625226,893948.872816376,1026715.53656354,806505.974846881,887623.976553823,971448.280885342,986188.945535305,1049125.29638746,924535.856518363,1074885.01337109,965655.652488426,882660.244271729,1012999.36847545,964312.392056169,896389.46827149,913919.493776547,988446.892020129,1196457.45899144,1001285.66615732,890253.043614349,1141747.11117422,985163.880803181,902908.356740396,1078206.67341544,949947.376404792,988171.947985139,998590.426048178,882067.975633935,7590695.26437978,1053932.90240324,982825.617670219,930251.983086503,999134.086901793,1045465.95998069,1042841.98545915,1018365.58209839,1094013.47663453,927074.0506741,1040565.42790254,1051283.21964075,943708.62759615,935894.850703896,1058549.58837381,869780.244415176,973225.556560868,1164964.73585062,884405.749244778]
["p-Tolualdehyde",0.962543384615384,null,null,350.1255,121.064226711648,"MS2",32587145.4460375,33970269.4639762,35836592.4345119,41758600.9934637,33352697.1310801,30042890.7803227,38651350.423134,28754584.1555734,30704342.2239328,26982764.8414704,29076467.9878895,35174434.7528156,35936847.4073867,35458908.7651281,27960466.311707,31092847.1435678,30805873.7093961,30115204.9622442,30797986.4226562,32434137.822793,35435680.4468227,27300753.9432796,24789912.5762929,30133506.9957075,37147927.4208809,24980781.7932303,31245408.636879,32603601.0465548,27553721.6574113,28936198.4473384,34345485.6816367,26248614.7212019,30535079.6901992,27805443.0874342,32611125.782158,30378407.5087516,34132764.6816367,27512451.3987492,28924598.4700296,23629344.2928899,38579377.5515016,31566332.6411002,17931927.9089116,24589640.0625397,22321016.1392043,25584453.3274559,31051072.6801395]
["N-Methyl-2-pyrrolidone",0.962261384615385,null,null,150.926,100.07516770762,"MS2",5320625.03669326,4809206.94007171,5504724.08941308,5316300.32778176,4729662.21205191,5268253.44874728,5339069.27039123,5542676.25538899,4468941.82986796,5756664.41807978,6187868.02203787,6973559.67714039,8434663.12229919,6450913.56801128,6523238.151255,4962765.25313488,5968180.14236136,4875484.02703906,3919464.38781415,21822997.5791175,8893437.09557649,6617265.65668422,5969223.5403208,4004224.7244662,4046668.44884777,4773727.24274461,6448411.28771052,4988477.5905304,7056156.9585,5248464.03678409,4690858.38404455,9325904.70407143,4976982.66437699,7557496.51562499,17543098.8529638,8478585.79421453,4853939.67799418,5816202.41600473,4157926.07825534,6906140.6030806,4529457.91910553,5223655.50941911,7903269.72141941,5506740.68918256,6891867.36410938,6968477.57813472,4522656.42570479]
["Juvenile hormone I",0.962160499999999,null,null,368.321,294.215143393635,"metDNA",84301.9917411483,67380.9562896305,113612.910930682,139647.838087705,70783.5381282293,116530.893289503,893744.312303156,744355.855251247,3901704.4201318,932177.200113139,1297596.60695366,1646554.90313437,2376760.49345948,2783998.36809812,2671742.03335717,1603917.34105409,2731793.82680989,2305779.13873281,764312.306967864,4765452.66345103,9259247.92252281,1643635.46281816,2492525.03393906,144866.105209322,1168508.8363058,223182.759978584,374983.357377039,79423.7100460552,122765.546002021,161437.183225802,650257.614964287,1120434.86763394,2398219.2728164,166408.280378876,116512.627871336,489297.569449491,63323.0129789756,125478.507798279,1282014.82482589,1281977.11182808,160116.01394866,421572.707467505,282428.576847196,62307.68270625,324641.989526872,251947.194395196,355086.647641453]
["Sugeonyl acetate",0.961870461538461,null,null,438.235,277.178527830373,"MS2",2642389.15745555,3656507.53317871,2799544.00248002,3739185.00294699,3143704.48980302,2499208.23431249,2746757.95269599,3273098.62909822,3203873.49432632,3220085.82389008,2968175.03303156,2717848.27884832,2767971.05343662,3337050.92916681,3155619.591727,3184675.99961619,2349835.83391636,2381737.96434411,2571851.65761658,3298079.55475427,2461800.94073579,3147379.2913297,3057875.14428831,2767871.74866177,2710349.34722269,3208874.44333356,2895966.24426484,3441030.02791292,3086780.39107804,3315636.34161185,3466948.9840089,3048500.17440977,3387643.96516406,2902449.02402461,2913546.13083392,3337845.86205803,3429681.29688981,3103957.00232067,2561003.83352051,2983636.01504775,2211061.55253115,3145279.93439844,3197655.58923111,3480693.79366656,2937529.26641603,3038770.34189643,3420999.60627153]
["Erucamide",0.961161230769231,null,null,584.187,338.339880648138,"MS2",961832003.833275,1265490734.2385,990539028.591579,1110453385.58937,1585776527.95707,971674010.86015,912862668.717387,1318119440.24682,957219732.865101,974354898.328316,506455334.458981,1222437635.73835,840066124.73087,1465142577.33627,1042576043.90196,1028219412.81037,1270146734.17894,1010604182.59917,1013148013.10638,1323206008.80239,975785603.132318,1405694948.37253,1115718491.63025,1123215946.9578,701898276.649609,1191437840.67864,1111647328.83909,1111080053.22229,1366040025.3788,1097889960.36317,1075376284.83969,1089803854.07927,1020355483.52866,973496255.695374,923397234.704822,868540502.314337,1249635049.9883,1016832956.83448,919550317.195236,1003838677.91647,1020513099.01738,1388715736.3898,459935603.087881,1331309651.88969,1097888502.96729,444406883.363082,1226576310.84094]
["Octadecanoic acid",0.960620617999999,"3,5,7-trihydroxy-2-(3-methoxyphenyl)-1chromen-1-ylium","0.142459428544709",564.126,284.266764039971,"metDNA",4618826.34418552,5745940.92007394,5180637.54336371,6160118.32205642,5149523.06433155,6126613.4979048,7349314.46520115,6080176.77878279,11566478.7514775,5434843.44411784,2008811.3034447,4670088.77493895,9056811.98503325,2479722.60106919,1647613.14487501,4273703.82703571,6669705.91336759,10749156.3820372,10048896.2773703,6822234.03680175,11942742.6427268,3249143.96714063,7043040.59414331,4528538.30431842,4511499.01122856,4644466.46225414,2994616.77366455,6761129.20205135,3015573.73580726,1971205.45626989,5020217.90942295,1870968.34811206,2390701.58469643,4921727.15395983,6286863.01132242,3453771.7197696,5793226.00209583,1936459.84249494,4436005.38302324,5742747.68748502,4962553.01196653,2151862.06941015,7699481.85250104,4524362.6398263,2080847.67425593,11383778.0001344,2203894.21101803]
["N-Glucosylnicotinate",0.960170740999999,null,null,153.561,327.113832743017,"metDNA",388874.664697671,431539.798177608,1601830.56306696,1665917.75704018,733826.760327691,230207.128995536,694671.894103842,3121410.16077114,897932.351661603,1187025.67434626,1833728.01969118,410991.705951497,835028.29888035,709010.400282379,938032.131696793,611311.411204688,698757.249676339,414687.279499766,151216.965849414,298821.273275391,943710.363234601,348054.066731935,509190.533071423,4839918.06147191,2455170.56397321,10902714.6393933,4455559.87228448,423758.416402188,2478983.46928704,6261773.19090463,1528640.22885523,4043025.64888393,10465587.9253135,2736125.34452679,7943117.73059294,2754741.94801657,1349591.5424933,5897068.16271336,7702362.17169208,3852420.39409375,1493884.7600625,2601876.47789425,2231484.24246429,1986134.98391518,10773221.3417999,4372720.74650796,5169049.66046121]
["Val Ile Asp",0.959966,null,null,163.013,346.195528868186,"MS2",0,5810.31757927895,201354.13942093,163314.806230968,0,0,5081688.28691721,1064289.6946394,6775358.97351319,2860782.7216286,11737224.580738,4100404.68298951,6819038.99828735,11794511.0521875,10176802.2523304,1997758.26326215,7518539.73700482,7297460.02670441,8184976.90791746,5313462.10307019,18346161.8642946,12688729.6665798,7030332.87277852,0,37575.8426581025,49641.556510725,0,11453.6097406733,18329.3632262275,99477.8388964462,12824.5910799938,11259.356308803,28415.4047704269,181376.225748422,314554.922456936,5821.93094904721,10319.6865283713,8322.57196116447,4666.59588734508,0,61702.1832017079,46086.0129624208,42556.8110301085,23909.077278768,72789.051674558,0,344305.161193177]
["13-HODE-biotin",0.95971,null,null,431.443,535.330132159087,"MS2",1248695.36543036,1439688.52202291,5498761.9840482,6166617.91588079,2164825.0839103,2230478.85814415,9251267.96045991,12450416.4436637,9476052.62529488,18962073.4847419,15735984.6302144,10092350.1520041,3557080.12233711,9063357.33809934,8311820.6473318,8141527.32445998,16185133.4401271,16655320.7120384,3831915.84676454,5542712.61176035,13344014.7290625,5395321.75371622,10983474.2968866,2639212.56278593,4948257.72037111,10919645.1541719,6363716.05958419,1328956.27818431,23691856.9634329,6714699.84671149,4272199.32021355,8504200.06562945,5246907.8407069,10821221.8084029,50112299.3586426,16864560.2582386,705416.905193446,3218759.53612733,4225201.11090097,13039310.0285086,3730912.1104239,9667416.77294335,21723489.0338585,8311685.03548383,15641564.9239022,13251982.315909,3079432.3230746]
["5-(1-oxopropan-2-yl)isolongifol-5-ene",0.959561307692308,null,null,387.2375,261.220060969384,"MS2",3299142.22540137,3824894.82763066,5060018.17901624,4404825.9617843,6136811.35964073,3388427.18896477,3443396.30555281,3965252.74553572,5318728.31866535,6032495.94865638,3582249.70812108,3236430.02951283,3234285.05822026,4869037.75215416,4596091.03262435,4905170.92095005,3825514.47746546,3289069.70056423,4523930.16796348,4166134.60470159,4714871.63657422,3325906.31362664,4131909.51052617,4661394.73367489,4815456.25912203,4193009.65609699,4931613.55659375,2434579.23353645,5175711.61057569,4679830.34099787,3390794.56111735,2446396.73552184,4635122.73614305,2448443.28329549,2862512.32685976,3269527.87542782,4927023.87594289,3257959.16159704,4560303.02925457,3908502.28769299,4782485.35062934,3514721.9271895,3666338.39219668,4159966.61474821,3735663.88918045,3867426.76168569,3866611.77572968]
["2-Hydroxy-3-carboxybenzalpyruvate",0.95955796,null,null,325.554,278.05582560751,"metDNA",0,0,7255.9148200949,0,0,0,4405.57478669617,9017.21119276741,0,0,14546.4372188132,87139.5843103305,85908.5572828125,96522.4835429823,108993.290207484,56343.959393922,221289.124071396,368784.703841365,26827.0368695049,247757.48893457,471896.621195214,90615.1788698511,505450.942633927,0,0,0,0,0,0,4327.48443096876,0,0,5830.68825251526,0,4099.99585305943,0,0,0,0,3627.50755307078,9073.69550219737,0,3448.98818564415,0,0,0,0]
["Juvenile hormone III",0.959518447999999,null,null,398.9,248.173375243928,"metDNA",4711728.11758471,7049767.90885711,4872059.19699108,9332653.96859316,6902360.57975481,12561994.3804162,8477911.26066652,449486.814685316,9923693.39998166,2356187.23567378,3088059.77151693,4390636.61700528,1952372.75284464,5259067.75187027,9222294.5918444,4217885.22823698,6411157.17879805,1094773.13024782,1141902.03314532,591315.330410526,3848698.94010645,4025288.06500057,1079082.77888324,4666.59837562159,29880.770152997,15580.8577821639,11378.0344734144,0,5511.76484000038,0,75330.4721413851,9352.50378698607,9820.32747802783,15242.3857463759,46662.5607636477,21815.2263783716,3420.01865714004,3547.27285398151,15092.5251699498,35501.4374328352,24008.9753048484,20093.745673766,18465.4423890082,0,5304.1903992843,13565.9097384859,28385.3124683532]
["4,5-(methanoxyethano)isolongifol-4-ene",0.959429692307692,null,null,422.986,261.220059695032,"MS2",4131548.2625625,4553466.01220518,6613740.61860151,5447497.98096459,7207421.45792624,5269606.8259139,4494850.62393629,6474824.66474999,6162567.27653047,5568056.38968833,5736295.37439948,4842068.59978845,4434286.87988367,4838605.67884488,4164657.18845813,5041566.53841768,6484971.44929745,5513082.20849469,5896066.52888625,4482017.50075014,4372937.64456466,5541166.45944645,6445242.6583295,4820789.31901636,6218633.24003287,5074112.96984734,6317387.1547832,5363001.80986072,6751114.35380306,5147718.21180719,4741975.35927788,3872809.89798047,5681867.7685828,3865403.13947394,4316353.83975637,4025976.70529586,8156257.57131115,7247387.64590537,9084835.94371456,4054440.7583172,5902460.72902605,8385850.74230543,4945354.1076443,6497135.95054155,5065940.15129031,3498268.95141864,4415112.8952995]
["L-phenylalanyl-L-proline",0.958837384615385,null,null,193.084,263.138112563795,"MS2",11425.7399735391,82611.2885542574,2281346.98764743,1997785.41284548,535758.869887863,525343.319196429,14711099.4882372,1813304.11660677,18464094.7526893,11821613.9364443,5547207.4469844,5252996.04164999,26487006.5472222,8663925.32327011,6732011.16500002,1712046.5920211,7686815.83014709,36761751.0821614,9298298.94462642,9881157.65592814,25068599.5065225,14422236.8555686,6698281.45815341,17339.4941145927,107503.36829144,11803.927597627,0,0,18323.2627650723,11509.5680720329,140038.311586676,6339.48586341868,15330.4509765158,29222.8871631992,30098.7599402845,20192.9172582483,47095.7991148782,35971.977219183,135803.943082797,18369.4070196533,159640.030526786,16627.1367537081,47315.4365520272,76747.4593372177,165211.615427856,43462.9071208548,13541.586885066]
["Androsterone",0.958484161,null,null,465.39,290.220457028103,"metDNA",4935.21117230654,43333.6864607096,36096.3347207467,382556.662513927,21775.9065879544,68634.5564770103,4804417.9764444,190455.479520781,5284851.52123203,5186331.12341639,4881311.47446026,2029203.53631924,3137096.25764074,3588378.28389844,4452970.94430333,2065131.57669219,4816871.80934004,3398380.48266137,236142.355533124,336204.67041637,1380456.06705098,1224784.48016659,604417.63106092,32244.5639772216,214912.598709417,197021.079433179,28050.9400971121,0,74840.399965167,79035.5872929891,167282.229214286,315694.155120313,552847.224201687,37962.7309411764,104307.383532941,108403.695769997,0,65930.6233466725,99963.0025392921,97118.3093165837,271871.527995361,126123.761760937,184289.683585314,74889.2267458081,191591.863009977,107737.407253713,68245.9871785998]
["Cyclohexanone",0.958222692307692,null,null,695.649,99.0799402125872,"MS2",13627656.5463675,3746448.64624978,4071894.93514997,36618097.6382327,17327410.5472187,24624101.7360002,20637362.8892083,4737143.85966679,38565290.7933068,17103460.7936499,5569012.14750026,15319585.8481947,4909908.35194996,3284562.5487498,5186029.67812481,6557930.65094995,2837456.42655017,5991073.06769995,8277143.03772068,3288349.8806248,22826790.7849441,6131692.37694995,4272262.48783344,11611069.9218992,3894317.97107497,24355125.6195959,14475068.4039499,5989299.72124964,22152279.715667,4388982.3087502,26735837.5154133,6354203.93895049,17094711.2142858,2975014.95937482,6749655.78245052,4585081.38483345,5054875.93887481,20154231.4785759,1868158.62199999,3058920.43050008,13056626.0327644,5682654.77674995,12368685.695423,5190853.27337536,19294657.1933532,6641830.47604995,33624477.239612]
["Ile Thr Thr",0.957601692307692,null,null,154.8535,334.195392126429,"MS2",6643.25793021742,0,840103.105321592,831733.396189062,205160.091942969,128011.063640409,2962519.33298377,1070183.33333186,5505950.61148945,1913537.24675686,7118665.60940352,3519163.81222108,15691976.1019259,4951867.44619531,6119289.0762662,817550.315676562,5378859.67586755,8086741.81710936,4412425.44299219,5206089.35353801,6043372.69701977,4113083.90444614,10102391.535816,43448.2937929905,561205.990789872,238988.040253805,38381.1426135898,14042.945178628,43633.601904753,88217.9338564781,692236.889518527,119558.288618624,23149.2288491964,60767.6377230253,65471.1155699064,91527.8340808184,7590.91842377186,200266.015084536,180272.849762504,163202.247316348,49110.9352430396,132811.524904423,228195.903557515,41795.5874597869,929396.533325755,146988.582335686,1274576.66480641]
["N-(6-aminohexanoyl)-6-aminohexanoic acid",0.957479615384615,null,null,197.2315,245.184882978067,"MS2",172224.331166994,2004393.78338773,24400215.3480824,22591345.3684073,8719342.20505286,4974661.36920536,46999333.6226359,22526343.3468182,54464780.7176371,39571108.222513,86848777.167159,53465451.9007777,104305600.593768,55101494.0376562,41997277.9790626,10126481.8376677,48717543.1893771,58677009.8532871,17068414.7816494,61563804.7160002,67552334.8277143,17238781.5419764,60146758.2270891,66625.4635758903,474602.431178572,155865.818305543,194991.227076687,283652.085697412,425585.869145209,2475910.84256282,946772.656552735,253088.698273071,145845.610149092,481394.591965908,702717.733942706,266750.770440267,693909.775541392,154896.278322153,91134.3605556115,412390.610928078,1026074.82418445,738225.375847801,1091024.90596739,1121484.00121875,199572.348200894,98947.636672914,814378.978446429]
["2-(Methylthio)propane",0.956963230769231,null,null,18.1282,91.0539293884259,"MS2",3891631.26790885,9263296.83900229,1913435.85522097,9595114.30034637,9339550.78052879,9640580.56061265,9068168.05625081,2125932.66834831,9234220.27918379,9220045.6752585,5969204.85109346,1911144.08580497,4789813.00339286,9943224.13793352,2322242.29339129,9333493.0396077,9265164.32998505,1286450.79602148,9286609.70304535,5978291.81857138,2019362.10441738,2260667.81329006,2025100.08353011,1276349.19711115,1300190.15882628,1998223.7286702,8746051.2904201,2482957.58527667,7232429.55045987,3605185.21266898,9637888.14360661,1945277.38864602,1119281.96639267,1992740.16614158,2180148.0421848,3596420.77304289,9784162.89973602,6909853.53826529,945385.214696165,1732775.0359189,1630952.87657618,2533653.3203997,1058268.74578986,5534093.61647324,2506540.79696403,7914056.58613986,9755166.03464476]
["cis-1,2-Dichloroethene",0.956741453132951,null,null,297.0765,116.928389164373,"metDNA",44095026.3368774,27581645.844742,42590971.1616803,20406920.561202,16870616.5061975,2611503.80680003,23369586.2203656,24869977.2062357,67637728.0946218,18283817.5027963,18279406.5311961,33857885.3857614,54464668.3350515,17237771.0595155,7050240.76514236,38010323.4070841,45787834.3125971,119326683.731413,90296172.8790709,13222736.1916872,28213534.1226932,13420578.7242714,2740734.34665441,61185754.887217,16456898.2082386,37729257.9178988,35916748.2095043,25930890.3153574,20575842.262875,26586344.0824821,8267578.17342745,33035964.4806921,25241390.9256743,21601678.03644,25270074.5757956,31619657.4686339,30666675.1362022,33925381.9599844,9804816.11185004,18646975.8414123,100340777.386498,26106224.9389726,31036509.4772147,27954656.1456472,26123053.7635471,26628622.0302341,26539048.8122004]
["Leu Val Glu",0.956457692307692,null,null,162.365,360.211030917636,"MS2",0,0,601538.266006349,472857.927108934,0,0,3992905.18083757,1584289.21823157,3206037.41578385,1812156.59959355,4981520.39830606,2813290.17778501,10683309.4229023,3713274.46503906,5751460.76767683,2036707.99745493,4222401.17521465,7549402.42577154,5375136.67821065,5062247.51429883,8524703.66645986,5235384.0901875,10465440.3435037,12031.9835737929,782270.387378668,47441.3945492014,87316.0034317672,0,34164.6814001548,251596.253524332,440187.229098178,131307.973924017,39058.3675836239,34118.3985146959,45752.4151948009,19962.6485295653,8174.16760503501,22196.2295436978,56056.6031996636,18710.8810022018,53184.1875267857,526693.309249999,44182.6744175076,322946.842894821,69550.4186077822,14672.7647899777,50177.5847810447]
["5-Hydroxyferulate",0.956455384615385,null,null,180.7035,209.045189151557,"MS2",12642222.1982105,13999730.956064,12897100.4545791,12777184.4515391,4348695.30749448,12597099.790523,12906535.6554096,4382002.52083125,5365872.64781406,6772701.73432582,3989513.22692096,11771361.0371565,3557129.66446306,12874794.7904839,6419118.232925,13394234.9467678,13246896.6925771,8015309.45790168,10979397.8621548,11309262.1486722,5067130.15469791,4090641.674075,3224574.11505682,13539965.702561,13796281.7125714,4369816.5775,4586713.01486071,12890024.9756859,12986928.406478,12378428.1393325,12707802.8056208,13838242.3210186,7282459.96734375,13827062.9253544,13044254.4217491,12925300.9775045,4755370.76897221,4395609.62973253,13424806.1110835,4316098.45544118,4275937.12475459,13854930.4794712,4314343.52800662,12742157.0325,4280405.0934659,14178363.9600892,4427307.39128308]
["L-METHIONINE",0.956233923076923,null,null,45.4119,150.057772814585,"MS2",338590.309884719,387959.592841283,13048157.3523438,6668426.23399754,3346063.74727602,2440679.93342123,29638553.388594,75238390.6162778,97894858.5549721,19129413.5721351,62505865.8959043,19632155.1541433,38332764.6979987,28929810.6872961,33198887.4866054,8860995.48415644,33247739.1416297,48576149.0389732,35940815.2844993,500651.142124432,27480643.4065096,26671617.8276828,39510347.2318954,11688422.4675442,15702417.8249568,35706620.6586741,23577611.0283125,4078304.38832369,13549539.4053122,38446711.0167802,106520290.183584,69821806.3779211,24673056.480518,68612680.7934514,126928568.277582,23946709.7075267,3002255.89119401,15633089.9836113,25384549.7681578,49666861.3776592,35260745.5477117,73541737.99345,35626143.93741,35953499.514666,51412598.7368555,38737256.9690986,122740622.410501]
["2-(5,8-Tetradecadienyl)cyclobutanone",0.956035307692307,null,null,444.108,263.235647643635,"MS2",4212445.24400031,7166522.88828212,4920940.29094815,6690725.94890186,7716077.10095391,4701888.80804212,3256895.33462601,5960309.95882687,6010580.64592026,5310415.85268127,4215835.68087101,3594526.93695405,4690910.44739737,5839586.39989195,4195155.72083131,4160202.72880131,4624507.58449216,3934635.58445175,5385822.78831388,4872512.97283665,4107159.67322554,6157021.22659254,6658938.05767927,4474088.24221296,5556566.00998232,4058319.53967843,5341300.12942316,4754919.97324184,4867982.17685758,5074107.84581627,5033421.68794316,3947598.98471539,4886223.55762918,4387212.04773188,4161872.3794413,3540455.17051723,5291826.23338345,6263162.82171095,8021887.68308539,3921890.76313209,5213287.51364226,4760794.32145819,5482552.2461681,4457584.23397682,5412410.54024987,4126598.22694191,4851722.75485095]
["(R)-Mevalonate",0.955769035999999,null,null,150.282,130.058914151952,"metDNA",377761.532542884,495950.980289679,444906.82921842,723640.394827408,398962.666102499,446249.44157697,1507837.07632986,769511.785494008,485100.085634766,7450695.06231571,1464583.05296299,5280852.2795609,1990479.92192583,2981092.13004297,2114000.78336719,1306756.14304153,8626186.80274999,1535859.21013181,652929.916061549,5322738.60438158,4616981.51472957,2595776.8897429,4307124.77540764,583328.725422957,579577.735453615,649267.569258439,591052.462571552,438331.8579186,721736.689640472,750265.218795081,1460452.31006998,876686.869404093,277578.890964648,999866.903049131,747679.667675224,509959.572334517,448514.844984907,512206.51787911,583798.623134635,600877.126378969,603602.628727963,344407.85020712,641823.583595997,871848.117820125,1060188.77179337,1063048.59696302,506580.896174577]
["2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine",0.955523461538461,null,null,559.247,152.106384661548,"MS2",10228709.963264,7704951.49744541,9945885.48004958,26582213.6675622,6790832.04559371,6099835.24379325,26082438.6823283,11762753.0535219,18709718.6999596,11426645.6179929,1638930.23105013,10202092.1106542,10017733.9756191,11970014.7005407,11556616.5572027,22695528.9432857,11754808.7972075,10683130.4768695,13620758.4533672,23465512.9193405,9883074.98003636,18533585.790909,7208163.94920092,13431853.5432765,9711767.79387931,11009448.6145052,31289414.097284,12193600.4815322,10205931.1158947,6450696.42332025,11689362.2118781,15101230.8228925,8014107.74528823,9004504.8497298,10371463.1916815,12236298.958269,5542748.36505046,9801238.89085714,10102515.8883978,11730258.4062481,1897229.86328567,1853449.70842498,7934591.50433577,11003851.9917906,9628378.25897394,21156017.1922769,11058016.4346879]
["Ser Ile Leu",0.955081384615384,null,null,211.3945,332.216264294896,"MS2",0,22505.4553176522,599115.596835559,1219835.03967569,269326.069066139,160673.928743249,6252041.99068938,2801365.42815227,7384564.03648874,3653119.61988406,7349481.63354898,3915184.25148362,18966198.3958555,19468386.5065398,14579751.9164126,3016439.11718801,6793056.88053378,16868613.7975088,6915709.88252423,12753120.9233266,14412786.5676302,11876665.0811363,14744215.7716495,196024.245855687,65601.3217836796,18766.6133275666,44830.0026461165,0,69175.3096766706,192202.734140188,37167.0887731126,7031.09553484207,65295.9023493826,0,115105.962462727,6758.6696241479,10955.8685678736,7836.89111469337,206747.068172455,0,303845.528494621,49279.2554644148,14948.4333948958,5979.12413182728,22059.3429874784,5106.03361922122,202636.410929843]
["Phe Lys",0.954488384615384,null,null,148.9875,294.179716627358,"MS2",0,0,0,14196.0725188199,0,0,641855.344677735,176617.283899639,5956229.1892218,533596.534442244,1963065.9358789,1431947.95523789,6238679.82432621,1346800.05655539,3823768.18729459,448049.841343126,2209628.56304075,10651440.5424411,8600120.20670271,4880490.2250831,8217388.44125891,5550118.78009254,11196830.1769895,5973.38128392486,6795.6486127061,0,18111.6367522478,21906.0578303231,13636.5559887857,14004.5025792336,7931.03317134082,5150.21648071794,0,0,161959.433375,0,15435.1031570882,11866.1601784554,9767.76283327852,0,20393.7730739902,30514.1837273175,6898.06629065983,7417.53022337705,12494.1448218624,4822.05203201841,5061.13168510284]
["Pentanoic acid",0.954237846153846,null,null,482.669,101.060597189427,"MS2",8223588.11182555,10484524.8540972,8525309.69072656,11134416.057387,11290612.9577427,8239123.09380737,6970983.38402893,11667094.2148777,6580429.74392683,9589722.59462593,10679720.8538827,6979436.17238472,14105088.813784,10049518.3951919,4896389.35259916,10798462.2120726,6455939.75099428,7107988.08768845,10656925.8328929,10759090.4095914,7919751.6879081,9556993.12309461,10778113.778875,7539316.8458233,4689944.19029853,7911628.74292493,8675462.17256336,10721050.7359507,10940777.8994623,9626869.12287052,10531926.6577878,10686805.0294133,10115524.0884226,11565032.950998,11222679.2180705,11414734.0502747,11328413.2959479,9072570.58778654,7886214.0112777,8030025.00513095,7674533.53178369,10855933.0982753,10999876.7777063,10669794.0229946,10484657.9224526,11614011.376084,10666214.6159093]
["Ile Pro",0.954218,null,null,137.291,229.15365104607,"MS2",204073.562178242,157025.456571275,138409.473719031,187940.449835345,149128.05821286,160752.479638937,184748.4775718,1302316.29883708,178682.869292253,199964.132692501,262544.163306934,296775.587094631,176483.246726632,332151.389326756,192605.114582876,389461.492843644,575119.05418731,150783.62903468,368087.813766379,268943.753526844,137779.823663086,201171.302548228,1621251.91377447,1453688.35428836,2252881.40090445,5680917.02796429,1927083.85798003,353100.178843985,2020243.5755231,2699522.65915369,612208.413215331,1702908.44876224,3535577.08993535,1516444.5548053,2047913.9353688,1816148.45020347,1497459.22253928,1972195.62887036,2030995.47275615,555373.807034713,797600.739698809,1481008.18931899,612524.026892038,705890.226890728,752232.120472284,1246075.6476581,1398260.80898733]
["L-Carnitine",0.953915307692308,null,null,60.10185,162.111844225554,"MS2",3198340.70616897,565823.261528734,695378.607139235,897721.897842904,682254.658387433,413098.705175851,767421.227176368,4872406.15860886,1129519.10901959,1262387.24737796,1529387.31049807,1150451.10529141,1073923.05106262,3490151.49458812,981492.252152368,2091409.75052326,1934063.62760241,642567.735071077,1172891.60443574,1026104.78425891,990315.227680555,773453.003719169,1231735.3251048,5462059.48953127,8589467.58229743,6503267.36350809,4333238.50464277,1157508.14362552,3838627.88067644,9331469.42983662,2747579.61917672,5349517.89001757,18622415.2098587,5559480.16882175,9945759.33404513,4032109.49028503,2428458.56887485,12526275.4233551,7513908.08378225,3885833.67803734,3617000.02310341,4386466.9355572,2866006.05000116,3115989.78522467,3232236.22529826,3443108.30807112,4963870.24601431]
["Malyngamide H",0.953402615384615,null,null,394.622,430.298964876249,"MS2",20729.0668169405,3772.23259049027,2669860.88292857,1653705.58600015,8044.98285516155,12015.9163146654,2199993.88108852,995159.527004884,788877.871431588,2552450.56408677,1406022.98730334,283877.653084276,217602.350730523,425493.615916394,511725.608371409,392339.443418416,1325987.52214329,437254.393003063,182529.11816518,414286.043069467,920529.19341768,390680.011826699,934517.560678023,305851.167114319,245334.300845705,497126.640860263,1374327.36609654,173347.945413322,8811399.79269646,725673.990074496,541008.095629142,3211570.63479268,500711.397468751,4494330.40676924,40173567.2993571,6885004.81513691,130487.72918476,309428.318629686,123327.52423086,3596231.99428782,1078504.71945141,2390639.21365029,15428081.0693754,1881105.46963393,6408864.57975764,3334994.22596894,240241.541773061]
["His Asp Asn His",0.952987769230769,null,null,36.148,522.199952875611,"MS2",103895.237104244,470325.18023224,638664.974391889,1248850.08501231,789552.346030333,741986.808509765,2337699.66253981,972360.64937273,673263.561454542,537181.104609722,4064501.16944549,5019908.34367826,3566951.12948604,11410417.8795193,12455540.0991314,3193498.95107898,10161136.7431174,150830.386785547,7119101.9665288,2170666.719,3443398.87409078,2827072.10553098,1329743.68528687,1660441.18673174,594632.539426809,1013296.99849723,523783.645403499,588850.502326375,6638470.26460489,49707.6318578067,182649.721187738,304687.282036852,0,11816197.1692886,8355970.920375,1389987.51978816,1063514.06670052,208783.936157525,972677.229792237,6735277.55738956,3507517.99125,8941409.64321429,9920034.29057955,1767706.59945313,4485495.07311748,158604.242988995,0]
["4-Carboxy-4-hydroxy-2-oxoadipate",0.952714666999999,null,null,331.9935,289.017491282459,"metDNA",0,196509.361018883,2565067.27640949,3642902.19089795,3354420.92872845,16443.6255990192,3794385.51814914,572987.488299108,3082376.7113464,4042008.40992831,3077242.34494027,12070377.4386068,3972022.52015071,14344957.8357491,2951835.75215376,4298157.10340345,7994116.75730948,6048368.23088673,1170055.15224941,2374747.20585233,4779131.17208261,4150259.33525638,88644.9711778896,177997.69219119,2542451.72306004,1940486.30779018,2169511.45253452,1577974.84758769,1021036.78275232,5906148.02035218,1064178.83309207,2214708.09795571,5730232.7467405,1710074.83312952,2950223.34158035,5583383.25494967,896405.861812496,4061042.40755294,362364.109171875,383918.010445564,1579411.94716845,5527910.9329961,3752484.85134489,1271676.21436133,3889256.28362758,2782735.16437116,1116942.54625147]
["para-Trifluoromethylphenol",0.952573230769231,null,null,251.292,163.038292614752,"MS2",21663200.2525714,18267712.4148147,45990458.6848195,18648624.9881207,3725198.90242497,17293387.07234,18115176.71565,2537086.32924999,1765675.17906249,16924313.4505714,22629627.8936052,17088826.6621458,13025018.0376377,50991896.511954,20199776.6206419,12512936.0481264,7771482.32803761,5745527.78456251,7823831.24544664,15847635.96,1544776.68843749,13301546.0924127,11300534.1746294,8972939.33686456,11336569.7487192,17450562.1212158,22591664.9358942,16213999.57825,14700224.9862415,41093364.6015958,14528539.7126097,16468179.69086,13309695.6789737,5116564.29724996,19595431.4087904,21031845.2696563,15446927.0724196,17901396.9308571,9440697.27777136,7616439.2101667,12608939.2412879,16524759.4978399,14911732.2224318,17221398.0788571,10714056.0513,37248667.4009195,23609042.7098311]
["Isethionate",0.952554538461538,null,null,31.3577,124.991202522376,"MS2",11327703.3446122,3524395.75135604,5871004.72083778,12930669.0300367,7059356.9010625,3059860.76402344,7323620.53882243,54382466.1630015,16776827.7929719,20959759.8974565,18988939.2700358,15824386.912107,26588149.7938304,46200567.5358778,18812993.8008812,21321829.8646406,33615596.2147254,16709319.9543736,16245116.9094949,15955964.2024882,19928978.4036081,11355619.674058,24174856.1649205,125429572.381099,183820018.363995,292957778.7697,161202544.094404,86762255.8741961,22391108.7501644,51939431.7314086,168617306.270314,198321319.371677,208518750.178087,496302129.884525,20497839.1175961,119227648.451855,59387861.5116429,213875380.053085,240325222.500273,232266904.917679,95173972.3640226,191895919.678679,90984682.6463167,94944632.3848268,200080026.651622,122584054.852862,396839110.564128]
["Idazoxan",0.952418615384615,null,null,177.417,205.09628104168,"MS2",4397304.36006615,4705460.03637942,54591525.1005647,52242968.7012915,31005645.6606929,25487883.6085359,141193755.078989,121105130.809677,239932695.236583,132428189.587221,271870686.53377,64111010.422272,264872556.433193,196056824.07508,199805548.277097,60882530.3766069,154726865.699821,279265414.344125,110749684.652134,164291492.79984,212039336.335512,179975680.410274,242581506.956266,63865337.136097,102047319.452086,116043467.784496,69410720.5907531,23815657.0918923,48452002.6415448,64376666.3340965,261353900.128202,134347237.617592,49642917.6401513,301565311.984933,191907605.119457,60548082.9979261,18804423.8175542,69518176.6576602,93854257.2172841,131512497.96024,78834959.6120678,193619471.636115,106824246.474734,86603665.2859592,158043697.595515,110660675.126073,244375529.880744]
["(22E)-(25R)-26,26,26-trifluoro-1alpha,25-dihydroxy-22,23-didehydrovitamin D3 / (22E)-(25R)-26,26,26-trifluoro-1alpha,25-dihydroxy-22,23-didehydrocholecalciferol",0.952326076923077,null,null,500.4395,469.289860465551,"MS2",55334.4205766916,93965.3242709406,917846.947526783,652972.243958895,186520.759984206,13940.4830543846,5190599.96826391,3614955.90728127,9903699.69817707,13338168.660545,27920602.5469318,8372590.57073591,46068444.3070393,6517094.82082153,12317260.3137074,7171288.05891548,7744073.32864292,8423388.65614167,809164.119689699,18138003.1305087,9744416.95064208,4563498.71572873,16569686.3751345,1636021.00290771,3440457.47751009,18637672.7013372,6393697.77462837,327448.933229931,1186826.12038671,10326837.6116169,948090.705013538,7802562.83830077,15395310.8221365,1653162.94594109,2621663.37652952,959613.499928573,248122.118962519,5532074.92620517,3145254.19703906,1259018.05683795,5422488.68403071,981921.345901042,2023123.10565138,1644873.02163304,4167449.62464912,3457093.98823879,2379216.66868785]
["ether",0.951857384615384,null,null,55.564,75.0800440711877,"MS2",15537539.6453138,7771391.951612,3753196.61218559,12829933.5073231,8791360.00962995,12735553.9935439,6760950.8856672,10416650.3768829,5422329.99478859,10456792.1750095,11241892.3382992,2860393.69797162,3572236.0285598,10047938.8280688,11353843.2505216,19425924.2117518,2874965.23320078,3453312.57684996,3340129.20428571,10619751.3414011,12967916.446124,8286347.43134423,8882440.65483631,4114834.19534031,4638666.42432485,14786304.3085896,14251437.8161345,9984779.50332248,10014877.6904644,13715769.1705512,10737217.5366942,8928935.36223348,8169136.99431343,5933086.49617969,12874682.9916662,8817532.83470922,5379837.45650105,14175927.2066756,4395248.71552113,15594620.9080341,3961311.59946462,10968834.4695479,8984868.98402187,6436669.53793894,10228126.1844491,12192081.7014497,9934853.85263257]
["Pinacidil-N-Oxide",0.951161,null,null,140.884,262.16368183923,"MS2",1259608.31843631,520653.568342468,1359208.08928125,1527148.05458049,1326550.14506863,504391.356683036,1307517.58742128,4591626.22483368,1309557.41715104,2429711.45948771,2225675.77061182,2621651.54549868,3189328.89733375,2125244.40458369,2996432.1913895,2579538.36683534,3381793.27926923,2021478.81807827,3832980.40945775,6875867.88471317,2935164.7693152,3722737.58044194,2770737.76137329,11741718.9881382,16770798.4357739,17957753.2934454,16614426.7444812,12825681.055786,15719300.5254608,22621594.9603989,11835444.392869,11152883.5577985,11761569.3130329,23040168.3546316,11287514.6684776,10478599.3366411,10810627.2670539,6643650.3756335,14872379.1551701,14627937.3599,29336869.084921,14478214.5362771,17376702.0307364,7976050.98928008,11576293.2217018,11848126.03971,25054234.5294053]
["Trimethylamine N-oxide",0.9492,null,null,644.858,76.0752771911355,"MS2",4886277.3267328,4362764.00913946,4347789.01020306,4414198.95407599,4499953.72103043,3864640.4714681,4203731.31631734,4693055.59146181,4409845.73431082,4189275.45376417,2750128.41091589,4476770.64221858,4861540.27133047,4284585.39701355,4157422.30031916,4319740.59270003,4876253.44004436,5177048.1218655,5067409.95660536,4121586.14046772,4651061.41102978,4718656.04974612,4246225.22005896,4465236.18661851,5294751.30748435,5038806.37007527,4426093.26638843,4852434.8632463,3216170.55918912,4590443.01435375,5420915.10702095,4115815.78230482,3609674.34845047,4301103.24198961,2854298.90918007,4690110.63506368,4718013.15139938,4799970.69040251,5513215.52343528,4587832.88771545,4780263.3868839,4680995.54154514,4468137.55624052,4614046.22455967,3641746.71358192,3851061.78444407,4561111.78374067]
["N-stearoyl taurine",0.948825076923077,null,null,387.36,390.267709356267,"MS2",0,0,1028333.65211042,467103.647108462,4469.92255465423,6797.79184816077,695811.226172101,546544.814017921,638676.175099676,2059553.2029508,1187129.31162614,411737.432002231,520690.27399174,296125.990741803,471398.45355709,509067.920520091,1133378.0010001,315373.947112811,121767.955538891,144448.769935468,411682.901250559,195819.927519942,178024.758669642,796759.62617411,2462865.12969348,570466.955457174,2512827.91684299,1108247.99450314,4294463.57957052,413984.015090334,3976735.93059245,2721018.87171088,1091482.59569566,4325338.89825907,20116102.8470355,1685422.05266624,75445.1726833978,255681.73963068,210084.352049045,3186599.69941994,647261.643251753,2580036.01074197,4337351.65793107,3797541.68182935,3686918.81138935,1995362.43839878,736028.680881696]
["deoxyguanosine 5'-monophosphate (dGMP)",0.948705307692308,null,null,57.3505,348.068508319697,"MS2",233384.179033718,25540.2492463386,268841.003991662,111911.089700893,132846.445390299,80417.1822617886,3027305.47124423,2629212.10093196,5278242.86019969,8232824.160935,8232199.2340788,3273316.14801208,25087226.0807984,2259801.11580562,10492935.2742749,4689733.73870074,5491342.20202083,9922843.30132736,9407863.22558923,8679951.83518026,7797420.64651926,5967064.82290834,9639925.19250802,59257543.5175448,27755521.5881878,13928943.77775,56162982.9940867,5996903.74154536,27005572.2021429,20505840.4578577,49563867.3801737,58127357.1631743,12531092.9852073,130674788.436339,85681328.1139867,44959877.2782063,9798397.72926768,32625822.6988073,11895975.5700803,100545121.266253,16177987.2324907,97530908.0598811,60357141.5808418,25682835.4943718,44395426.4494889,60513137.1272175,94489221.4421512]
["Docosahexanoic acid",0.948671,null,null,475.147,327.232406156377,"MS2",38326187.609356,41071167.5612706,133302486.393925,388384024.357914,81291575.444276,57942780.113968,3882008413.94742,281185928.76078,3936864863.88215,2540530713.49629,4223133804.91256,1564242680.84031,1160348310.08352,3030836655.10872,3414779450.95992,1493373277.76772,3934788055.92353,2067297563.72126,372525705.503149,170743236.470836,1153319210.6264,1109053165.76358,458084491.202565,149834614.570755,186909804.313489,152061526.872239,140228227.070734,25931817.7774649,131637356.55203,109228948.786575,218628527.420418,156074493.705382,366613466.204042,132161346.979568,258360703.990882,178125488.228031,25809750.7868571,119955181.756681,205315207.600954,191337118.092561,196051542.135143,169202554.238077,216363089.569128,160133528.457642,183699642.691246,138070316.916042,189998159.284123]
["Tyrosyl-Isoleucine",0.948610846153846,null,null,191.969,295.163804771345,"MS2",100466.75532896,212931.400043092,3169039.17540257,3221189.18758929,1006551.88039188,734719.33952403,10104205.1122578,1139743.99303297,11370519.9558581,8828605.35384183,11557931.1347597,13635161.0415758,18607645.9788767,13419897.4268357,15761139.1141447,3738367.03975825,12376092.3344147,22662158.4595115,18780796.6504219,16926395.7363572,28931282.884871,16755733.7067517,25090434.6423702,55341.847415801,117891.305623501,149682.835076563,13589.907472821,12518.0713818669,223407.447678515,470265.155517856,87068.9999741045,13046.789466083,14687.7790513423,54226.6306709015,555655.288548473,72407.2571798228,61876.3878837408,38670.043457833,71601.4297427083,44684.875276739,174161.585411865,56336.4580431382,302757.108437294,348926.944819337,80840.7008189598,47069.8775494602,39225.3898904893]
["Glutathione (reduced)",0.948566384615385,null,null,57.2722,308.089503266238,"MS2",0,6324.82685380823,5943.38897730643,0,0,0,0,0,1684866.34271057,18024.5358477384,20128.4494327759,7894.55203644745,269463.595591761,14541.0390720223,122957.957287139,77714.3516252931,6855.41258141399,5082636.93749544,3872410.71790724,77038.9477986766,1848876.45289795,601772.181312821,362658.050365909,34487826.8149531,1996648.36979219,57196.0050991969,5964420.35288139,5759.01382791158,12190769.9866621,7076828.64633506,8079916.54881919,8129227.38882534,150649.199276264,51335452.8932507,17312551.1344528,7403544.86093072,26125.2228201104,259835.923513542,7182086.97839748,27209525.814959,21407084.0134388,29613554.2998079,358759.792075781,2770098.46447653,550495.698094382,845952.765749097,59038290.0754725]
["8-HEPE",0.948343307692308,null,null,375.823,317.211663968649,"MS2",5530774.79523214,7717394.66395313,13407198.402669,43059219.2448293,9547630.38801598,10455488.3003866,31252010.5555496,52098777.3244078,122206520.29111,75876951.4919477,74799815.1298537,111095791.254678,196379697.800709,107952361.525975,123999851.396572,72573295.9334295,133097538.569532,354445141.305947,29032436.969351,108005802.404526,205967558.665946,47015508.1160512,119279429.340066,9916211.37829528,178662140.245411,15428613.0313661,11995956.0547435,793206.150446012,7078456.75794004,22580463.2103778,40702620.376493,112997333.565655,135219097.934263,5510560.24833443,5922754.79225851,25038557.0695234,2721523.25112771,14644652.5071875,59258531.380543,44930664.7049313,12772903.8479412,46892778.05625,20887206.020161,9995975.4474093,35517198.7739578,13185794.404548,15617122.3972883]
["2-Isopropyl-1,4-benzenediol",0.947969,null,null,463.905,153.090396798757,"MS2",9404186.47173384,13445243.6192339,26032413.6469677,24444581.7524396,14836128.3511094,12402361.1843276,9461753.8314,13001543.3037266,13364145.2039871,25879684.699287,9290406.247964,9680919.46548389,9447386.75327586,12745253.8311429,8246575.34902781,7848994.66793273,10856263.0310948,10193739.3318656,10423567.01525,31115641.5124787,19282054.4331787,15773518.7622124,12309968.9188637,10076861.157256,10603985.8280645,9968039.55076207,12794496.0339352,9972033.59528881,10491979.7884879,10715855.2151176,19048991.9412937,9450052.785871,9707740.32626045,23482196.2030298,17224133.0223501,25153249.9399238,9969337.91580645,25211981.0207953,11610291.0186291,10044021.2159091,10434128.0699214,8690301.96002159,35667330.456207,9285776.06514554,15211742.2561638,8412282.42411746,10788040.0699296]
["Thiobinupharidine",0.947896307692308,null,null,505.0955,495.305106001272,"MS2",0,0,65048.1768025438,39223.0888884902,0,0,1783123.21620416,625363.823109716,3721297.47482683,3651782.22172655,8361669.75959405,3056708.74252684,15050871.3736362,1754338.91502264,5717058.41780356,1521082.34801381,2973755.64563828,3913832.13557143,22483.9587229788,3225967.31904503,2889397.3115498,583403.18834961,3636337.04514325,516710.125490235,1598676.84193465,6053836.79056576,2738981.20275,62187.5656376044,422407.179226798,3580687.15614088,849829.016280597,1700490.86714063,4713243.14739504,495693.247618489,349382.177155346,339166.462642347,17809.4699590437,1318417.66336597,1098144.72057651,352293.346530381,589125.83493638,287317.294566654,521640.844107732,306050.374780968,1344281.11832754,677827.444685692,607265.847839663]
["Isoguvacine",0.947759692307692,null,null,40.5972,128.070070169656,"MS2",3748676.36007648,10554621.1098206,5566006.15952728,4476479.97608599,4883609.95131243,296173.660562502,17937736.6669176,11161444.8772727,4089651.69181378,18397992.1916348,25317783.0627212,25788259.3423769,9928539.38267789,31006327.4993672,50229474.4217916,12280042.3569886,29573217.2264565,9363661.61110714,17775840.5403659,109859455.994653,9569381.45335714,53906661.464722,22274649.0817879,5240828.39829233,4485786.713265,458813.800912498,11853130.3172109,4005639.04296016,51399775.9897455,7798648.93135714,4914584.16356159,25297484.4402573,14310024.3143342,23937547.0480114,128060586.072959,45333526.2352268,4905834.61490844,15369594.7341151,7660505.10874717,25191457.0844224,5547777.61613626,25031240.8396594,66226928.5162197,24029774.7965864,41234422.4135802,15284834.0464962,7479922.63703672]
["DL-2-hydroxy stearic acid",0.947414769230769,null,null,429.016,299.258613315065,"MS2",24150365.1731091,14173794.1168442,27620028.5293527,23241954.39985,15138159.9220166,21046654.9218812,58290334.7260361,17488657.3645795,32102079.7870376,41661306.9332926,23318100.559696,22814778.3222931,17684652.2855816,35992489.1938207,21019211.6100681,38197687.340235,37737647.1350498,27910647.8436883,18833624.1932369,17521207.1994445,21685044.7871652,20814486.8836057,27575815.2376702,13232566.5876135,12691777.571125,14618088.3043929,10944646.0826131,12814157.800073,15056354.1747782,12369345.0187404,14453113.379562,15520620.5618336,11661028.8048036,12558695.886258,32817883.4073225,14347421.9216055,15137851.017365,18290878.5021183,15362452.3705714,14645903.4030067,18093524.5504152,12474843.182756,14965315.0085806,15691449.7517143,14619577.6767292,23910595.0561894,15088160.9056657]
["(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopentacyclo[11.8.0.0.0.0]henicos-17-yl acetate",0.946773,null,null,487.46,467.274227561769,"MS2",14793.0495994322,0,67105.4170876741,562009.842834194,66841.3758087081,0,1364831.04387556,314123.765981119,3831700.83021678,2485469.26559896,9817981.93231,2999344.35940292,9090914.0716892,2203888.63744366,3940413.97080833,1440432.66393143,3707443.23583237,2891361.87266391,599596.225617436,3641626.4996578,2845334.196575,597593.700631921,3440153.29623333,200767.767382007,2784204.38414617,3873914.44089749,1611397.44143041,102834.888530824,363834.645537768,2482020.40194643,978000.228133667,1816143.08942545,3001892.59350419,690288.700603998,688456.460079896,348784.775909567,0,1094422.77478409,763996.643644268,515799.988247452,875720.349668747,538939.086857327,923913.520537953,597802.454243491,906750.680528341,732118.922977901,345136.969208496]
["(R)-Lactate",0.946370926560823,null,null,430.911,89.0243362126307,"metDNA",3056973.80169398,4036119.80636132,3799655.46167421,3609797.13014464,4501339.18053932,1834582.49150391,4001853.87247803,3699684.9914976,4535242.45823065,4497796.33805466,3895734.66505142,3910375.15000407,3881347.48534054,4008179.31806691,3696064.16841876,3612938.40146947,4871750.85290639,5008602.62730122,4872968.25670497,3696550.38927301,3972816.11916404,4168526.74493102,4420039.48911428,4303394.08144967,3913619.54297962,3989089.33509426,3675983.20333143,5067997.80885859,5224722.82064634,4049605.42920907,5168533.71453207,4420305.64580671,3850149.82906902,3407507.85730603,3663826.58953079,3416226.14635714,635616.34253126,5497798.05477513,3317930.90731467,4027836.36339164,4793032.20840912,3418252.0139122,3972956.51902962,514074.681750013,3939319.64062452,3587618.09223604,3883265.41962624]
["Glutamate",0.945965923076923,null,null,32.4225,148.0598018672,"MS2",1679312.2472434,2286890.63745169,9767008.53746321,11684081.4858911,4893179.79840027,4888161.14473194,51732002.9927729,42999974.406516,61661246.7291079,38918155.9197753,74372864.640301,32545785.5393931,31272895.0360018,25493640.9049215,36268419.9780446,17807667.6649115,44368954.4533764,23943308.171593,26131517.9563549,26880199.8493822,23591392.7817448,16347568.8049062,18118338.0999846,112418626.025547,225132976.913419,172962483.428064,150133004.485526,50201104.7850766,106685244.552454,154920358.688812,196357205.892748,163270767.429478,89500809.1064159,307369263.768057,242887170.265019,93121969.7166685,23649279.3110864,91646856.1288937,112634109.809037,152214268.985943,96513508.7185507,200920529.181586,121832445.182034,95816176.6140959,148292793.802211,113964267.21362,160749018.2126]
["1-Linoleoylglycerophosphocholine",0.945886461538461,null,null,397.7195,520.336974626044,"MS2",139524.273782342,136153.160920835,2200968.36975224,1972068.64502433,362829.094385512,1452848.82216797,27702650.5229733,7060935.78029431,41615068.5562217,28430298.4462526,14791202.0200699,5976978.93070727,15831017.2402099,7182965.15593806,15373839.7600493,9993974.17766377,17613218.2208831,22389372.6324692,2968082.85128905,3733031.35056412,9973192.3732522,7396850.32917718,5901760.61327343,592793.545137532,4783002.31378558,1917013.9506552,4205120.7614362,187851.749271166,2804918.92884753,1563330.63586133,890829.933465935,2910889.08902691,83531914.6575508,2090629.78497309,23454598.2994564,2355302.90531248,89472.599822998,1236969.71278409,1357410.58453239,1626342.32098131,3056306.07761405,2154473.60994039,5408271.11344393,2217836.52763139,3680544.91036206,1729808.95975327,2409096.1432071]
["Methyl isobutyl ketone",0.945375384615385,null,null,33.80055,101.095588503239,"MS2",159614672.37706,174681680.593511,152158209.094295,185039299.387226,166521007.155338,158237072.171218,157143469.114663,205387003.342146,140661240.539276,158875781.540578,195278222.469039,175975225.970801,156053425.165786,161681447.340145,189335039.246214,164964070.579778,162629339.37979,134342851.20115,153116016.881026,198559910.197617,138550775.770356,179436526.775812,146005345.361571,143808454.107691,133215115.745139,145773586.769091,139618248.704211,186734313.073039,152581994.74193,156772652.134076,169887280.588279,137762309.725479,158751476.143763,124204133.785944,136305129.67654,176836152.084663,194687520.403537,138768278.780206,142001126.328694,131611464.87687,136726941.954757,143116975.004944,169967193.329832,151341657.874412,171067471.128157,148851024.945615,135231131.932447]
["PA(10:0/10:0)",0.945095538461538,null,null,501.623,481.289858595786,"MS2",0,0,540501.893411575,418803.311643517,0,0,3407984.84756046,1695154.83431055,6786690.38881077,7159036.66434226,12908064.7420012,8427441.59050782,21139408.8174099,4240580.65136185,8431145.21487177,2294647.09193457,5936095.00416468,8212673.21513782,206868.768040093,9072949.82121631,5934150.25451907,1650877.92990886,12567731.4454631,313433.737151786,1592630.52377775,10580099.7520904,3640804.96580358,33015.7312325388,670194.00550653,5587040.3842043,343496.27184283,5839358.91680157,8213517.41821324,871612.213854971,1447730.23651435,410585.559789403,37527.3867182831,2188351.630496,1690926.64022943,1001480.36696591,1792305.62341071,462843.428542726,1141819.03566524,538863.235373765,2252123.08529464,1958264.58592188,894795.660856389]
["Ala Leu Ser",0.945052615384615,null,null,156.513,290.169618192132,"MS2",0,21530.1639626062,1753301.58666182,1907295.90263493,701441.272922317,381757.447898805,3343544.78399375,2556841.93676719,4055903.87825536,2017317.88344634,7239057.91312154,2805378.15347471,6611704.23833214,5424511.58243856,10906257.647798,2076188.24181719,4031609.72573585,7632844.75852882,4761435.49415247,5673531.57379917,7178920.57867449,4149533.22049844,12472991.2282378,555954.321769774,1015860.80196149,766195.939318455,451878.900997316,446083.41152627,968144.346756349,4744553.00390519,735842.975642038,505705.563900987,564505.795191613,941504.810072646,6555970.6658416,1119989.34091443,984770.30878039,781503.034658391,517410.871608632,1024277.94370502,2338826.92509197,733941.064936856,1475045.87787339,764820.983013153,834684.80570159,657916.18746812,3004252.18583444]
["L-Cyclo(alanylglycyl)",0.944882153846154,null,null,44.5722,129.065611342432,"MS2",63879951.6093516,36955194.1010993,175570.090741381,85969719.9215778,87546488.5388947,25059180.0468554,886157.3473073,481263.340984453,92241801.8711708,1451885.72834419,1385717.53042917,1389952.92441283,2736751.3651199,1615448.25084521,2137376.89058193,520191.697134791,1608032.85261009,1036615.31245738,916533.134582054,7537860.25758044,2310295.78561337,3169645.33982782,4934721.60536174,823866444.071357,1043476966.72261,1846638332.1235,936895488.916476,167639.703527675,1742191.29261174,656311047.106864,1093352094.54713,1199696.40807508,1056774689.36068,1266696.05807751,7131648.45304859,2526840.52015705,465513410.077393,1265513915.48033,1401535620.43947,1286863.18528959,412377.690928641,1089469.49757299,2142641.8514935,1239430.6127583,1030883.28199081,683423.64522838,1556356070.91343]
["2,6-Di-tert-butyl-4-ethylphenol",0.944583538461538,null,null,444.9085,235.204554094769,"MS2",4258902.34594152,4448975.23503663,7261323.54961873,5252239.5906548,9313818.02996943,6109241.43742031,4395085.85425885,9030122.72852017,4942620.2851107,6270748.01471321,6168316.99141709,6003139.27315253,4533244.24469919,4846711.05454018,5165672.87840946,5909212.74990312,8960850.2049676,6348676.71978624,7732203.87910799,3978265.9183214,4316880.19257779,6458545.01602057,7430959.54940148,5609968.81225393,5760977.3366321,4648994.89290992,8673879.31920081,5943921.16666295,10444644.5816599,6166693.23789413,5390012.44742085,4041151.01774121,6212640.45516742,4105735.25432051,5528126.84905135,4224639.58478714,9502408.46257219,9763558.01702677,10464966.4921818,4038456.7915542,6008952.67692661,10603572.8869024,4911956.8472957,7840632.55384858,5420460.85853105,4028531.72021124,4746095.98540778]
["Piperidione",0.944524153846154,null,null,632.4475,170.116838258447,"MS2",14236006.2119186,21645307.8380187,40139446.4745167,41505378.9917771,19142214.6261804,7329521.20294639,56375616.9617588,22170931.4070136,28212649.8901644,16448403.4001932,26274505.2448631,19308523.7317149,42715732.6786428,22443373.6943123,28527610.7483245,38675196.2405982,18453142.1500416,54404704.5252693,6378072.02685572,61094418.5354035,15461452.7753142,30120017.6512523,25005047.4292181,22006311.7936394,22048029.5148556,16953954.5191875,89134558.054106,34978445.7906956,21560367.3160855,19625877.5100832,22816122.9870789,24477828.655893,96902680.7386264,75509930.2070343,37368569.5833038,15228304.7191606,28167832.7691429,52822721.6190233,25442184.662934,27259970.1925314,53504312.9275131,59674791.7503995,29780291.4233537,30416586.1696616,45438343.169503,28097489.2369895,118110345.241862]
["Leu Ile Glu",0.944126230769231,null,null,180.4625,374.226600448357,"MS2",5062.20937253535,11157.8428607983,546651.296999607,549809.683834821,64455.5722710288,7644.70996997878,4309385.0643457,1035244.88108333,1821108.45052802,6245685.95182679,5985192.56135061,3767325.99164663,5367414.82450001,2204660.76570052,8157953.86400362,908670.672719768,2758961.65942393,8493647.63201154,5004356.73195827,7916515.75788343,4077334.50664009,1874226.48742127,13687928.351875,9550.19746948923,5778.92727185786,0,0,0,0,179432.288567351,11543.4402433662,14462.8382317116,6156.81953105427,0,40075.3081692755,8088.95979619891,6717.42781781405,0,0,0,21313.5600561019,8728.03510619234,25473.1948508822,0,53789.6131266894,7055.55777447262,5686.71659435332]
["Sulfate",0.944023108,"Ethephon","0.14630970940508",275.52,144.981597664838,"metDNA",3249283.41783342,2470536.04800023,21062281.7187788,60189341.5414428,16625358.2931428,21629249.5142599,5968406.54057147,11978825.7536719,5753383.26828579,28342541.1195209,16661054.7399478,25342209.5854043,26511620.4766389,33830926.8355365,16410946.3065729,52583500.5849167,24553037.0717499,35810753.8879964,19176075.111,25201684.84175,22917839.2376923,16893921.59375,28994922.70134,5219389.42420018,33507143.0550001,21472492.4355278,46033578.6664916,26039748.9950295,23068814.4197242,3662608.72937498,30632791.1698397,20318705.7701851,14403068.4474737,34760691.9283044,12867799.565647,2291849.76899996,29494972.0994445,22116898.44,24709065.0449667,25926112.4620781,50234484.1326563,29340026.9040563,16949957.0843587,17633021.4326086,25747379.425919,12374823.7039001,29213888.1756666]
["L-phenylalanyl-L-hydroxyproline",0.943883230769231,null,null,161.882,279.13240208269,"MS2",40036.0275902295,82213.6798425412,1960317.57635236,2208510.80730625,498791.536994714,297118.839529873,8678291.07702218,701745.540669644,13247912.9002735,8563777.13629556,7427104.82448704,5933955.04964147,6466041.83787218,4207403.5522772,7123219.2910652,862950.442760852,6488763.89055434,4324501.32958583,14058266.3056398,13385001.2050625,2661651.6397884,9238943.79382911,5182365.60506663,136986.703050888,3906952.35882044,683794.51621224,188987.188370526,48059.0232236615,69355.7506227303,251860.566467548,4457328.82265511,1470971.21634265,150459.384509623,177971.070069703,223248.049363875,2340300.38709375,57617.3963512444,1236281.81330215,381863.887615417,725069.943621095,2823095.5532158,152709.109045784,1079155.54430508,738320.926341407,2684053.29179217,290245.31472461,2463376.44430469]
["Phenol",0.943695273887162,"Acetylcysteine","24.9391540712714",308.8975,164.04164243777,"metDNA",3423799.14363714,2902835.48971446,3976997.4481875,5059172.863597,3681023.3479928,2964627.51848476,4172276.30636488,3540290.54830292,4501833.01418727,3567391.18679285,4554826.60191602,5180401.46216631,4622948.78396802,3379771.40910477,2774252.51839788,3524643.26756748,2437051.12440696,2652721.5294375,2950313.22743555,3709434.5697372,6909773.17047777,4321555.43149785,3325271.7504539,4382949.62764286,3104885.63157353,4576929.65031188,4767392.0923392,3914095.3197061,3765037.17748783,4967917.76360833,3669320.04739004,6547852.90992857,6370907.32109374,4842308.6372103,3607853.61400587,2886214.06144199,3966746.52070827,4667168.2842339,2269785.91565243,3068187.53268369,2568215.3590117,2982239.39455313,2574552.94361718,3611780.21822541,2941657.77053572,3915919.88673959,4699814.98585146]
["13-HOTrE",0.943407,null,null,368.101,293.211871473449,"MS2",970471.593607639,713121.1988268,569305.41176062,882767.912522412,808560.285647064,1090161.29207687,4898328.93000767,4392985.47494873,20997904.4667532,4926363.70217468,6620340.38771295,8069496.81753907,11931526.5939087,14539740.5978872,15328491.8444167,8115077.88661397,14661061.8372321,12216874.3149803,4322882.93317709,25559549.4793951,49608032.0565576,8947604.15311406,13769572.6662612,1207162.11358655,6007886.71541263,1670669.10194858,1929587.54637536,1110816.71214988,835845.392896627,1285875.17707254,4042714.53428387,6071167.71504407,12885258.8325117,771195.290114684,882473.25799262,2725606.730521,854438.932773739,1015376.16352258,6881334.06111485,6993246.8666723,1269065.02747926,2497641.78411156,1761836.51835029,779101.410198784,2234620.63509439,1810665.43603795,2237928.54497568]
["L-Phenylalanine",0.943248438,"2-Oxosuberate","-13.872933925731",177.421,189.073167538126,"metDNA",248042.707884253,306736.51129653,4506787.37585281,4584166.55931171,2616669.07598869,2022192.23610307,12051166.1462759,10997168.9988719,21369477.3317625,11876104.1738786,25264196.9747419,5054899.89328618,23394876.918164,17809093.9195415,18256843.6792008,5273507.8305922,13995891.450632,24470992.0837262,10023413.8847158,14929558.6471603,17916365.6543394,16468964.1943547,21311046.4425575,5580275.35473884,9034811.73840732,9902440.72843886,5927858.35296191,1934342.28835714,4296308.65329041,5545835.61176653,24533053.6097359,12273968.1607416,4222207.63758432,27052698.1407593,17569749.6129032,5429004.23198236,1608479.95250893,5628815.77649238,8505186.41303061,11108435.3539792,6904564.57010195,17985846.2119713,9604802.60947355,7586014.89435231,14189073.9608334,9949762.14896142,22556193.4997865]
["Undecanoic acid",0.942929,null,null,385.4975,185.154390360402,"MS2",13373477.6425715,19171585.9128437,13466285.7197143,16170539.1503311,14859306.4760797,13111565.9470714,19407636.286503,25957587.123,16366031.8384482,18451693.3178506,33285581.7893172,14575698.8575714,15600904.8335767,16466761.1841882,16588178.601551,14714346.0470417,17205913.4360732,17643511.9446726,14874166.9105715,16071972.1013808,18501764.7491016,15538807.3647857,15429770.4523438,13282944.154899,13487959.6477012,13570494.8451429,12748187.2674419,13811918.1525,14935315.1023971,13756296.7493567,15120014.8550145,17012631.4270714,13581305.0692753,14104469.4235714,17732307.1531491,12525389.7173394,14452425.8022857,13073100.5334811,15068932.7576308,13181402.1586943,15501175.8525,14113403.9781428,14113619.5133612,15251955.9409285,14151076.9393169,14647923.1084591,15280958.7533572]
["(9Z)-Octadecenoic acid",0.941563211821294,"7-Methylinosine","-7.65081038443259",521.3035,282.25115622686,"metDNA",806882.053947979,160085.093095742,1149850.15419757,1949016.83247994,177431.108290522,196560.282160881,14989408.8846972,2321009.0385512,11571984.023857,6821851.0379562,18108818.2546554,8183432.77470534,7631792.95148584,13206625.0734457,14852792.0859945,8915503.71487494,18355834.1894063,7788555.99450174,3547063.16273851,3325140.65395312,11264879.0865058,8197110.09064731,2989663.63572214,905258.601330177,935669.963279128,921006.994873469,613340.34616681,175966.39316461,536881.435760569,365624.099376073,630459.410632046,959512.864075016,1570344.01322061,732675.580242192,1705968.74503262,633133.461852727,482152.906053017,480848.374864808,1151757.94470216,1049222.25869675,970608.511908892,855907.7648943,958328.317649781,741627.915937495,677903.303159887,990760.276357076,514416.999891877]
["12-amino-octadecanoic acid",0.941123692307692,null,null,362.3475,300.288129700075,"MS2",726290.762418484,788803.117904168,4180519.17327376,1088355.79839168,421467.529769964,813370.981755674,49428891.1817923,1968961.75577679,32990574.6167586,38326500.0146388,27280688.3310668,22643965.2913643,21947699.8551362,18171315.3018203,21457403.2387087,25557605.0780479,43075812.2810113,20189289.9066746,6965349.35712574,1644827.22309609,6087672.86452128,12370006.6715069,10802489.7037168,953249.426733725,2949440.03513328,1762171.40426786,1326926.25408745,3299347.8869057,7319559.67549488,2100335.53399826,8274523.00058506,3389333.96941455,1259276.84608407,4743043.83332878,49316059.7556542,4402073.69967858,803679.635708747,2273138.37094862,1117844.40214811,6903894.03669387,5000263.90778569,2073135.68834781,5873932.36589744,2234606.44081376,5769904.75199687,2122874.34900327,2293476.53549765]
["Benzaldehyde",0.94111296,null,null,304.1,122.061019120476,"metDNA",912056.208801766,896132.469052291,666012.817205358,1025697.70811672,981801.765699018,872808.971914019,372133.517003632,859378.735904609,267898.706281616,376486.651628435,599187.090020114,523522.027017373,61988.5189843779,610305.637780456,481317.448045754,547032.878229535,713528.936221994,175553.088642778,684538.487982948,845271.710282051,248625.995544643,305066.538051089,364231.309587179,927363.180969954,861633.822782786,1031343.39910082,1038871.23543731,938894.853631976,973137.01649777,626666.890002551,947508.874193064,991197.197993107,649123.809627263,719526.626285843,942860.706627986,901519.739196795,917710.022432697,707998.306542968,933006.495582283,600147.123350723,878923.734183807,73522.0248203144,874192.086654676,916481.01167901,727680.5076336199,540663.69024625,867439.059868217]
["Glu Leu Ile",0.940959615384615,null,null,214.1195,374.226576247476,"MS2",6956.89018771904,0,400349.488286437,902435.320801402,91922.2086344233,5597.60384130478,4996117.57839254,2199264.89243584,5554427.97892968,3429398.23379258,8237982.30965279,5142589.12071047,10261585.4138841,11145159.6037966,9273266.59433137,1840277.49798438,5549226.21596484,10467087.2367513,6005332.03295195,8680465.47909494,12798075.5288702,8674704.2080238,8315798.5033258,12912.4231751633,28497.5839881515,28342.1209360747,16009.2076368279,0,16415.3728487667,83690.3418311681,5518.57767113686,18110.1131206821,13955.273148036,6307.35147148371,170592.019740862,20146.4552307129,0,33247.2648442458,5059.31408933401,7868.02217424393,117955.177781128,66942.890427219,18318.520696842,17655.3193871835,11559.5485419035,0,25132.0414326635]
["Bupropion",0.940849615384615,null,null,282.8125,238.099486177434,"MS2",111249.018050453,1531394.56812814,39293085.2891617,74845254.4123295,29390755.6901249,565158.060721084,142433988.883225,8129963.25569768,518013343.792761,315339303.25603,91526693.5657188,111360483.634234,256583377.107623,161250504.948,246040469.027974,195342331.013544,156051177.194789,269744041.307399,203162745.607714,144712447.067982,375001452.138857,352614712.572352,279322928.134172,1913574.36025781,22948583.3092315,6697482.68840621,15761775.276968,9540602.91162828,13108895.8177284,63076934.7031648,2919413.82886452,12887719.971602,24974096.6711876,12582472.7500016,40660042.9981099,20335739.7606731,1419361.14635433,4652091.7999041,2110170.69016892,7344170.49961905,77452479.2767003,27057453.8711531,25471250.62325,5079823.19220594,20782364.0350777,15902740.9016347,8907139.55616101]
["Asn Phe Ala Arg",0.940730769230769,null,null,476.2045,507.269132953533,"MS2",1650538.6136056,1991282.97534269,1963058.24588184,1554655.44374429,2277699.63318228,1496651.74096915,2742452.33993335,2094218.64528619,3059478.90792014,2036827.23990088,2098604.80782637,2061724.63153941,2044633.87273933,2478749.04675131,3470631.79378126,20823324.9090097,3247206.26134821,1633172.61033952,1875914.71448072,1984970.9397948,2066318.76411835,3190908.08024142,2023602.85670993,1777179.33903967,1913976.79279161,1750913.44764562,2177929.99422135,2121386.04175781,2251913.39099175,2191656.93222858,2103278.79098195,2027592.53606547,1908401.67838607,2113200.53974132,1622978.16857559,2045444.83486664,2051510.25387663,2018256.76291659,1873562.55787512,1827977.47866251,1863373.06711694,2336189.73557045,2484073.67862512,2046651.83431955,1945202.98752395,1799135.3451457,2474678.52337891]
["Cyclohexane",0.940533266999999,"Hexylamine","-4.60135501843804",314.3345,102.12721130914,"metDNA",14987274.5418358,20648763.7281914,36720603.7818457,35309687.9140028,33158960.5222183,8905151.93452114,10226334.9380864,27083028.4939024,12834593.5608391,18510808.9016667,21595188.0263268,12701404.4168014,3235928.35659193,23493382.8239272,22509467.3301359,77551701.2937946,2436395.95153648,2517811.36885901,2383050.92543551,27530170.4916819,5342686.40655418,11704510.9479702,13987467.9931354,3180083.54637629,3283087.67741633,31994334.3032981,4092740.00218755,2680268.49466655,39171590.339143,16685490.7105714,26817886.9262097,46457198.0512538,31102018.1382857,27968985.1610428,20846072.3194286,7221677.81400006,14292232.9791429,42626609.1959278,3287481.47985228,9589703.79670382,2511585.92587959,34296723.012191,19112466.5717143,10239104.0091839,14080605.8023558,29878032.2282939,12449102.1329333]
["Gyromitrin",0.940498384615385,null,null,578.808,101.070443678356,"MS2",39997868.3720005,128739423.11686,87034485.8814836,188424807.045234,151530790.016616,183893275.581207,65871772.7192009,100228129.752093,119227683.181081,10270087.3749994,88692677.0581755,135964098.165999,108246309.974637,50156265.5404007,72138969.2739138,93370418.7040977,89476041.1495414,156124415.580445,205033078.716865,170839867.093318,48055632.8936535,64813338.8519228,58782554.046875,153014114.864769,229661156.765681,94866073.8267005,144997884.909104,181191502.864983,14010163.9313337,102599233.002875,13598657.196667,118532110.323159,83533690.7318508,10628670.206,88493020.3158388,103755864.044644,111567570.69294,87920236.9139524,74156484.0575997,136371437.04381,131418242.048228,18862438.2431995,114047213.012308,69724161.3275459,92055404.6622184,229449629.273687,121388343.939947]
["Hydroxytrihexyphenidyl",0.939258769230769,null,null,506.0345,318.239163391655,"MS2",1861588.28647573,2574854.12045938,2092780.24103571,1543855.1274141,2741708.40265817,2444976.21569864,2212690.77473347,3650845.86362459,2468177.91440976,2109813.98422627,2402142.71157454,2453185.22588137,2253751.391933,2838878.60336636,2065020.62475318,2085527.3707163,4345458.814125,2544620.51275634,2085098.59976786,1859922.4857498,2066298.96673545,2785624.51686319,2494378.68432429,2920377.90383721,2389692.29600018,2506884.65010802,3310010.9945519,1473836.48210677,3262047.86261904,1450917.81804039,3224545.70666118,2083231.87896998,2544181.05490197,1585411.92404687,2257609.47573812,2530315.92120409,4475297.88678516,3605197.59666173,3877469.12651807,2295249.7327303,2676510.20498363,2187589.51886307,2243520.87678641,2743915.2757334,2422983.4010193,1680565.30027269,2914705.92529687]
["AMP",0.939219843767946,"Captafol","18.6539985734857",131.9525,348.060234783396,"metDNA",0,0,0,0,1576.44819011912,0,0,0,0,0,11964.4234332693,0,98868.8229790069,3269.16091323463,13935.6500066293,0,11502.9794658344,4323.9593147147,7947.8909578758,24022.8257892281,8070.0998076172,0,6578.63091844424,19119.4794392674,2385.06597872521,5632.23451081965,82050.9515818695,0,65676.6268075,6752.92148555482,13499.8578321118,56133.4190366942,2152.41492129175,158715.315774903,354272.733430721,92843.3751546224,0,12238.5753195537,0,142282.313700728,2538.46326567429,53590.4091232747,250189.995266741,45436.2702778157,112834.306478482,81191.6257751346,52025.1254393047]
["Milrinone",0.939159923076923,null,null,241.1205,210.068431360001,"MS2",16368.5379678706,151977.4858546,2302071.28023318,1424880.65379839,4599613.83799479,1467230.88266848,2224670.12593848,12908802.7411448,40653732.1810983,8047504.86819879,6148290.7129855,415051.490024608,10355743.3395343,6543797.16316106,11794567.2099384,3696299.5413883,374028.758640173,82814418.4690328,22768722.2243047,12922122.3484981,49588058.0946288,8248981.7521918,3543842.10043746,598935.929927872,4537449.29602196,835535.052389938,783921.191318264,2156381.12820154,2075698.35518523,1601070.59442058,1430639.76137796,3356941.99030239,5547220.40298214,4462957.65842749,6572012.43736607,2847163.90149533,253059.856211101,2739133.55908203,582878.427247768,1531849.73161601,4315102.84284383,3140290.08240712,3359286.23850405,962330.975175927,1792678.43995474,1976463.97179502,1130242.81629916]
["[8]-Paradol",0.939158538461538,null,null,410.134,307.225154500567,"MS2",896320.429938731,1566111.47562834,1702727.40909375,3977018.56447105,1680651.1915705,2335304.78686607,13638775.9122894,3237161.92572456,8806131.53328716,17844076.5319411,19474779.9131846,7444527.56093091,5043949.15212061,15121712.4822953,19453138.0321339,5593381.66063541,13070726.062482,6125374.48974549,4437790.48157737,5611763.45183644,14042932.0338492,8483549.75999898,4321440.01439813,715533.343121093,945862.370162609,1357205.15874709,1216001.35567315,879705.435048992,1062518.45336386,670928.801658081,231580.010141469,1168943.38927344,1109028.00047076,1092045.05617238,2322346.8825223,1500868.2345029,381494.312519058,331153.468220479,507632.589916105,1117595.44875781,1272746.36820735,661994.772224444,2278623.68532332,1072890.12497629,828095.953089333,1918770.34717188,381270.660756738]
["Thr Leu Ile",0.939128846153846,null,null,210.728,346.231862021046,"MS2",0,0,924600.858146808,665900.133147323,132924.466662264,63288.4290400556,2828873.52220886,1284715.95154664,2137925.20703979,1597750.56293953,3029762.43514143,2658924.03952266,11033096.514362,6744888.19492382,5059022.21095761,691152.867318114,4626863.03610827,32636211.3429858,14850644.0491913,6805863.40824812,20216997.4938895,17716954.9886406,124614850.363651,5258.89461284024,16084.6219041411,5694.98644986749,0,0,5520.93281868526,14959.8429153902,0,0,0,0,111114.416128387,7829.09711920257,5576.54211032816,0,6112.80253693461,0,88562.079641968,10700.6215642691,12787.578508412,13083.3134921896,0,0,6076.08068189798]
["1alpha,25-dihydroxy-24-oxo-23-azavitamin D2 / 1alpha,25-dihydroxy-24-oxo-23-azaergocalciferol",0.938243538461538,null,null,366.61,446.324069723047,"MS2",116684.177159752,484811.285927242,255064.96576161,154357.889978027,96281.5800469049,82651.6606300899,3132245.46973915,445474.125819065,9089431.26290024,3314480.42503277,1881222.27668445,3835225.16419493,17558935.0770369,7008903.3990411,13229000.7530757,11342738.8530854,14254218.985075,128670747.494371,10532040.4878499,3616952.93102092,24104621.56355,5041916.83125,13106245.3061683,21881035.2922,15862910.7733152,284465.155058035,10955077.9038276,205789.319134766,5028100.15461509,11857221.6247136,8792190.65956426,1777087.2830408,3832234.24915127,343120.050436821,10127706.894932,1758564.58164803,586434.985139251,1348562.04787379,1259236.38784821,7126168.2806389,35463015.100831,3837286.44514928,6675895.6255794,4043170.922038,4359570.9072524,8883775.02103077,4894010.08040072]
["Heptanoic acid",0.938184769230769,null,null,245.228,129.091945575541,"MS2",8121129.23914941,9230940.66838034,7468878.15340795,11400292.0105156,11266149.8670733,9155451.91865626,14012687.4010554,9336211.00937981,4638493.96768029,8733799.37402265,9871323.44561297,14578938.1872316,6407601.44138104,10674700.1359113,8168435.14965986,14441069.3657587,9312409.52481251,1870689.40889092,5514301.75725001,8406113.82416666,4078513.36658425,6807559.45892599,5811568.936625,7287948.38838719,7133818.12115789,7367790.79189376,7959299.04306729,7296364.6753758,7422009.86384617,12253095.3287668,7787656.23957735,9515106.58474358,13388179.7612522,8699670.41093751,17975646.2038672,7365531.26245191,8488587.77086668,7411090.04107344,7898335.81305525,8397070.07640264,12422113.244211,7804185.33279565,10169761.6795683,8482121.91413719,8409431.93896216,8634253.98329529,7518452.87839743]
["Asn Met Phe Cys",0.937426769230769,null,null,333.672,514.1787203784,"MS2",8412.23647717466,183412.465050353,6105084.06021427,5737131.48626456,5989111.88889047,0,2885975.09539433,3258070.19977201,9135605.04188269,5404903.36284623,6777788.35362372,1888359.0454385,8981221.37323681,13736994.3467435,6252024.6293125,7578343.583214,3815358.52442265,13615356.7875595,7594899.59387322,7313922.19200504,16407302.2076787,9136979.79742629,6767993.08796612,203007.396093749,6168515.40831113,1616553.38394643,1690995.48415643,2734284.66791919,2916259.49806854,14297271.0138429,703322.981384235,3951340.30894313,8335376.03241406,3039891.59523214,6808308.09655721,5094318.4418408,405019.231965735,3676417.96119347,402671.761852837,2264778.11227991,10891232.4667349,7298263.54026154,5865904.83991111,1212799.7725211,9751043.59653666,4490016.20263219,3384176.92244848]
["Pelargonate",0.936895615384615,null,null,706.92,157.123126521669,"MS2",7324538.13079219,4795455.8701515,939433.233281294,10601261.824725,7196130.65291531,3326637.49774997,4514817.02303909,6335162.69163247,4415031.83850665,6864229.54753124,12230788.4415521,5793405.71239921,6772625.29072455,3881512.12952775,5409231.42556563,9682213.63358109,4958711.22962741,4838813.80977782,3304463.09952941,6373370.42420835,1029591.74690621,3218649.83137507,7895384.92845948,11215950.2547584,5132441.141862,5448505.14181035,5895563.95065005,4766430.60384613,7400442.87562503,13987315.1162857,3561167.8812007,7095294.05047851,906790.375468696,3294450.74418754,2519867.32232643,5541045.64762226,5952996.17694003,6919860.1376029,6892657.8419118,7350276.75418268,5117676.02882594,6079061.15021965,6315825.64315998,4539380.98322185,4700242.87821091,7153085.78905563,6289560.40535001]
["Stigmastane-3,6-dione",0.936845230769231,null,null,629.722,429.370321699969,"MS2",2041676.9267627,9827357.59119975,6398808.84709502,19355089.5785937,12107364.1214352,425725.948646181,545778.044421514,106154.363753905,1761791.16864086,8629565.28562504,2020253.58942208,8753456.49185819,16116931.6817962,4906256.28905063,5688319.52928569,5008276.59479641,11750910.9466218,9891589.85643366,5824604.33287178,5593240.24032808,599005.154039138,6206716.12040469,15836801.6528191,7984596.22331369,11721921.8954871,12928225.8526042,1142833.89758554,506586.57223342,12843599.1913186,5029570.80170205,22495560.312079,13813125.4588852,3176793.24758386,7424753.25202282,6668618.93611007,12827841.52356,2665164.05111259,8120949.34968606,23616519.380988,1283859.38910472,1310895.65038495,1392405.32935152,8754176.01201444,6201232.84772027,4421224.4236758,24001502.1984652,1934299.84037505]
["Elaeokanine C",0.936834384615384,null,null,294.889,212.163558296519,"MS2",3282208.12000703,5812061.78025001,3628344.54643683,12471935.9044093,7531096.6449643,5165159.16985716,3068574.19850894,5339369.75140626,1863350.99446128,3880550.83975001,3138223.78484237,2866933.20407129,3558478.1223125,6005094.85129685,3462892.84712932,3544716.13858442,2946535.38787099,1924918.45205869,4507226.25597098,16440621.2174671,1934155.34541407,3523365.60445429,4056650.70158067,3506000.10350059,3950594.76780183,3347943.26552667,6756391.78044682,3929906.58728366,3428199.86995684,3550162.08229688,10340161.4201785,2963592.33086589,3267308.2465931,2896018.28399331,6759232.3040966,3299256.42608062,3285833.67808267,3326346.99736579,4267543.77275152,2556273.24329341,3451764.18444364,2891836.27499429,16349932.8584739,2843056.92497635,7480131.93350291,3196801.15423472,3155860.67169763]
["Leu Ile Thr",0.936077692307692,null,null,182.8195,346.231806385765,"MS2",5248.72037883954,39506.0622233464,1532093.764172,1688265.32048334,388649.852542023,250192.520963152,3244267.82091472,3312895.59232622,1978895.63149505,2621604.38908114,7606971.52913195,2832196.52378069,8897248.26085694,5254878.30092457,4754211.24518042,2212021.90074643,3637882.73773325,11227345.0032035,4310040.67799148,4786904.72590446,845421.138762718,2720629.81508036,8992077.73234021,613081.121772165,1605370.13993888,1474388.01294909,2994217.85229572,713564.550019634,3386465.84305773,951520.631165501,915404.88583467,2777987.74411622,852686.51599229,2183394.53935596,6104216.93945628,1380145.57562417,77193.8859686619,590025.582922923,1035217.7297236,969770.665473878,3006251.1785235,1834768.77166826,1660706.72643363,1291516.96249922,4387322.83277768,1818940.61463895,627940.510188027]
["Sebacic acid",0.935351582999999,null,null,282.095,184.10552980272,"metDNA",86152.5636399334,83372.6696248227,170617.952565173,0,87052.5720449686,57953.4694708949,4491811.06369944,218574.317082589,3422187.98527877,7697114.54221874,2530413.92314286,1328184.74313175,4889793.04725097,826893.746882457,5105937.01733637,0,1562467.74579832,6774446.92371462,0,471597.175383697,8035287.18107143,1975631.34182142,4595752.59417293,474898.569397556,486202.91458319,522203.145321143,1025579.30121901,105076.130055877,806315.59873125,65145.0523095131,189418.842884765,505228.245499567,216122.399942628,355368.870566173,731999.56467857,1111649.40857507,67592.9304411014,145621.607791695,251670.088703376,525635.863473633,76026.1917187536,368395.77118259,2242084.84198436,885642.586311139,776586.180445313,512884.562283654,74987.7815278769]
["LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))",0.935096692307692,null,null,395.8535,502.289986467575,"MS2",211007.078578067,549299.016810405,1164161.37279595,1112985.00474107,1109171.98048803,1086576.84020089,3947311.25803185,2290402.49459881,5897999.64099344,5812912.6135622,5279976.20683751,2655846.1149647,11058415.058835,3263028.60813713,5513517.69209518,3970908.99643198,3588803.40696772,10225040.3759055,3253454.10972757,2080040.9513842,5924826.27947343,4882149.65285751,3503873.54302691,2146951.00761123,3492129.01990178,3699527.82717639,3081546.0489984,2618177.11945941,4575322.33770936,5403503.36547376,2163824.44025205,3531668.49129708,5412005.08072835,3644340.48407485,7792954.42084756,3723326.29890918,2423583.69184996,3126987.57367139,2808263.5249848,2243057.16915296,5496483.40925442,3495612.51961102,4807602.31227865,2948887.32481958,3506849.01076625,3376942.21807546,2492746.69888836]
["gamma-Glutamyl-gamma-aminobutyraldehyde",0.934916053,"Felbamate","-4.89784374260186",141.904,239.101510445935,"metDNA",4667007.4498113,4402785.30025692,1265984.68977397,1499286.50385606,278730.674721802,225276.484730698,1762141.41550088,1211024.96696778,5083455.22675926,1211174.5823563,2912167.62611443,1453353.15453692,5008451.70893555,3090186.47871981,3702466.19988754,938670.645161147,3047832.44827079,4462119.8088411,2115973.10933978,2613233.56306665,1522825.0617697,1627950.32302246,3083139.70400892,4359819.90212293,1390018.87222131,4565271.83972626,114701.936924072,4121920.72600422,4224488.87529875,4721133.76061476,873733.994617969,4469166.92463463,4177346.11725903,4874761.84525611,2670071.42765891,300020.768340929,4638292.73286583,4913208.18782714,434325.520315813,4894310.9702075,902389.501465782,4195536.96564944,83693.3599005684,349008.685298328,4419523.95833391,4083980.28097424,4325141.00563883]
["Leu Ile Leu",0.933206769230769,null,null,233.036,358.268060910489,"MS2",7268.31884765625,10073.1531992853,1351997.95411431,1174783.35535913,146527.919280599,184310.360630453,1509927.35679147,2173506.56296338,1796250.89420759,3502740.54106568,9016523.34943114,2612930.63066518,11991749.7970447,10873145.5220071,5282695.83728907,725051.33651953,4605366.91948474,26051383.8547685,3063084.32020601,17428409.6781318,4892507.98841034,11112008.4135537,37232235.1649209,0,0,0,0,0,0,0,0,0,11887.6528672641,0,246862.420972231,0,0,0,4969.99509371817,0,36952.5514248318,0,5802.32233280407,0,6319.35694353316,0,5656.43122104473]
["Styrene-cis-2,3-dihydrodiol",0.933111221895756,null,null,350.199,122.067553526503,"metDNA",2501310.40281801,2877018.97153262,2833825.50088393,3290913.68600891,2507481.82129018,2411173.2377566,2938515.12590315,2330414.93501168,2444725.16609776,2103233.65629976,2304168.06223662,2981465.88793444,2903007.92578784,2692561.55242998,2326008.90981296,2547314.01398275,2550486.97802026,2487517.48067757,2454417.38170163,2559421.87736219,2827001.75057117,2103596.92771094,1902600.0559798,2551279.13414423,3017299.03023763,1987284.92409999,2436916.06264502,2540783.96086478,2280883.60193152,2173630.63672637,2637995.68952677,1939948.01769125,2381840.48870693,1913203.99439995,2577033.37275865,2438379.78741965,2882609.80062869,2022757.70183036,2232338.88849136,1800833.638808,2949589.49709746,2539188.34183487,1398338.89268762,2051841.08037003,1689018.9040187,2062568.31094709,2427214.80167349]
["cis-1,2-Dihydro-3-ethylcatechol",0.932378995340802,null,null,350.196,106.072575268561,"metDNA",1793770.9542688,1924140.45050089,2160477.34701112,2623987.00331733,2034901.83017411,1733271.12854461,2417905.38093927,1629699.79665211,2097784.34539833,1705056.29095982,1897700.21750546,2293982.54619783,2495539.40408036,2416381.12816406,1862691.73671283,2014655.90615234,1999710.34340022,2066165.66278468,2136117.72420849,2218654.96236979,2309358.15485983,1785661.55567261,1739846.32803474,1801350.51909704,2289730.3841181,1199328.28941541,1841594.41467804,1914278.54007013,1583565.00369467,1568573.02975324,1803028.18699544,1431066.8725964,1828048.57139265,1443105.67237362,1923554.29652407,1665877.02616746,2105200.97210414,1432015.65505293,1680289.55315423,1338709.23890566,2547460.26510778,1836140.48267631,1002199.85688047,1337302.50429058,1205661.06566518,1492565.32892568,1733117.12842364]
["5beta-Cholestan-3-one",0.932277020555167,"Glycyrrhetaldehyde","-5.39032473142442",570.006,455.349527534527,"metDNA",0,6529.34900801915,6832.35790686607,0,8623.51738690703,9952.65986242661,379644.855882938,0,169690.307043082,670050.624908438,221032.76551259,2118961.05761909,195578.32304261,579606.646629373,64290.9995687925,336444.212604853,1673688.99693206,604648.994874349,0,1031598.43021893,610575.758777658,26476.8016184599,29757.9728712455,15137.0915054619,0,8145.15044524119,0,6026.4944832027,0,13979.8054722211,0,7396.99717625819,0,0,11225.4591134878,7097.6148057473,9601.81638878431,0,0,14947.561129787,0,11610.672236846,0,0,0,0,6820.91617840215]
["Phe Asp Ile Glu",0.931906153846154,null,null,298.237,521.221395212688,"MS2",0,0,1928592.30480909,4786029.10115425,515514.442982321,0,26411181.4038913,294771.928349611,28539105.2064555,40371680.8908426,10218395.6670619,12096552.9267628,14790992.6801902,10771240.9895551,16511670.1949109,13092226.1760438,17008740.7927798,39496986.8648437,8620336.91429897,6653121.56918523,26073718.5258669,19067459.1403616,25559333.1100379,0,469626.906415182,4331.12520741533,117902.311834821,0,5556.85001715024,5327945.79876488,0,37030.3082245036,412277.711842286,0,646805.168284343,139170.228174413,0,0,0,19331.6179803124,1492759.90598704,230880.962290177,164889.63510268,0,286929.877302515,6873.77979071935,0]
["Methanesulfonate",0.931536846153846,null,null,643.469,94.9807528625109,"MS2",9243070.44801122,7455774.43717546,8500719.65643102,5948349.53068456,6943892.36775109,8038128.91737768,8514957.83649766,8641947.88258305,9240463.05039257,8303467.4249958,8396756.42893237,8920815.92022953,9351517.73280722,8200013.46249199,7843425.4626458,10298065.3449519,9654337.82200675,10121777.3640909,9568578.02643996,8874804.85713781,11280663.8673651,9043523.88650807,9583249.41345034,8061865.12968115,9015592.71363564,7836777.06244994,7454776.54908642,6631267.14634099,7521143.03284907,8119062.82082124,6776006.77907513,10688791.2055664,6783085.29942108,7352124.49987784,7943492.03244337,7835192.51973148,7905471.39090746,7229571.30952111,7523316.8439895,8688659.62802551,8271685.55287206,6687059.23408743,7526203.60145911,9007447.71987096,7723276.51507956,7419283.3185352,8945371.29118127]
["LysoPC(17:0)",0.93098,null,null,440.634,510.352827214728,"MS2",25277.7103729248,20063.4556384786,52900.8467342377,228463.481953021,26176.7358675798,101214.808553265,6177672.97749819,1553189.93004051,2467797.80249179,5338376.63455078,4312479.88721875,3277167.14430367,6706839.85423028,2638903.12205355,6898063.59489641,3637142.67632982,7004538.14601884,11871324.575053,885530.913853013,1135060.4109057,6771698.22814704,1050782.27800653,3278536.12259868,136441.484951389,4886433.68097467,2232299.08835309,611832.961166282,105199.011969276,587359.117879582,572324.756394785,1355991.4547375,3691483.24553313,7160623.22201749,779307.711770251,2763102.11060322,482083.98134355,41944.8166144208,505012.705056324,675812.890422565,950880.961398182,1688798.44899357,838580.029102682,1145182.63907715,991592.92284771,1565691.66590332,893019.665949096,537734.164759053]
["Oxaloacetate 4-methyl ester",0.930184300751697,null,null,369.935,127.001138840288,"metDNA",16320320.5977,9563291.54427275,22266363.2657143,25631724.6834687,24374334.8288275,50232687.2618361,19430847.4800568,21946319.2780556,24505973.417845,20132448.58155,19150734.5189028,32433254.7940366,18586260.0726829,18890309.45114,19283034.5250295,20406568.1471252,19115805.2284788,29004452.2486487,19273274.1520691,19351774.4814491,18611111.1776087,19774134.1916323,18906561.9953632,21204615.5031401,20298813.78245,3085820.11200008,36807100.945924,7397878.82362503,20546362.6898799,19354869.4796117,25184258.7908063,37023150.207674,34365548.2770833,24392949.0441,37359560.059415,22510341.9249231,33132814.7367989,18814813.5202716,23422638.2297143,15908861.9412751,19354727.987318,24638077.4741082,17903633.873591,25802199.8682422,4026930.21574985,3157143.52341666,20813494.0641201]
["LysoPC(20:3(5Z,8Z,11Z))",0.929482923076923,null,null,413.634,546.352510055675,"MS2",0,0,6659.81215440035,58915.6691980362,7247.44926846944,6644.32762257308,5931349.7761166,388274.234339849,5189149.98848654,4112159.66416723,3412963.67251123,1554059.3253415,3675898.82698618,1833174.04872666,4693179.04734867,2283452.57603561,4389481.08490726,6397818.99356901,754373.384021482,441299.421013813,3355163.43120224,1694652.40879412,1783835.37080357,33404.4318302259,1081313.12492118,129332.159318441,666666.301771139,0,231605.972305028,133173.189224285,108896.393313775,668446.708851187,10759888.7749009,103576.771444468,2815768.20744522,822800.799593395,0,78040.6596822005,21013.2050320208,128085.44968311,271679.057608695,307726.690555077,905852.692916518,273489.987708059,503224.446442732,160018.583469835,215062.846626967]
["9-OxoOTrE",0.929385,null,null,378.87,291.196085122691,"MS2",47885.4963479122,61557.6032181048,231401.253470827,390323.050104005,124698.53156794,128689.077503599,1845654.31985726,1536621.5405891,4737656.84059375,1596827.32157144,3568629.13744419,2934896.10484393,3575990.13072938,5514651.59093982,5534878.4374083,3501010.45514594,3871789.34050238,3877231.81570915,1325450.23020944,10791217.9913908,14043914.6885277,3415213.34345392,4593645.75439145,337750.750566997,1184866.04811654,2090480.31334412,1354905.91832143,18181.1317495289,167094.174640967,112168.789034167,872171.987279944,2833679.6692634,2951511.12949873,295229.077876609,66132.3162143492,609836.18899924,134918.607946336,1200505.84026456,1645221.40644315,2151241.50294612,163050.461016014,415281.601587054,699977.761834182,264410.598145427,1873662.02686213,1296060.18593304,702303.194726031]
["Galactinol",0.929312769230769,null,null,35.3904,341.108319463487,"MS2",436161.484705286,1789562.17150228,978220.850626026,1374246.38634,1797727.325376,4362172.92946338,3356543.06116071,1866818.28078283,4594525.79893125,1330219.88152881,6306322.28456836,6056496.09233036,6937413.22150586,14576533.6034732,15170529.0931071,3404133.34340625,11400037.5310714,3823755.78291855,11738871.0356195,5135395.5516344,14089800.3918492,4391659.77418538,5592725.92467826,21845664.65488,16911345.5282645,1175376.36273728,1692843.63953451,9508855.31017734,34446172.8010522,1279846.94166476,11918800.1206316,2032758.9115738,247140.107229562,72088651.1338004,24995508.3877093,4526529.5746851,1545529.25705768,1250261.36387704,1426810.69556069,9760283.1665519,3711656.14672678,22474034.5714361,19845040.5665731,9363209.85573474,7312663.67795226,1046911.20573891,664308.638878751]
["Ile Ala Ala",0.928763153846154,null,null,157.433,274.174818360853,"MS2",0,152144.947322217,1653593.09041389,1993349.77509228,629271.913098213,780749.977598916,3995178.45605469,3926260.00031936,4375879.96257002,2153046.99887791,7504104.2737926,3533762.12377113,9591051.9360946,10785646.8779113,9486085.86079811,1677452.69028076,6024109.16386109,16715239.5381925,11286324.2968298,13598970.6184251,15814535.2778898,11051635.8646312,18043153.4986491,85964.0883586804,87921.3454512265,114023.247714049,50510.0825751452,0,26178.7827982408,59324.4442902345,0,32586.5096196082,103755.946655637,23827.4190729046,174913.748445312,48102.1938727018,33596.6838334348,115817.078454531,67461.7783967922,44075.0599014759,125829.750655756,26785.4484994129,40613.6028283834,71569.4904609323,66218.1028316048,43836.287928528,36138.2198742813]
["Parapyruvate",0.928708666999999,null,null,240.15,175.024469372916,"metDNA",1341931.55387253,976703.241931355,1213520.82261557,1110815.31521206,1307793.71093002,1127759.49929608,1253081.14985533,1113158.87548577,3451279.8082384,593932.8898532,1192109.40627173,858309.832049752,850047.640301952,1246846.39193267,801617.29458535,1218757.0655858,647788.635852711,3816930.06508517,912725.398421875,1426585.54913214,8141213.036775,1911858.03604979,5081553.36472992,986142.90350029,1226581.93175716,1092638.0519316,1114205.2920674,1149951.11645553,1058878.84135586,498631.680684374,1051150.49770481,1069526.1560872,1359328.36478455,1265087.77269831,1268501.58507017,1163284.66536372,1111532.24973959,547967.785745898,956976.871491873,1083809.97804523,1408984.24183599,1210468.97414327,1291368.93694966,940337.763026804,447451.952707617,1002843.87787641,1016057.14568742]
["5-Hydroxy-2,4-dioxopentanoate",0.927963606779967,null,null,325.985,127.001137890507,"metDNA",20965400.9584914,17495658.8280109,32838273.7384891,5041511.41433329,15706053.649775,13799770.898329,16466407.0131703,6208345.77437496,10130924.2988572,17516216.851946,16268018.9861973,27971551.8100812,16448292.4962463,17365556.5533059,17099341.2101467,16183309.7569552,17112222.1177063,20844127.5375084,17000495.6429048,15860159.189724,19838266.952,17146669.8095415,16453813.413139,9155077.90829168,19864918.2563077,24458821.6907794,25543543.8291429,22421553.8370834,19026628.5761153,16736275.1396697,36451269.07826,18473504.147,19788706.2079167,17190020.3508541,13056689.4614167,20028875.5804039,27793904.519,17722724.6333542,21033463.932,19353700.3583334,17202794.4027209,22691014.9383306,18804189.50445,24260213.2833333,4906228.40062506,19821896.8348149,20812034.4788571]
["13-OxoODE",0.927835230769231,null,null,398.93,293.211959598809,"MS2",1433101.54468123,1017377.58268771,1020192.56610776,1789556.69709375,1104503.36751173,1204447.95529903,2820375.04214067,3037965.57962277,3356273.62945403,2929495.68819212,5549040.5706837,2686121.65390177,3314072.00130813,5324822.59646651,5276657.0888652,3752420.97331775,4524147.29779979,2221797.48796334,1086119.26712555,5620945.57991101,7949414.69535394,2930540.08190277,3318933.42734813,1057357.64313872,1201747.00974721,3314985.22985539,2684359.48378884,627062.662967234,1065416.29175893,887332.659050674,1241823.57751935,2118454.75301368,3686907.98168296,1056591.44966203,903625.118296876,772188.7987223,1420989.9759296,1684589.41245346,2251368.07129025,2413022.80075854,642584.388133984,1461233.38589162,2585952.06389704,1029530.37271442,1685942.39935107,3576972.53625799,1581448.66018946]
["3mPFOS",0.927377230769231,null,null,337.593,498.929478014898,"MS2",1206475.32068641,1660631.54582812,1141708.96796758,1859465.29975582,1097291.03205954,1011571.7017361,7458678.39816682,2057114.69548402,14042487.1181152,11799895.6771782,9551022.38623322,2318001.00177534,2396143.96365112,2950827.85185771,5501323.77161265,9655631.76034427,6813694.28611078,13557941.3357207,3551909.56206054,2742921.39726082,25048793.2211894,7480265.89282645,7378409.89906634,1123152.86284151,3625834.84729686,1246613.60533997,2283422.59179241,1639404.74229565,2464311.15116044,6397613.52824405,1319512.69231168,2293544.61932041,8280771.32299892,2232168.08949144,11294004.0335373,1778393.69741997,1314094.95528445,1606629.73591257,1363763.38752225,2663658.50804344,8708430.93426536,2436678.53835087,4194659.59823414,2113516.83196932,4643116.99716477,3750020.53181325,2969373.54971078]
["15(R)-Iloprost",0.927185769230769,null,null,465.498,359.219937274462,"MS2",58031.0439067651,73154.8907240592,208587.546184344,677655.513050652,73047.9971174598,146483.392104451,14759074.9049424,827810.354638671,14830658.881793,3987057.105,7185536.91514284,9052676.03314287,4036428.60187037,12722895.1440391,17879277.1157832,10752754.8381155,15101601.5934643,5314993.93285712,3719878.48293748,2615952.83676282,10023911.5653015,10082111.3803426,3171107.95067357,173939.466013394,658185.780455354,185981.446566964,202417.91303054,52419.1324943621,200938.499208882,29438.7752599418,830743.191041311,498661.953249249,623493.932351307,356267.947349833,700144.412745239,651165.441158641,30572.9857221693,172512.114589285,340581.410503906,468674.367961303,409880.558626955,405361.391684729,574148.4035625,212036.02842832,389085.333870536,316372.832907121,292515.749728125]
["3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol",0.927157307692308,null,null,464.719,237.22011560449,"MS2",8745579.5706808,7712524.07226563,12942579.772975,9810153.82570114,16007613.409266,11255401.8948161,9186827.71632703,17263491.3988032,9620709.00833832,11531863.204382,12260322.5858055,10918392.9645301,9289618.09736798,10083765.8341208,11170395.2991664,11219946.7923653,16630586.9130395,12607971.5757495,13526360.9968798,8064014.20719407,8326989.27637502,12469814.6241171,13751992.1975015,10471140.1553297,10525854.1444724,7693768.76910822,14829558.1629264,11783548.1226225,17476731.1573335,10910220.2164972,10116932.4867692,8146200.24757122,11062905.1796219,8027312.81776237,10361094.7380743,8703050.8242209,17042701.6678292,17204474.5025572,17236302.1417656,8128966.83798125,11305494.5538885,18036716.7652794,9489042.08759291,13906737.6089615,10481681.2753375,8076606.74898843,8820115.81597533]
["PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))",0.927085769230769,null,null,468.0595,804.548299432546,"MS2",25596834.2607218,1063113.55600003,6084541.77892992,21675740.911,10224860.0531084,8559992.04164843,22363776.7255259,3822589.83599997,17864216.6484856,16943605.7288444,1238989.61406243,24936708.999959,5287600.85657141,14846666.3385638,12771241.29725,8090989.57084451,16805109.1511866,16329188.421,13566501.8299773,7143630.52005254,14599944.2069839,10211236.7577298,12322764.5080592,12300599.4138844,13189507.6275763,10272553.2384325,8362437.30737498,10126497.971475,8124339.60475099,9828937.01996106,6625002.35005653,6077770.96724996,11059912.9587269,8011751.44551157,21189467.3388536,6331764.0746995,9738058.80658751,8598506.35656312,6886586.53294845,21079734.0262045,8066111.04140957,7407170.59082142,9690228.50844143,11609233.2049229,15714975.6719487,18431258.7721704,11237513.5519171]
["4-Cholesten-7alpha,12alpha-diol-3-one",0.926892672628648,"Dicloxacillin","15.75679015048",441.844,469.326534234387,"metDNA",508332.559690674,397419.060364723,561553.068198695,240834.300407423,457115.477397652,548968.902647042,813063.846470878,1342811.89470536,1017394.81698215,568502.324638391,977969.702527346,811340.798327355,482074.459459385,487930.816312499,586706.70542906,413860.271146202,1051152.30220227,566872.33614737,334620.482210083,1324304.62304219,1614608.95984027,934929.581284841,1094161.11512422,567535.819298148,509212.998244149,441514.933367423,225476.952219512,252374.836303517,737179.137227654,980674.546505606,221559.003154182,516679.824404298,323581.602616071,104515.429722265,1125554.27443774,681582.085016254,461753.413069787,399472.200961733,599693.131940668,545309.619635389,2917641.94062237,493629.395426712,438115.145302735,381339.09867857,667858.671018004,518092.158397109,278283.51691613]
["Epiandrosterone",0.926663461538461,null,null,465.275,289.216822537044,"MS2",692101.660746626,731539.26441809,928728.392544638,3424066.74570537,877887.858775705,946199.014574848,26851075.3067143,2496013.35384374,28219335.9769285,26557182.0679596,27222265.0993415,12180797.2736033,17679324.6817363,20796621.8110522,25681536.5875714,12641817.0185357,28555848.7862144,19194896.7266044,2955626.74155719,3263845.69124163,9509366.2689507,7299930.67955359,4102943.96196895,956579.426156252,2258827.46243641,2188118.94947217,1080820.6954025,232328.325298925,1068306.76787947,1134422.8950733,1944836.51665179,2724788.04784585,3689910.18421517,1027709.98868517,1891396.2476464,1410222.1004264,143191.983542871,987499.665623519,1670063.733,1260376.25675186,1996483.12935268,1476765.50188506,2294751.23300892,1501024.58065673,1951115.35810753,1324150.80709419,1196714.36814849]
["gamma-Terpinene",0.926481692307692,null,null,481.5475,137.131948395006,"MS2",5632769.50470065,5537203.90824901,7107594.9165,7600167.84649505,4944231.83475001,4429189.42834883,6581555.6287536,8936289.59085181,8872541.09483912,7750199.08327034,7962608.32342403,7032720.99737215,6689663.76992849,7449662.97200119,6999493.16247141,7692572.86316558,3913815.60004031,7115481.26416791,7394405.2353155,7460489.66954033,6016237.06281673,7718288.23921183,7949077.41117905,6373761.69925563,4125863.5749967,7038104.55910715,4574635.55558549,7354925.81864209,9882407.10335125,3301027.71660344,6992569.04078571,6396177.39414692,6964418.5443571,7316844.43779112,7203496.03293585,7069633.55509848,11385621.7998889,8116902.95956718,9120954.27213204,6308880.49986894,7589395.15508721,4815472.48189013,5923303.94552832,12996229.8536042,9816585.70512824,2958025.99738416,7805252.43451714]
["3-methyl-2-oxovaleric acid",0.925768,null,null,150.1155,129.055630773516,"MS2",5042620.39093051,5030702.42705424,5354791.53588241,5793619.44030996,5405389.37463014,6133718.92343431,23143697.1422083,8229612.61881411,16670747.0363726,115092727.653526,24348221.2954803,82556315.6680898,32438309.2380048,46956241.5296683,34087161.5841974,20915255.8116731,133604754.974096,25638396.6393894,10921718.5641106,83209600.3861538,73789354.4548238,41033146.8431089,67881292.4879967,5823237.13105102,5601681.72574668,7108276.2743722,6445830.69207839,4804987.80610168,5197145.92045212,5923447.09155276,5724520.01132087,11128322.5179688,5855594.04513859,5534893.81204001,7736380.25345053,5919346.48248318,5266600.29524778,5877729.12564754,5852637.82014435,5709096.16520771,6729552.08221495,10668710.6591452,5975814.5994736,5831042.82073131,10964231.0111359,6409914.44997934,10951154.5591967]
["PC(20:4(8Z,11Z,14Z,17Z)/16:1(9Z))",0.925652692307692,null,null,362.691,780.549127527499,"MS2",6296910.47788761,11352779.9511525,12074806.5576651,10377717.0222593,9184744.36722701,8231490.06389523,12208110.1947873,5204340.11631679,1967680.26049309,11565255.6888178,23095619.641832,15948760.2990234,10924075.0661949,17915394.1160252,22563176.4901186,33918597.3146234,1216792.14492592,706410.149159222,1312152.58247398,6122025.06753411,5471680.28122358,4886810.40968751,7390946.97585938,4341167.47298091,8879146.42898107,14669037.0448119,9815833.3520197,5765758.58274023,6277765.4885338,10493184.0567142,7035166.97916496,8258202.22399244,5023025.15319472,4130964.6398213,5410247.42960229,4614695.86661876,3253610.13977422,5249867.73940948,7244928.33502405,13450225.3890525,1743920.59160269,6365018.46572849,3208002.48011583,9941599.99065081,11243357.7049944,6404586.24830857,7132415.28325068]
["Glu Leu Val",0.923855230769231,null,null,188.794,360.210949320529,"MS2",6305.43028403293,114427.67204558,868326.264122983,1932454.37656694,757508.542797524,288053.014525731,7037914.11970314,3803991.72224131,2667121.78083224,4542398.75625,8689995.01134377,7892264.91575735,14298310.1912969,10488414.4699902,8799806.17121877,1363883.32255682,7011587.06637041,7564155.44874526,5894193.50963567,11408217.2286875,10438430.9206006,6726977.37486718,12277431.3642695,0,0,21463.2603299387,9015.44701896944,5145.42248096974,6250.88271467916,25845.7259355187,0,12554.3690791041,14171.7809302643,0,80536.1126868427,0,12896.5549117083,12030.6206998133,0,12954.5596150187,87380.4725413118,44728.644962961,11356.1960260547,6675.91650278241,18324.8364556879,6668.92635866627,0]
["L-PIPECOLIC ACID",0.922930153846154,null,null,45.79525,128.071592740295,"MS2",520559.347122911,685195.322851044,1061310.70563026,1182576.0513494,1043889.65412427,410867.537684619,576419.279299955,6009218.01628498,1957967.99072413,631362.370672547,1701521.26397412,1163489.2353849,4064512.3915822,2552210.60704246,1068531.16826451,1157380.16311793,2193026.16125,1510357.64143063,1424406.13998683,926505.369485099,2475401.4000159,801017.656212729,985512.86827778,22740632.7327738,21197540.0764816,19333283.0498831,13074660.3383266,3696689.91409091,6838468.89779491,18036231.0672906,8209054.31679478,15052255.3222837,16508302.3112715,9171374.41538013,14281064.7951377,7566148.56122622,8567422.98426094,13176523.1155527,16486452.0795961,13305381.1712617,4352291.55345899,14749560.4522131,7376752.50284375,4918268.87699219,15882687.9843702,10035761.7498626,13289854.9764323]
["D-Fructose",0.922642076923077,null,null,32.5927,179.055850850883,"MS2",2334472.6197751,4657233.11397341,19516874.1507292,11500559.0766131,7059363.00832307,6164056.18257593,14265408.1595468,11407160.0346695,13274514.5548219,16544514.9184503,23874740.4957131,22950002.5852962,33528529.3582186,23507861.5107381,27610452.4994253,15752932.2425918,29362375.671845,19740845.9972256,38255882.242425,27083560.7944591,38300500.8186077,21908929.2993882,31772626.517432,27614376.7656457,45771868.4099801,16752690.3763865,13818330.1003288,13817907.0503036,33076000.6588391,14735207.5863031,15479779.6835656,26542134.7834068,6962750.16040726,29107323.0982088,68771204.8895438,33747594.1097502,17501038.615125,15070311.1291902,22906267.8061483,29482038.8827059,23013881.8843158,54158430.1024334,48197841.3224,19732819.1164078,28420541.7167631,15908850.7876427,9293728.03387438]
["4-Hexen-3-one",0.922457076923077,null,null,651.2805,99.0799009798711,"MS2",8807785.05870935,14006702.8549264,10491278.6530505,3539840.34145828,13684777.2839822,9331305.91001768,8944999.64928553,11739929.2457434,10313833.9847416,11078835.7963587,11565316.2158646,8617034.03278125,13113119.9636911,5272061.51761052,10708433.7880882,13097612.8084031,6807800.12984485,8833956.96010005,6137746.22125456,10427673.6661858,10249183.0777495,10417638.9348436,11323289.253744,7413365.04754578,8201427.39283735,9365358.88130885,5230306.45555484,11633392.7333021,11989676.4334155,9800718.10867789,8646800.01475494,10917448.3335289,11209320.8393012,4818960.99169607,12836403.8737407,8834135.61174003,11135364.0173372,10686004.6855698,7204145.06626506,9777059.26913348,6249292.13716889,10099970.244506,7358554.45451085,10513216.3332467,2015035.59139948,13387486.595061,10818380.5444665]
["Thr Phe",0.922456461538462,null,null,148.0925,267.132614192423,"MS2",701110.790238036,106152.195567579,3066507.27024107,2521732.56489049,775000.108467687,695988.597498715,4091962.48728203,1331842.99251707,3028877.76973469,3898134.46238406,7501131.67041456,4008603.9058117,199764.81097526,4634940.7890661,4527881.35502017,948249.494321987,4262606.72063378,1436116.88423887,5635237.37953767,6500553.98564961,2373397.45924671,5684756.44491314,4343390.75408854,849402.39593316,152530.748558036,119159.811640625,595902.629361238,89836.5142184496,104413.671845082,3425533.74478284,424000.196068892,511607.004785154,419697.836106777,752247.337451986,2268664.59064961,215464.90219151,636542.346366963,129640.649692969,657735.279897501,684960.107727317,623625.541638225,576638.340975912,1051614.07963393,540340.684335709,399592.56136241,147173.558898871,745649.961009113]
["Monoiodotyrosine( MIT)",0.921949153846154,null,null,174.8145,307.976249465836,"MS2",11981.3565982154,47947.2181219376,162204.842776367,1064385.84438969,87069.4003402346,120023.011851042,741059.393930338,63492.8393666882,223279.942895508,734805.615420809,11049961.939388,2228737.31735276,2346997.92646629,6706520.00909686,22546807.2497651,490199.650875,851790.928275001,27478988.3485558,5281482.77333281,12422765.2539203,2400398.55323437,7878653.2414673,16565567.8940779,4050.31083345069,0,57508.5377648807,6182.41601934781,0,0,78320.3359744274,0,0,5789.78453584015,0,50269.0617167751,6663.89030061204,0,0,22344.0867666721,16295.6062426074,5584.08118081322,21272.5007040095,5033.74592402152,5896.50727111101,0,5402.77641723706,5311.96159269603]
["Cytidine diphosphate choline (CDPcholine)",0.921130846153846,null,null,34.59475,489.111770865732,"MS2",0,0,0,0,0,0,38316.7452418059,0,23826.5608986095,126985.68702963,0,46406.1301237643,0,0,15052.5688179731,49409.69362377,78895.4986920319,0,0,59309.9556967877,0,0,0,0,124080.287302785,239203.342769212,428892.524088356,87742.2155615356,355448.075295679,1939842.53435156,2072421.06042422,1671925.51429479,4163635.01841264,1345479.9101828,2429308.61404875,234950.69717086,26854.7383932918,946248.900265624,607002.160062075,686155.683398247,1961671.72385531,253851.873844296,327065.658358216,597384.416333006,711974.546179175,1468568.08133735,695829.365651025]
["Tridecanamide",0.920735923076923,null,null,425.1295,214.215598033862,"MS2",4098995.87238298,4321802.90104877,1430847.63795536,1213045.12434005,1763397.98515591,4712721.1935627,3848205.50380266,1626644.5814553,1120531.26186161,1250144.87218831,1031473.1406531,4497912.40314578,4046456.87557808,4048281.84572487,1043825.09243304,4605470.30648709,5852529.77857825,5069155.74799129,5360369.07551785,4031706.28159552,3754641.39564079,1468608.72240943,5468281.93811262,4555090.95902258,4470276.05010331,1107408.49010851,1595830.0118472,4967641.55871181,1805652.93081444,934750.065318903,1225392.3991956,820687.566558377,4772463.31786053,1087152.70166518,964881.646239582,3948547.33388597,1834015.24904464,1760326.79487541,6655135.13138755,3615142.90696093,4830895.27729691,1868077.11222321,1280126.60243315,1444975.04653389,1270960.64304372,1001626.67631696,4194920.8824382]
["Pentadecanal",0.920013387,null,null,485.0955,269.265717698585,"metDNA",9424258.06353431,9124982.19310021,13695840.6879921,9666291.78565064,14928703.8466807,11510700.6404118,8963650.1418338,14512525.3221309,9093950.68906093,10965679.8521767,11098824.2474574,10617287.1701227,9693565.63181373,9376024.95903648,9511173.26284858,11087296.6769497,13130626.4872246,11226305.109592,12640953.2098705,8284635.59828418,8104416.36060176,10750920.6968337,13110667.8990213,10635597.506852,10797691.4522733,10008501.2007647,15035876.9973804,10297144.0424578,14781913.7935173,11225582.9480528,9768457.09566076,8784892.47492114,10876957.9251001,8778764.04708895,10315913.1633699,8564187.62389312,15370105.8384121,15708865.5905312,16511645.0203847,8993699.52549816,11585395.2076155,15380253.3929262,10483194.8801056,13531707.9267434,10237913.5091979,8339381.87104117,9375639.05739702]
["PC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)",0.919780461538462,null,null,398.074,542.319907341741,"MS2",1701464.29830503,2461719.08190866,1876996.88491681,3305916.18502451,2023845.23343076,3495257.01407085,21747300.3242817,4405835.33204839,47443552.2173805,15116582.1644488,9574547.07204288,1152287.8011572,4186439.53856609,7940397.713735,16284263.3261978,8825500.89950111,4175982.90159098,46862317.9656106,2939327.38441145,1099248.40504422,15118245.2397852,6667417.15006673,6058256.46093781,559114.098624659,2115667.21960521,1012119.12489725,2502724.83339017,93288.5796641038,1410515.58823162,952845.61559842,1246529.56411976,2532111.55754379,43030348.5850875,2030566.74272595,9995621.10048734,2428091.91729451,40738.7044907646,626725.918973748,831410.19377651,1375207.94169147,2573899.38175028,2277353.09196406,3223561.75989315,1493193.97782251,2914120.85232592,1424312.44696593,1950575.68219495]
["L-Homocysteine",0.919730445,null,null,194.1955,201.991776582464,"metDNA",4916246.23285714,5997396.56501136,5622575.54270833,5378952.49714896,5904846.73615056,8083912.1313457,4958546.91905212,5636985.50632496,4849519.60496145,5166402.88444174,4697788.39009648,4913386.11245474,3353685.07204545,3591898.91779948,4641568.87860231,5527575.08133263,4408712.05940893,3048197.09370625,6319834.50194771,4803142.85609327,3540194.66579119,4989747.27716538,4229504.15181769,4740278.20600431,5768241.06698727,4794139.87184806,6652585.14414263,6018376.89378124,8182138.03193138,5745063.6295225,6388801.58740947,9049505.5306434,6438628.13496527,5377584.5338625,4886543.24083483,6553168.11196838,2882636.77765,6837781.73024599,1218736.12028124,6098958.16085134,5611904.61710519,4218455.35259783,4733972.90668981,5210589.60593211,8299983.90199137,9168999.38810577,4571741.76309]
["7-Ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene",0.918206076923077,null,null,464.949,219.209710791372,"MS2",3392009.05301615,3116212.27676772,4528591.14571275,3493501.77880382,5639880.96219913,4710801.01258928,3064200.05281478,6706334.76196052,3349967.573023,4256698.11334501,4206394.92700455,4032002.58215854,4050005.27097412,3765414.16308105,3670073.98659527,4110284.19680358,6086202.17131979,5027046.42719834,4838848.29873918,3191077.25739031,2937622.8597845,4648880.68500578,4770826.63412363,3917573.34831658,3644110.1135625,3272813.17008204,5184389.19923977,3908910.52384394,6198978.89885158,4139255.40735939,3488206.13579175,2852466.95748954,4091706.073316,2782696.17159794,3735072.6706642,3101961.08341603,6059359.95722746,6327785.14138353,6014716.97731576,2770222.97355549,3795069.54021543,6278703.62019454,3552895.12032831,4856548.84419476,3860175.94968111,3105879.47369026,3107271.73343023]
["PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))",0.917760230769231,null,null,470.718,800.516485068775,"MS2",9928419.84494862,3571257.02912057,3513945.24042845,4685351.94885982,4609615.38149879,4995419.16894233,7250616.04865595,10425405.6508496,9393908.0578419,1131644.87213749,10581364.4402483,7937930.69447185,12531857.9354478,3106035.158583,6609230.66282142,3771875.13866406,6116858.8521351,3672566.35467218,4369572.96168194,8034415.02680469,17378061.7575136,2625544.39743935,3536832.76007266,4887726.53041257,5731082.79713761,1242726.84691072,15639176.7914236,5298512.3925596,3975448.48244318,6265261.04160072,5702276.0869375,4237727.67595651,8071711.28753445,2703538.04893927,6162445.05697899,4631460.23288749,3325472.97942418,1807268.61177524,6006881.20918439,215104.461770839,6639341.21042437,2823041.50615096,7035078.14570187,7707865.19911549,5277493.35121476,6911838.19492057,5792987.71435939]
["2-Benzothiazolesulfonic acid",0.917364307692307,null,null,193.356,213.963519594957,"MS2",281739.535009874,833619.060006805,946173.843825983,956166.61423417,2274155.81638798,1109049.63793769,2895551.72103881,4425650.24976418,13527916.9042734,4278492.01953629,3793001.79932964,2044350.57585852,25282394.450677,2425231.88004536,5384191.99733799,1655672.25317028,2237262.58925365,47457705.7792596,10627492.9045607,10834592.7879684,41634709.8889773,19633892.9508367,54885555.6607168,1113299.76945332,5564497.56517851,737405.108904251,694606.984355485,1209100.59776719,2550006.74177672,14873063.5782571,569091.300026786,4017378.88122276,5154647.93431091,1884567.31466377,3505760.54180579,1005872.2420722,659795.402604337,2353434.83558859,562348.516180872,3334562.59366148,2471016.51620055,2360450.68955727,2563359.88004531,728142.183749812,4217698.90191904,2666695.98962576,7510670.27389016]
["1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol",0.917277173,"Stypandrol","20.7625060561267",137.197,431.157807417575,"metDNA",0,0,0,11611.9210151831,0,0,60775.8194952309,107154.25485903,412622.318800256,172840.63753125,1007887.4319116,85052.5017723165,148605.6488735,230340.182184765,156547.821857767,45893.9249671942,369204.767202554,61473.8470399305,49743.4130692005,63745.2727436423,0,23107.3812375863,9463.5133053837,0,0,0,12865.1299589908,0,531807.392337963,0,0,52957.7104755423,0,445186.790463518,1917392.64691945,353832.696038087,0,45208.1808929482,0,849751.397735608,40644.1881443063,14747.7413001955,1142557.83148346,217032.826379688,3754781.99627567,13328.0981943369,0]
["PC(14:0/0:0)",0.916999538461538,null,null,377.6755,468.305938069622,"MS2",52029.1252472699,159582.376567677,522979.333619532,1499819.50591736,132109.052951264,375248.482198212,21781912.7729247,2684177.88883566,17170028.4533954,9859878.95448214,8095307.77366186,9210220.88606053,9924434.82466951,7731201.44316407,19072150.6596995,9086289.5244942,24328279.7627625,22740280.0157985,2565254.79979417,4160803.46435043,17215094.0389629,4985669.10629628,5335233.61138823,2532119.55920914,14067036.4162934,6057305.62991692,2918914.36580034,1366709.07879668,3211152.61379741,1522550.57821898,6622997.6723247,9092183.80426256,12026182.2023572,6285180.78810059,9503334.4620965,2354771.60097202,64650.8803927195,1415319.418175,1511050.43852847,2710050.61128372,2830504.46654348,5061588.33199176,5361088.74355742,3330316.41635203,5031687.89631001,2389058.33808093,2375692.3284561]
["Cholic acid",0.916827425,null,null,412.584,461.286476576596,"metDNA",3911.32891150059,22231.9655482731,313968.866713201,292380.612311801,58014.7209654797,15446.7230917408,1689514.37106789,1796217.32032661,720938.506847427,1369464.4667866,1497845.97944197,430830.142928802,701748.6319742,698688.004510906,915031.711355035,571310.543794919,1316088.51614729,1184371.40299129,203629.126166638,1083068.31429268,524482.78075229,87102.5289849911,234380.153731771,542671.70685557,619032.337887343,82901.8041441763,781316.590346942,1280158.25458694,1019463.10053333,1066335.33690243,2117815.07980464,1459427.40132744,234728.564745536,1122159.80590796,2104549.8336648,697278.714643386,74410.3681804846,240308.691370799,214027.336763149,1067361.87713278,2719169.50294133,1550922.93111358,1194251.16827488,1447332.33182043,2021782.52059786,1210115.60494228,1227503.5468372]
["LysoPC(16:1(9Z))",0.915599615384615,null,null,356.059,494.323821789909,"MS2",0,0,60410.3002066612,1118432.30215877,15608.0483882324,32269.4536828995,783160.790263307,1409018.97040972,1801077.22414011,834317.524464844,593417.469836421,312890.547425097,618700.92147742,530965.599005683,816235.324306457,743656.959068291,328237.591500002,644426.812369228,114264.507196675,7847.77800545485,173714.75741006,241976.943718872,82081.6109929655,674751.767625,1015405.53057583,638805.575781252,637665.636744958,874129.892629924,462159.076979003,144151.278678787,1644229.86625539,1285869.26306836,213171.395460663,257597.062395968,399795.086530454,350802.708108022,0,598664.59505357,337124.958000083,838443.507629464,188393.916392062,719572.910664998,1212879.12936328,488445.697479597,131677.877329686,534889.952942188,1046371.97822707]
["Histidinyl-Isoleucine",0.915531769230769,null,null,35.7677,269.148121708204,"MS2",184633.067921712,425105.360818468,766924.009869247,799872.195093537,1402421.26948103,660265.115871113,4204913.14493815,3911114.80662678,1667433.19085574,1287448.15530724,3040254.2590199,1463112.4483457,920221.694166504,1636511.43407143,889067.06617829,681154.347316862,1933825.03101816,799320.6351405,4920145.80814771,423717.455852865,3449182.71666431,7139920.32684386,792568.979155312,18276411.5380214,16936236.3849372,5502978.99897224,2860771.81688093,1545311.02379631,10009285.5290033,6544233.28874373,3251254.41272041,3024139.26599248,4749414.13937356,5297591.3780275,8094798.17397526,2850161.15635619,1561977.68051492,3625498.23051365,3555299.97642857,27034651.3135843,10938231.3458621,31945109.2868432,18861531.9430776,1685443.41685104,2277229.52458906,2254328.19688374,2779300.70228571]
["3alpha-Hydroxy-12-oxo-5beta-chol-6-en-24-oic Acid",0.915369307692308,null,null,495.2045,389.264084453983,"MS2",0,0,8017.53301551512,0,0,0,725625.839579454,2006108.33128589,151653.42714922,530085.235283087,1633482.11377102,611430.710544641,1453615.54791703,934125.140734204,530839.416755967,309970.279124998,2132218.26257143,123896.045290178,0,187551.593010346,879573.70699849,675930.421446427,239895.703133339,0,549749.5766728,80615.6796064431,1128470.92807167,0,227651.415548864,10170.8274106639,26070.4426569343,315654.215378908,9591496.91996013,54867.7152551867,1324232.07842178,120614.132928576,0,42614.2355886215,0,277134.280948097,138065.049446804,73597.4485590004,1005472.84352311,379660.302790527,138459.107844148,104949.475257397,72188.2797817105]
["(4-Methylphenyl)acetaldehyde",0.915352153846154,null,null,376.666,135.079814670543,"MS2",13802633.8253318,16269518.5077704,15929983.8519687,18437670.1601422,13900552.0364674,12899767.431807,17789925.3978657,13288617.1959797,18436492.3368719,15063441.7985597,12717083.3839864,14330832.8630374,18300196.9864036,15019733.8973217,13935393.5482054,16141659.473909,13643272.6019389,15871761.3797404,13518952.556783,13253599.9376131,20811008.7072426,14396846.8266707,12865602.0704027,12203320.8467135,15276156.4188504,10583923.911248,14006620.4422439,13905673.8394592,11897849.6716406,11833908.5176705,14997194.267425,11547379.9229574,11780832.2558904,12519529.2602948,14759457.6059463,13045487.0092754,13932710.2019275,12332538.5160072,12744743.0751564,9769470.63879258,13607870.6151031,13606496.1049238,6699274.61644317,11153437.4294561,8544215.56051543,11584680.2240664,12982635.0450922]
["(ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate)",0.915227230769231,null,null,417.234,449.284891246705,"MS2",68229.925132495,73265.073494643,79483.7938640073,93235.5488483501,87428.6363368203,23703.7786233379,10241603.2511712,68852.9878431896,3191686.38070005,2266609.09705845,3337346.41968435,7356064.65541071,7322011.29591269,5669506.10326541,14220068.1591873,4613862.99823953,9246201.3666605,1841786.95082754,2728936.39163936,2478291.1613475,7318199.67271077,6514307.51447081,2364067.36062202,14935.7454795413,21107.0624040646,66853.9062417678,67581.5706711659,69904.6214579636,99864.2930768728,68918.8106890512,76328.3757845186,74594.5189266973,72737.3116393359,66577.1964144032,84090.4605956348,127034.625553212,77632.1448089582,62352.0590248547,7283.11580325972,37685.9506612904,17245.935473739,74839.4240380593,152790.294810754,77215.5868967164,84027.9774385578,91972.4820031737,155133.051799631]
["Ala Lys Ala",0.915211615384615,null,null,143.618,289.185566942086,"MS2",738763.101385122,590954.039448707,647059.72333242,353960.445632711,437362.618609482,16489.7758211124,1493576.43577083,1658137.83364415,1459005.63456425,1510395.76069629,457423.0665221,1524415.35275135,2038329.58369609,1788719.85750478,1147679.65832734,1487818.53320615,1419087.40470914,1554718.60194371,1573749.79131945,1223203.74601279,1181449.02252343,1508656.53347172,2278000.85091969,3363447.11893506,2773551.73775124,2039477.84221435,788061.322285712,930392.164928569,824533.596369408,2602503.19633702,1539204.01052837,3839538.63780629,2397379.11694148,651773.957542971,2973857.15401435,2421584.8584979,3848718.38434606,2165165.34348214,1497637.89010117,1325855.07507182,1688264.58755664,1241768.92832174,2033944.39376672,1515474.52224088,2227428.82205819,1718758.55302234,2187407.47619433]
["PG(16:0/18:1(9Z))[U]",0.914903,null,null,492.433,747.514831458593,"MS2",1448016.05089337,4104113.12961476,4932276.79564145,3382479.47167516,1733215.77489388,4080926.38477741,2264771.95454702,2593218.51690744,2986125.96165397,3359064.26331356,3746417.90266105,3851731.72194066,5687584.32621094,4020362.415831,5129069.90997359,3687585.79360245,1371957.56048007,1472272.99244073,1546863.39586936,2839648.66212445,3021850.89494332,2077608.29492025,5905834.2960366,2237443.21264804,3728402.00186251,5181036.10433035,3328870.11050571,4358206.64490055,1389909.1273809,3284063.37940671,2306577.6121153,3417855.84374936,2602215.56137979,1960883.76959184,7619709.54752557,3706871.69965137,1827260.8768682,3511683.36670279,2277245.40051535,1174329.51228346,2476087.48824752,2317025.29866805,3494950.55276513,2524429.91312316,3148306.72118649,3517453.62580864,1451688.46847265]
["O-Carbamoyl-L-serine",0.914278159999999,null,null,187.0435,202.042350371409,"metDNA",1203427.32329096,978622.106241397,1145830.05632343,1176073.66572799,1125169.80045237,1130668.76975251,77242.3164184573,1109310.96444144,152479.731499512,123327.834552287,197325.111910313,1117638.48451151,614435.949634905,1180288.71397201,1311877.69900021,1094701.59382765,1377616.71988727,27111615.2763552,228200.565231712,1541824.71320885,13896684.816,272049.405941601,443315.048357937,1284757.50714254,126682.75533817,1252589.56534036,1265264.67332726,1215763.90127611,1248000.15779052,76744.1747397228,1110883.82196941,1112839.66929348,202888.756126675,88168.0351680906,1070742.95688332,998124.746637571,1134098.31566681,1233214.03605139,1241505.71870865,1164424.23329473,1233861.16765431,1024592.02975945,1131082.69878912,1089956.5458367,1190712.51002577,1100227.74329847,982873.775863731]
["Styrene oxide",0.913871066665979,"Phenylacetaldehyde","-4.11883300922322",224.978,121.064282103206,"metDNA",3843120.2327012,5020406.64392643,4048429.99488157,5172425.37078748,2982604.19467762,3186658.58791796,6256712.5251578,4699324.34997267,4293499.83988275,834697.715293743,2562975.87096249,3480208.40698963,3075439.05811576,4630728.87448431,4149843.14814718,3571874.268525,2737985.897578,2001315.41408036,2982212.7720409,3325349.03673264,2726075.40861684,4489822.24128774,4039145.41427078,2957622.02564836,3066458.3568322,3767921.6962062,4223446.04046869,4047375.13228125,7097367.02310751,4200641.29787661,5061847.62792865,3580093.63284374,5313475.18816801,5927295.28114286,5047692.44026406,7449508.88395071,4938199.34499327,4479145.90809345,2924081.60624278,3814426.97840435,2941478.19675255,5310770.7059194,4706184.65508518,10159215.3969889,5124199.78226062,5090380.36238324,4840113.41907762]
["(4E,8E,9Me-d19:2)sphingosine",0.913451230769231,null,null,355.903,312.287988042443,"MS2",992475.283660419,1620941.59277607,1797805.71913111,3453344.38697077,2336507.65059757,373988.023873132,56544237.4194587,495161.985460671,68742082.0285029,55961817.8216127,17929833.6225171,23895105.7746146,41082131.0022276,23292378.7140245,32065000.9536303,42600578.2520663,48708625.1814099,32848160.2054951,11042612.2352061,3723385.68989062,23018974.8174388,18500227.8974047,18244958.3114106,2659439.20930625,9967444.23326787,4054014.4620104,4355265.91369958,3258597.89194456,4263535.5811748,5221938.45860159,10172343.3089341,4468487.20091303,2366738.42263393,5142668.05598696,38306197.571412,6479726.7267977,814259.006014323,2259519.8196814,4757514.68946512,4699638.91087199,5936747.36162658,5639688.40525341,13569872.7948874,9999292.26046093,11961853.7561782,3712028.4663875,4541929.87227783]
["Gly Ile Phe",0.912977538461538,null,null,208.1515,336.189967368615,"MS2",0,0,360817.956786875,126618.884901043,28259.6449407478,18626.2535018456,2774069.7680585,685481.460164485,3547659.64905844,1756042.18169563,3260521.39910497,2071310.0082484,15462410.2031573,8236745.00420198,5161182.28905995,1558381.4645461,3345295.85483137,24762243.5717356,4061223.42820265,5055156.46656205,13476456.5694619,1088055.66736719,6876646.69458111,0,5015.01851574487,0,0,0,0,6132.10087826848,0,4351.6829119089,5869.32556626409,5160.38499056441,15155.1334863561,12631.4636985854,0,0,10229.6273294382,0,23483.3479986454,0,0,17001.3731921828,0,0,0]
["2-Oxoglutarate",0.912518409360913,null,null,308.501,127.001141778474,"metDNA",46185113.1998897,22349701.4630312,28702479.5460001,28657698.635325,16580704.2249887,21468455.8911291,20570576.7139386,3446964.80812516,66175021.4881449,3148895.90806238,21376072.2441788,26070052.6229212,2408860.26616673,22335789.5801188,21051494.9077164,22121829.0781136,21862392.3335693,61187450.9310787,22510334.459549,22107638.0408505,30030078.4898633,44370361.7090876,1716754.6787499,18745796.1038461,41527702.2208333,16040389.9939239,14237151.0509251,29737768.2531428,10561661.8498999,21217088.9895287,60862287.2832644,16211157.8975454,19792107.9051429,2539267.27066673,8640435.20183334,24229876.6104166,16838541.2419792,13818159.022425,17355566.9391999,23964298.6217143,22348977.4674818,13011081.1654166,20475277.2565714,2754863.71766674,22903928.7085469,27429991.5202564,21267826.6470167]
["PG(16:0/0:0)[U]",0.911915538461538,null,null,359.854,483.272375970748,"MS2",5931833.46792567,7887644.58339731,3126521.86729525,5648153.02968683,6218394.15965625,16894026.3124286,2156926.28143738,653407.381799262,1811721.59647432,2286959.24719629,1936771.15770703,1486743.78518294,5344603.45923215,3009190.35724219,3835595.12765699,2194455.50100123,3648960.06159962,1615094.74193622,361072.178039497,348502.8007125,2158810.8700619,541294.985796223,1022487.90340194,387079.65379713,706756.84998101,484363.776800916,735210.050544456,192991.272790179,209759.594831571,331281.858220169,653216.073304084,399591.886453752,192150.954242404,2630792.30121206,290149.329215495,202094.410215902,3953.93247776985,163123.472754283,293257.125375722,212952.921187499,275104.900747028,157210.154594384,298711.106380859,277864.282349737,308091.513971057,66168.0796013676,216931.111234323]
["N,N-Dimethyldodecylamine N-oxide",0.911745307692308,null,null,324.404,230.246783452197,"MS2",61502828.2730174,116892626.706404,63298293.4790526,112816316.561471,90964840.5318345,74000276.9386485,46914932.3965119,114510527.757062,56870046.1118261,50180216.3369128,72948228.1877036,48288764.7740888,52023437.3687957,56743253.2727306,37746521.9683266,37120008.1663471,54579380.2588153,33599184.3191383,48380996.4071948,68094145.2012964,41862990.6440081,56103985.2844399,57067037.7008672,82332687.8263141,75758544.0440656,70671450.0540737,93657633.9858886,77247179.717384,68400837.2407107,43558714.0604824,102477294.732334,64436926.9983505,67552448.8672495,64747757.1269697,83564410.0827099,73592021.9207772,54516176.682545,64525971.4302754,95007766.4174492,65545448.7200002,61246589.6773666,46178211.9183487,160378097.637248,50428491.4900507,89616285.0900496,82168229.2823439,83700052.6282673]
["Lys Tyr Val Lys",0.911606538461538,null,null,471.8015,535.321933873891,"MS2",499864.617932861,685122.468195705,1925400.35511577,1664568.45988414,659647.915317711,783189.165836547,755768.243947264,217615.007129463,506303.623727274,1102930.164324,1381356.45350417,128922.819985449,43281.821642526,56839.2190255801,317581.016359376,83011.0446476936,295557.956607691,544181.823234381,0,398136.508316146,118639.039017708,0,166258.073440282,107718.287452698,20854.7042384386,53788.9464935462,521050.472987348,6388.43903921332,3590380.14782891,0,0,328488.262862468,51470.0633069992,1218373.26848763,9084777.23478302,543917.117522836,0,0,0,561223.765607147,11614.3535555124,127299.336514973,422433.537279907,107261.195430875,152471.616311327,186345.271288163,0]
["Oxaloglutarate",0.911304224999999,null,null,335.772,224.027340732394,"metDNA",488065.377811279,582641.495405428,527744.758634439,533086.049448852,507273.512702548,555709.306818848,518475.325847165,560393.166223873,545495.354103516,556361.402640842,563042.75494738,399141.807274319,704637.865235229,573434.694893525,483573.15604285,524218.649222167,498474.424956595,517916.147431295,614093.866640032,685202.387882752,333355.867754465,524990.830592882,428849.98947258,574613.158645813,650594.37064375,499404.559881836,555069.614705358,576402.973780779,543363.706466519,536707.120291503,522559.740221136,597872.449165176,516633.315830357,519481.525129597,545694.284326171,513170.664697265,501833.675844468,563111.254420237,572537.752049976,482102.273993465,583637.802944459,564943.702252056,505630.148205643,555064.085920593,693124.20321847,509367.245835937,570949.08728195]
["(-)-sabinene",0.911279,null,null,368.351,137.131981086688,"MS2",23633763.3835168,26957829.551566,25301593.2590627,27737459.014022,24858692.6887221,22387893.2398414,21838759.6062888,28335327.935138,15093775.1115,66353145.8546336,30857646.8531377,55619420.9506933,25723649.5588773,12264243.1658793,34574700.6046528,17890964.9169999,13428519.9415714,35110735.0532427,26860287.6336882,30246568.3863016,20752607.6610938,27760593.9723407,25871423.4378668,22077414.3394711,22463021.1874753,24034352.1893949,24186663.3863836,26337267.3975474,26809463.9966346,25877348.8446704,27260641.8050023,25727519.4562079,26619447.2169967,24261240.3165119,26454388.0938852,10847643.56975,25523549.7072296,25039519.3740515,22261679.5199115,23882992.973631,22984826.9602158,26444010.6630712,24735008.5022544,24633024.4420974,25789703.4345362,27666334.1292157,26933964.9078379]
["S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine",0.911056855999999,null,null,139.876,323.063655115955,"metDNA",0,2389.652772789,161967.563552197,110591.212238498,61010.7411294644,30468.4367251471,285413.094850261,445223.509957873,483186.975958121,270904.849573661,506956.873660714,210603.421980044,710184.745157961,477538.888101473,410399.274344944,106152.054328125,288374.043718018,530559.952656476,304104.634915808,399408.217031973,682340.241040565,541649.699327209,470171.976113582,74074.4900775599,92616.9371523437,208783.356408483,127211.602200738,16847.912073767,109863.732585405,152066.35127009,382855.385631566,145389.920602285,99407.4665825895,265694.060270089,505243.189285714,55213.9007896674,17399.7220196593,78636.3785456417,89111.1582649483,137911.155091878,104419.831474864,329113.696588227,185352.024790208,145711.291025942,221662.765369311,189133.082879464,409442.462563657]
["Cerebroside A",0.910732615384615,null,null,599.212,726.547022771294,"MS2",689171.129066322,1430156.25597853,15832063.3788149,14257730.7746604,4110783.64796841,438062.916094022,7527997.32726679,64917539.6245759,16485816.6081446,30334791.6090157,20288790.5733595,13083594.142626,27854232.2445883,13100071.3371838,14753088.8069588,6793858.52379036,12835337.6944547,4834119.99663471,2889791.3156099,4484375.38901443,11266654.2582049,4484304.49396843,6032671.80736151,25963706.248797,37108099.4600998,37532856.7986856,29642973.0847166,16451793.184,43930324.9882928,83869829.1628476,24767036.781825,47490831.9757721,77285657.8568422,41146377.4374483,89070051.2210837,43679459.5196713,13838848.4561785,3801699.80294997,40010288.6123924,38962152.3519922,23617889.848348,39888269.8392785,34254499.7293808,38811328.2248125,38482282.9980803,49716397.0051222,39719478.9491551]
["4-Acetylbutyric acid",0.910675230769231,null,null,645.246,129.055598073327,"MS2",4052921.39341734,4830883.85917767,4279818.3863858,5311905.7031745,4460328.0582176,4768640.27346947,4337974.38034861,5248821.59979667,4824452.84805933,5156060.97208926,4682323.87367127,5008293.76879392,4456040.24957927,4505324.03001307,5705020.2374168,5456524.94545324,4912745.74918817,5040101.64409823,4150481.33679914,4642208.06961709,4626093.42000872,4786884.90421072,4809473.65118795,4790950.09531435,4204890.97083479,4570197.47168794,4173001.47457325,3944407.57032058,5091205.90674778,4909588.12192021,4909480.76965963,4979493.47134509,4710543.77482385,4906905.11503795,4594013.67900102,4364259.55784992,4678771.1425189,4492439.52555532,4536385.56830712,4143691.55513873,4602817.73139054,4818609.27810726,5346254.92298943,4330092.05741309,4834400.66766273,5638329.12148102,4847173.19156606]
["4-Hydroxy-2-oxohexanoic acid",0.9100876,"2-Aceto-2-hydroxybutanoate","-3.91382002618161",350.1505,147.064604955666,"metDNA",3465547.89906697,3878190.96240581,4177229.11839359,4728767.8475336,3687948.28996304,3330802.48556248,4486651.35645536,3100925.80161573,3746775.85490391,3282019.49726693,3578022.75977565,4118088.12619554,4457635.67385938,4310870.55122058,3450179.23671818,3758023.35742751,3595020.74139483,3844674.99352896,3659100.92916367,3997068.28236161,4383699.29552597,3222760.99666015,3302750.42177828,3493269.29297977,4358791.0497857,2807621.32270983,3399570.30966638,3553250.40588454,3089203.95694922,3224138.13509697,3741223.58268748,3076985.6086602,3387631.72602084,3143836.12110983,3560837.07246429,3240670.20740116,3915848.8190243,2931270.57410891,3354023.45219873,2757542.41075643,4595700.12464928,3461997.2168647,1862401.22756273,2759562.13266965,2415795.89888265,2626740.90568804,3426656.25071387]
["Leu Glu Met Val",0.909789076923077,null,null,215.683,491.250792075345,"MS2",0,0,0,0,0,0,612072.353024999,61781.8048754232,1741312.75070759,72148.6515267442,1233423.05881736,306203.395195046,1362907.70191278,9225450.92848081,3595647.68252767,507606.29029541,831241.797314157,4140980.5346436,2602677.33764723,2026676.95013513,6801721.71579146,5480120.07634985,21723352.4604986,0,5189.11971121307,17038.2477139204,5169.5392375424,0,11558.9392326772,6799.76606686568,0,0,9527.62332039866,0,15457.7643338825,5528.00934433115,0,0,0,0,0,0,0,5665.39177574474,0,0,0]
["EVOXINE",0.909410923076923,null,null,45.4884,348.146654980277,"MS2",878860.215209263,173006.490457618,830871.758712045,1320719.87071685,561803.509910232,517358.324955589,1777222.57364196,1498920.4358161,419409.675993963,1440754.92113616,3423911.72484859,1032933.68707217,10150951.726565,3812626.62726536,4654696.81669269,1982759.37207893,3242692.23631487,336260.639462812,4872652.43781716,9109544.88175627,527204.448665625,5249127.40212042,796242.14641289,3966498.39081689,5609876.85096583,7371645.57466071,4295471.42859426,1712015.68329097,3294539.36162094,2111231.97294526,6728906.74759773,6717575.80751686,1472833.54171934,17139861.8313438,4889506.74072246,3374063.97798239,3247165.47299822,4809107.41143001,5138803.57366815,3476155.99000695,3179812.76707458,6048439.09103571,5324104.13766094,1551558.23827241,10541344.5446463,4392556.96276255,15419112.5340804]
["gamma-Glutamyltyramine",0.90939318,"Lansiumamide A","11.7666098098706",181.227,250.125571943287,"metDNA",18723.6088929109,0,0,25496.4759847641,7802.10385273844,10981.5065361531,67938.095167198,58162.315065515,20637.4270635001,43724.6501736478,231019.431108816,26579.1941209003,178955.029252427,113123.772763208,93381.9385916265,8366.76981825828,126411.299962669,128277.65119043,43594.5301411549,83753.9548853338,92398.9005671471,39982.8694355111,69396.5050222789,530536.314733782,862296.335541588,1456989.73542203,1098853.5413142,38467.02735621,289471.527202473,685231.888292287,4489593.98584821,1247445.31414342,367107.56808789,1975824.93245283,801815.79787172,306225.11946921,25263.7247986141,473588.558755744,199901.261467286,454849.806992187,297902.683032593,1272916.53159943,741716.028729033,515352.944011232,770440.641256511,822408.64621928,1580930.52716869]
["5-hydroxy,3E-sphingosine",0.908229230769231,null,null,479.427,300.287935299158,"MS2",2223528.42338709,1177074.86359821,2151168.09847499,2726259.57345957,2223672.32851068,869019.204085157,1588472.80242492,1337630.50736126,3016114.7907848,2951101.50388393,1987183.29893064,2011686.18749748,1976547.92235736,3500828.7050366,1965552.5456066,1334799.72942086,1954182.81609536,2316345.70900546,1612017.04398979,2959850.87189631,5189620.50235203,3038769.53210792,1617301.19481738,1556944.03565143,1942023.29030357,1808179.09877047,477255.889764064,1708879.33168544,1390689.12833036,1540109.06769716,2789623.39783008,917376.44148855,966659.707526694,2599210.80445371,622089.99128203,1110876.45471175,2021777.61777031,1440694.2525053,2288299.11204818,1598733.34839583,2074640.72220053,829797.091436013,2535086.42286541,2269779.48015301,1678527.08001158,2233008.55922265,2626392.83132102]
["Quinic acid",0.907876076923077,null,null,36.3895,191.055837817602,"MS2",2139688.39946655,761452.791105414,2559613.98269033,2127290.95891567,1535112.6573891,857458.286020833,4511380.15779012,2414511.0960633,5935593.94002262,3982685.54103226,2619957.30261672,3871162.72192496,10096214.6577613,8069370.05175337,9398730.7991687,6276173.02933558,8185846.55719911,32397398.0344944,11379092.8871306,6176046.99107432,15637165.8797555,13609111.8742413,21957623.9177546,12949006.7179032,8471336.719929,9906055.08874627,14333301.1244059,9323038.78777777,14301355.8580645,10046538.0902543,14997008.2344941,11502247.5661417,10170233.8252736,15356327.4714255,7307083.31904602,10283511.7225583,14812649.9429763,17772079.5320182,9234682.74119307,9626874.1050625,6049410.13198976,11248781.1296515,13006584.402608,10543123.2972084,9710128.33690979,13436966.5139148,22971478.9804188]
["Butanone",0.907573769230769,null,null,653.5565,73.0643907275198,"MS2",12839818.2912034,10509916.4003276,15591527.1720167,13734805.0167785,13292833.5075134,18401812.5363656,9942166.51041801,12112627.4384254,11520019.0936142,13747413.5951541,11304980.8916878,5896374.91333334,23670754.0135316,11244791.7629134,10816285.9336867,12927059.3671214,4891671.52449198,4414537.83697505,5210479.37455526,11172137.4614584,15050270.1152099,13119996.7657291,13590655.2667539,7380745.17359995,15298476.6216007,12893993.6335863,18318328.5225942,14982136.7474723,14466763.0435384,14905959.4266946,12675968.951597,10023044.7507529,12543503.90566,12560075.8957889,12485651.0705261,10246231.11527,14178163.0162594,14870021.4828932,1655247.28617365,9613755.0799203,5268919.81965932,10905908.788196,15222319.3394779,12700837.9592503,13741280.0849979,12259840.1272156,10092573.4274448]
["Tryptophan",0.907107538461538,null,null,163.217,203.082336497079,"MS2",2765320.96343048,2892913.69593797,31703443.7932425,31187189.9827457,19387014.3464494,14787128.7590262,77490821.4334654,68897529.9879181,119020813.948781,72502972.8668032,146591983.220863,35711545.8151243,138771979.743196,107986822.2942,109209499.187064,36784789.9356665,82417936.7839327,139571016.787871,60652959.0178673,87415168.2333986,117785287.918629,99351575.9393849,127995705.455921,38306214.0146144,58555317.2931079,66582579.8099743,42431891.7524535,14565774.5452781,29246060.9971809,37717474.3026867,152915811.590754,82440584.0131197,30155989.4262359,174634181.862877,108671587.748518,36486628.9918314,11899723.1728956,42158522.3785763,55602671.986057,77264789.860208,46613228.545019,110375016.989033,64991075.1317343,50268251.7850224,91465435.5241406,64886901.9159474,142232847.964692]
["Debromohymenialdisine",0.906776153846154,null,null,58.2104,246.096068882862,"MS2",8080905.73282999,426176.564254636,1956935.38817138,3955908.83399417,2037938.74116234,1747883.27968944,11533660.1331887,14218932.5845624,14725413.8859871,7388348.5397638,38252251.9703947,5622284.80169989,62488250.4406794,27169351.3556585,27895624.086757,11069969.964673,12584155.0985132,6475100.13398954,26885396.0521592,35198828.3084773,14512202.605144,38141850.3528688,12627737.4645479,116392369.170787,176853758.178507,205993539.109738,116938561.323254,14629430.6206928,41995796.4717131,38886073.5180117,314736045.350603,236487196.667487,39232029.4249751,304095880.511352,100099972.436936,91614819.8776794,26728208.6321162,125869373.725063,130202907.164872,139495982.06998,98428061.4805519,139490630.130617,118554680.419939,28607039.1301719,229815619.184821,78226627.3797086,284901724.571694]
["PC(22:1(11Z)/12:0)",0.906324692307692,null,null,362.0685,760.581024057636,"MS2",15511955.162068,5115852.42695559,4937627.25930484,5690369.20497679,3069707.0895774,18212473.0346058,23372366.9747447,3919414.99277261,5615578.64528089,6995213.63543896,6253240.06814415,26428930.9350677,2217251.25229998,6859339.23003345,5833249.14406597,7350369.09784732,39214886.7650781,45484092.8742006,6971639.1531428,5288196.37966444,33570688.9390441,7919770.2362792,6219116.40614515,19188696.9707814,19501317.9177488,10287137.6546249,6796591.64983217,5265389.15012909,4001756.1628528,4149038.05544713,3029838.68284325,3898179.96794697,5099367.16966178,4262328.02467694,4558207.76694247,2700846.8157146,2316784.51713109,5644643.79233644,2490129.44267498,11782226.660682,34027071.3359814,3241578.14829577,2441535.68043044,3929360.12279344,5664199.80331171,4551220.83124272,3430519.56626494]
["Zidovudine",0.905986,null,null,35.2387,266.087728570957,"MS2",1201957.81706419,1105896.76973903,3382084.68470765,60659663.9196951,5567687.46872821,1569720.45922075,15443740.2574754,31753489.6360867,32757409.0760055,41503232.8711564,81618430.7855762,40470733.2113036,7954783.38938376,36330632.002517,28054246.476627,5462602.9843848,32734106.9107331,13930483.9716852,24452714.1855276,32396007.2211002,13057129.2053973,30338175.5046964,9279797.08317187,240214.837086965,727400.945430242,277312.144641211,613199.049899918,1135308.53948892,2242718.50526273,3074400.33782263,291617.348796433,413510.857789636,979729.179348214,1163328.84076665,2916146.10942445,524235.472640845,689911.242726633,536261.853864038,330707.049910714,637332.610278299,1535696.22621132,768950.017346572,1494515.3726225,1022879.04548134,3969942.78432176,1276406.49126289,969099.098839439]
["16-Hydroxypalmitate",0.905933043999999,"Geranylgeraniol","8.71908149545714",325.994,291.270807409314,"metDNA",2785841.06830331,14165769.7158399,2621839.18511011,33033218.0107026,14479358.6724973,8667268.39174206,7106508.38690417,13464178.1351917,20470512.8403193,7100011.54594043,6631406.2545664,3529400.02012336,4934393.22895952,10781579.9910081,3570740.61991648,5243183.15679867,5071999.17816902,5138294.82109036,4949943.56048363,40787787.9814361,4501869.28011046,12899804.1389403,8018692.85848295,6023065.74063333,7266318.86522593,4511908.39695566,14539922.3466911,5395423.06089719,4844850.7697976,3165972.64429584,25681878.4676254,5300945.61477905,5295173.29104587,5077271.42117529,28356878.8852185,5991118.78351104,2809352.00985636,4695688.25788808,8636145.25731473,4462019.58957533,5128161.30307559,2499196.42432964,79339878.9070083,2666681.495975,26054679.3942353,4396374.95488769,7963251.70334173]
["5-Hydroxy-N-formylkynurenine",0.905810187,null,null,149.912,287.044503309176,"metDNA",137836.046350597,66204.046579803,75589.7877225509,100560.561250152,73765.6188696623,67413.9009286403,149502.613740072,51142.6181910604,7231367.43569132,492357.794123224,118661.122890008,308416.849949782,68607.1857122172,201637.594805775,80957.7830189212,102083.085064232,441694.916827034,13593252.5740185,470248.154885897,238408.241223413,312422.957631372,211173.958921718,129614.336232639,143860.863884997,148277.137086305,58668.0544065262,115017.319263849,95741.3242454405,106391.791980664,118247.583858735,65328.6249420361,57952.7980793414,87747.869954511,108489.182128376,126671.907781836,55898.7951379057,109827.018848109,98086.4579139581,121396.07624966,64326.4468301575,126727.2122443,197690.505612955,110130.313004666,76532.7118676333,81200.4906196296,65717.3615519791,65031.465640625]
["CRINAMINE",0.905483,null,null,326.574,302.13803088369,"MS2",0,8331.75566610537,1609206.69251895,3300848.03540937,3623131.20259486,0,2324293.38798377,980945.15878125,2674641.9321337,2518736.96836218,1651044.87077235,201613.458476572,1521072.63225151,7480008.35574231,13853280.1970165,8878550.02508242,1390583.78734135,1926430.58621778,857180.187595867,4617076.01706597,3202376.06918785,2328681.89252221,8430104.65287221,6028.20393739842,142357.255546882,184968.955454943,654594.762741053,891857.803605624,1796652.21255479,6645844.16860204,21040.0753126364,935630.355355914,3379128.73144399,234278.48636151,6066736.03557689,1132531.78210714,0,1152812.74743439,0,160366.286035825,1850340.17952501,3152106.40094752,1915751.15621093,550948.807437365,3914547.01131696,2128278.7672026,1043723.19696615]
["Pyridine",0.904924230769231,null,null,21.3356,80.0490334880673,"MS2",22765717.0920285,16609362.3118476,19696632.460094,22173670.6788652,18647769.9714142,15195754.3896641,25733174.3292541,19170337.3052915,25158625.8731617,21860237.601729,24537520.151152,20203650.0291164,27770945.6305168,20874027.0994539,22410097.9356866,19728896.4510299,8200347.37765653,26579407.0292408,26098394.8155642,25378546.1742102,26007070.4064415,22645745.8614611,30325376.9652879,5173330.81144881,6910606.27822913,13135521.4421598,19619206.7962115,20293729.402623,14318974.8996413,11810567.8944493,6687988.9929068,8947051.38256992,9760585.96889511,21039041.6236031,8330325.99306089,9641192.37127043,13714558.7035917,12074955.225085,10340315.3078343,10738984.8643679,9590806.20987182,15264361.8966211,19001975.4499341,19425069.3418301,18993245.736973,16755306.6068938,17932554.8000998]
["PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]",0.904900692307692,null,null,421.115,496.337048746983,"MS2",2844123.5870265,1680043.98776549,4607930.23344644,7581573.140977,1803994.52548448,2221142.09209655,97366197.6434998,17001930.3926545,95802142.3106059,51141928.4331428,57045230.4858389,50096920.3397529,84924378.7863372,48317618.4108366,125638850.503657,62969572.4530916,117325988.625857,217657854.865312,26833682.9997729,20924992.38375,128728211.407714,22273661.1835838,50454469.6293113,14833813.3260367,82527070.2077399,30958265.7373321,13806318.9957048,4845886.857397,11850891.6517652,7802616.97946644,22693684.8044139,57115344.4202344,67456081.8582849,21088048.4183571,30311625.8302841,10864637.736968,2551347.37148089,11294099.8461126,11652074.1310826,16063436.9418288,26821281.9879275,22339599.2973384,20490156.9011622,13513677.2690353,20993377.743896,12773946.2494682,11354059.2880573]
["2-Iodophenol methyl ether",0.904022461538461,null,null,25.4826,234.960028896582,"MS2",67462001.852531,29991918.957947,39024296.4609181,34177833.1126607,41775152.4956815,28360713.4793085,25775953.1907309,53988814.3708527,23556334.5643325,23182872.4154829,52993533.82318,21996342.5504062,11900578.5024363,35047584.832058,42861341.8904143,77347642.000587,49703737.5732857,7856712.91891512,6276425.5443266,5996706.84024024,82511543.2489029,41087577.64833,6496775.8038082,48543539.6883761,33361423.7109911,33839106.4707671,36170049.8094928,84234240.6368501,58940600.6104152,40213259.1502439,36187289.1628209,19138801.6128619,40763047.0401023,18764203.1369674,14474548.7471215,23324005.3411324,89388043.2417014,46170073.9697718,40172989.2420536,17140929.9311812,33332810.0422278,12502900.2238795,39161368.010375,50949986.8786071,30471689.8437898,28210355.7927311,10851996.892312]
["Testolate",0.903199357999999,null,null,373.081,340.202651978554,"metDNA",28002427.2032142,90921554.5283034,37421239.7866065,41585683.9860393,41723582.1711427,20644838.5785806,72654305.306143,33987618.2135447,46082923.8312858,40041854.1455604,30757934.9050362,31179395.2670785,27091403.4426323,47699861.8179507,31149369.0433538,28832716.414814,36638539.1610929,37023063.9145,35486365.4360319,38545922.5170698,64628845.2423722,48345066.893932,36591343.442997,23964692.9346149,31342090.2467296,29350817.1213658,25025905.0080001,33450597.1716429,31474495.7802933,30570997.1554303,40736764.6116803,77638873.6388569,30404057.7165982,32810774.8201308,62281957.0102528,23123574.8879979,43458718.9513081,31371962.9342296,42667319.5316134,23833070.9849214,35619777.950049,26749266.372093,33288609.1164027,40447672.0792151,27128346.8708571,30982651.9470001,41818732.3168605]
["N-palmitoyl taurine",0.902672538461538,null,null,360.3245,362.236565177953,"MS2",8410.6584344168,0,748626.684366085,833851.711180104,39655.9350401421,38545.0736724016,2090491.63462098,514996.8471332,914656.452691554,2123277.20361049,2465285.90954416,1628598.13478262,969577.406948542,780250.661050481,1458178.67779175,1083031.8721875,3414228.2138528,372516.773254232,182241.319100895,400374.284165893,114606.647441564,287201.073959849,238894.231178571,423325.996608496,890175.872983367,366567.083156503,1657609.36850942,372617.740828128,2613978.28363394,288911.561078551,1218254.67102726,2060685.83962772,875616.453775764,2499738.15971589,19914009.0636999,1715240.59790226,54362.32742781,236371.44153452,180811.605898653,2442440.96189776,699301.098749998,1153273.73995397,3262796.84377915,2262161.27418279,3126498.99581067,1266630.75043863,268277.480362795]
["3-Ketosphingosine",0.902515434,null,null,443.842,340.30229252634,"metDNA",1120735.49767057,3329165.99003596,2074861.3210908,3050585.49827523,3790956.47465261,2433612.1483002,1218801.7161871,3118074.91158303,2733041.1752514,2015239.65395718,1411959.64122967,1575096.20775,2192364.61881538,2379518.47555961,1347000.79173787,1344298.97033141,1930037.25877708,1577615.48403361,2590950.01387585,2995548.04367889,1604718.49978551,2774352.81300266,3037552.05506797,2227982.16445313,2747285.02350193,1839710.62820934,2613389.32608386,2118171.38983409,2033098.34123437,2291299.21151786,1961107.47291642,762370.173364763,2115336.5676966,1941060.64698172,2024646.32830603,1319421.90635794,2214010.6700806,3090066.01878784,3984296.29454187,1595616.70504481,2433259.36442411,1880820.93815396,2676365.21402375,1699438.15094884,2406351.72587601,1421752.108949,2146560.91645686]
["gamma-L-Glutamylputrescine",0.902432347595101,"Guanosine","-5.00809538388838",137.565,284.097558849764,"metDNA",3017678.65844907,3950102.17346084,37648486.6011471,32447628.7708019,5967977.87611606,3038229.49516331,31625118.9874286,53943198.6015,25325205.7412173,31583420.5760357,99615166.4292984,32988870.4510571,30734714.1461298,27449161.2072321,44202576.4412143,13350643.7569862,41454206.6067019,11975979.519758,5578864.0664231,24989677.8270769,25449318.3493844,12547166.8122479,14432597.8720254,23950870.2883595,46300449.2258213,60598613.5184777,34884286.3651372,6052708.54871026,45430178.9278035,48878378.2980812,40535490.2338933,49137578.3876075,50164859.2231296,33100970.2523036,135836693.443286,42783445.1489748,11078968.956308,38464388.6115701,61373490.8143545,46290420.8575211,29822539.1522082,66035831.2129286,50360559.1438765,44800093.3512119,77010601.3959376,39582407.4833571,54320026.1927143]
["3-Dehydrosphinganine",0.902401281065456,null,null,422.446,342.317928587074,"metDNA",22550387.6585636,39388424.4239983,22415218.6334694,25927005.9292501,33300010.9946778,25994667.8730135,15450363.1084175,34636660.9799097,21475802.4885,21365580.3488949,25738037.7434243,17310687.6358091,18066734.0797739,23699519.0561128,18966402.9756563,20971744.4562959,19514958.230266,16670271.8770714,35299124.9499094,25563252.8343053,17472018.7271787,26417857.5522278,31437947.8531977,18773361.9173677,20205810.8031941,18006169.8669472,25501890.3863859,34397114.6832696,29606697.8675682,25114885.4282944,28113479.6374363,16017700.1876529,22813714.5649315,21056343.9021511,20420478.6654817,16210375.7977246,28939588.8784297,38977372.1200579,49614890.5009886,17489381.748467,22594088.1485611,32711854.3254834,21387206.9773342,27483343.9606833,23638635.4396587,22069619.2674823,21887654.8577143]
["Ser Phe",0.901561230769231,null,null,171.549,253.117098936842,"MS2",84924.7954730848,139216.723513787,2091949.24017857,2206065.18905117,1021226.26122005,1041628.26857143,4213668.35729857,1243700.10272168,4500504.63390694,3943980.10252296,4397352.93853516,7114176.06229168,13009949.6998021,8599668.83937498,6583124.62744582,1743559.69283503,7947108.0748998,4152620.98539021,3350142.29297099,8492399.08089717,6988882.01955966,6321354.52691641,5420434.53567559,100333.646953125,117774.719552266,66201.422495619,107083.274560553,100744.43471442,87287.9982966781,124493.816122174,65745.6814878384,83792.8400479114,95948.2879331176,75421.3276148306,84907.580386298,97235.9761137239,97878.3252509915,82499.6334732903,91700.6783632498,56807.6982769436,180817.360717535,33662.6026496887,136309.07087748,117635.194826042,75206.7441041108,65266.7302211268,65134.0178435083]
["Linoleamide",0.900281692307692,null,null,403.3605,280.262156692329,"MS2",237157339.932734,115064276.709302,125402318.979423,114971533.89715,418905189.098069,291322484.174901,95622512.3045002,155669776.961045,308208499.81728,140134045.454487,312553402.737962,273647046.160607,283725832.759425,324635179.468531,102913702.965223,132166551.893894,165703763.411537,311469017.00931,346315699.916858,115203924.442286,278209827.548018,303621999.274286,425746518.825217,289986777.671421,329874074.244,98436939.583408,331336562.324014,103297137.456214,129594866.883868,122552822.005714,89861173.0552216,221745424.559513,110344434.510577,89362827.2426999,272146198.74314,77953030.6604735,118335656.569219,352133578.606202,171061620.644571,246741671.173744,325844215.891967,298492800.683362,85807204.5368569,108995463.521,96403754.1034281,91255559.0877631,97677110.0314287]
["8(R)-HPETE",0.899312409719467,null,null,414.693,302.218027786539,"metDNA",17067.2904880184,43533.5547966957,135358.770118857,1012190.8806744,63069.4728092276,20820.378263998,556745.956916971,1143059.48940004,3415769.00441557,1987504.26486609,1712182.03393296,3031803.73570983,5743902.42695084,2899612.77448759,3498820.23451881,1798692.70408634,3428878.29055377,8544872.88639905,490988.715784485,2827754.09827935,4664871.66865772,1022350.97461308,2821517.12103462,63111.6904900298,4252591.10062383,238481.339393466,77725.3946742905,0,8240.12581392435,364722.45886607,934973.542285717,2756574.09409947,3295817.44108223,31146.4313956407,34174.624895069,506613.294726681,5878.12839984894,136662.098980979,1270658.46407662,897599.34780402,117569.548690553,941140.797445121,331861.731683594,69046.230505457,668913.603132221,130696.580875468,168097.253830078]
["Glu Asn Gln Glu",0.898996692307692,null,null,285.595,517.190410401528,"MS2",14319.8420603573,95179.1814656448,3133645.45087129,8459512.55424633,1977210.09170497,191013.888086312,12600705.0240631,359457.042448193,14136661.7737384,37391728.0546931,4453015.86556086,19739616.7521281,14290412.5812093,26887606.5752524,10090276.2039358,6938112.504375,18871906.0241869,41620253.5920086,11583543.5351563,7142037.05013475,14455877.5195714,12291114.2008312,5340938.28057943,0,3069893.44921201,68885.2690811511,1078565.18603784,406935.210043591,353312.06383441,4421942.43330561,8408.4170088172,462062.741372242,3861453.11034896,557714.632256355,1781242.22876786,2291616.09958126,0,93587.5173145334,0,110280.38230762,6453529.66211072,3960109.18447874,2114021.94326325,0,2112813.69796531,628545.215023125,188181.614158762]
["13E,15E,18Z,20Z-pentacosatetraen-11-ynyl acetate",0.898221,null,null,543.353,399.322942900184,"MS2",556939.325970851,398036.772340911,993632.797178708,1091298.10791016,1056371.1469515,423367.42640073,5302164.39288221,2223841.16671053,1039845.55928568,3562789.71619337,5340016.83166762,2288491.50722754,2344161.02890784,2758127.60889859,2719866.32780705,1302072.91222267,5167494.88648668,1353153.00476654,729982.799054279,3530719.20824999,3225433.26842818,4916289.24753477,5476475.47642299,1183715.38005567,605016.422046661,314569.923421348,1882021.15041493,918070.128314699,1112168.47293161,880889.429546755,404085.149280259,568797.420560186,546649.412969142,589937.261134322,2506379.01609374,667916.193303946,875318.968548298,681384.580326557,723055.718526602,659862.984684037,2866382.41067579,1866573.44471377,860623.824263022,849325.319217258,734982.352486815,411578.388676189,386579.416120901]
["Cetraxate benzyl ester",0.897550049,null,null,262.564,449.20333059224,"metDNA",0,331326.043359373,17168600.0817837,8862298.66832143,25639434.8181583,39911.4984894178,46127310.1000402,29798266.8575891,256259010.985714,79406882.5807102,28353083.507388,1519274.06673438,164890159.902,23894358.0706332,96198530.0277236,23576149.2808351,5543596.14337195,186293281.968264,113573635.269534,83980363.5512615,434604682.385426,207054153.35025,509530152.455999,238040.737838995,23702068.9054521,1164648.72823064,741536.194765001,4754324.65323214,8847775.40018747,68081579.3197979,515455.702297917,17215043.9069297,14198738.5269778,5301529.99234833,24087479.1013731,4474300.93476294,273132.921582341,2703441.73400627,814234.0478567,21891608.0322077,55012546.1151596,12165617.5791428,17053718.0351055,1340131.50623404,38579501.9581458,10397239.5393992,30390829.8477896]
["Latia luciferin",0.897145730999999,null,null,357.426,254.210195895642,"metDNA",1962558.27209766,6346503.63350379,2626747.56584253,28551068.7407416,9423826.86744719,5948321.08139401,2013863.05682319,6474548.59907144,7022900.93760292,3033295.07902008,1893252.04895097,1923198.31100892,3770646.63756298,6441601.91077329,1698960.16937876,2311709.78123618,2775625.16693503,4176360.14022019,3136617.55201063,32149883.7763607,1785305.12757684,7807240.58327892,5671021.79121306,2568949.44469242,4630144.01432142,3283976.53259053,12240550.9596071,2597306.56714941,3723268.70111899,1973282.24754439,15868474.8277788,1919012.62765179,2733027.6574789,1482597.4110503,9024241.45800025,1728689.64836591,2042316.70935268,2595953.41356697,4051955.95398403,1351333.69628188,3163302.45001205,1847018.77327923,27738302.4206918,2182180.51062337,12204392.4572233,1815153.11232589,2832667.76886749]
["(R)-Pelletierine",0.897011615384615,null,null,559.968,142.12212401137,"MS2",10705668.2814134,9352811.14742188,10265634.7867407,11635540.6054062,17594086.6771282,9529642.35328319,11622082.9737418,10568451.9095678,6018594.05273572,11189905.0922372,7067615.66938577,10227146.1495113,10254393.9470347,11923109.5484124,15304372.578505,10378302.440651,9817797.91145361,9210693.75162055,9580382.91580077,9147657.47573034,9524313.42150824,14866241.3086377,10388710.6027648,11191977.7061682,9625120.56943594,11286839.3079284,11254553.7130801,10664286.3837528,11135891.4084131,11104438.6286449,11192841.0034877,10024220.2171489,9002003.77578735,8530583.22507725,9998678.35320282,14903815.6549521,1003699.04012503,9728665.26302937,9503814.72798506,12240344.0122623,9439692.37348956,12103559.2746618,9683825.98362105,10255623.5676021,9163080.30665021,10239284.733288,10164214.5498914]
["Raffinose",0.895024307692307,null,null,37.02,503.161015007808,"MS2",176732.610662952,349699.460147235,758999.472395084,1470996.44040336,1047165.77700626,696612.715469949,1727561.15635254,707099.024890831,1914491.35616942,432419.398536816,3842482.03049439,3708412.70915772,3379413.7522053,8854421.86673325,11981156.4265612,2486625.20855756,8496593.5414694,1817253.77588452,5255806.53436084,1868259.44516729,8646503.43587035,2939365.03545006,3041416.20324039,943822.722153075,814102.859225976,847020.493637124,767991.357220982,433032.594262909,4013270.73997903,199752.900173939,287625.050136477,514542.672998331,11647.4119481146,9839512.66092282,7917742.45167995,1393202.71846205,760938.360758858,571848.760555063,869202.271466518,6756541.96897327,2670619.64124015,7898715.99511644,8003449.82769719,1339667.58706191,4045642.65875064,369788.627748907,427561.809269737]
["13-epi-12-oxo Phytodienoic Acid",0.894857538461538,null,null,350.6285,291.196096448572,"MS2",282105.894040913,428680.473742691,1422715.3048139,3752655.68345986,683315.208036859,583649.334687543,6586521.58090345,3673267.10314403,25284308.6338211,4130538.6507,6147508.17895428,20308840.3853406,9550761.16332851,22724572.5942388,16651962.7704567,10631640.1781322,25086823.8812171,9375973.69421354,4822241.67038753,20751905.6199507,34558132.7082446,11288350.7877783,5517362.5085079,1054451.26861583,11146054.8556588,877350.425576231,1698518.43210059,119679.549491419,929099.723707826,1009274.66601459,5298902.70676191,9734019.04259632,13960643.871247,704868.046819853,892005.314580878,3838399.41318638,143609.490592274,1297549.81126447,7787626.18190255,7842207.45499126,1711362.27618228,3819167.45469365,2225713.69613328,833256.7480948,3220821.08203839,1090441.30528125,2440139.61684687]
["3-Hydroxy-5-methyl-L-tyrosine",0.894237171999999,"Fenothiocarb","-1.11300557819579",171.869,254.12069488304,"metDNA",56685.0606748892,25853.0481696725,273254.073617231,170977.314454165,125714.436693326,170657.11304909,544219.339908855,97575.3342446089,531353.012474207,499540.959059569,488909.735310856,888147.028610839,1579791.05658316,994930.926370584,827166.183969309,236392.850597394,1063073.83671902,333268.176825088,806524.536990189,987052.528751954,645409.300005415,816975.543635507,478183.650384919,59404.0461090803,46510.853286624,21894.8788870126,49452.2938333526,12844.7538127016,48046.2563269349,23979.7198933821,18132.4442316127,23388.1250974044,5904.06194209337,30079.9717229481,18224.1361359608,18713.5088486075,53556.806917218,41803.1952860713,61686.2947182215,57700.5045438087,58407.1934204578,27257.880780749,33225.1556761467,21778.362538447,32950.1454503119,11212.7345228434,20115.3107244149]
["2-Dehydro-3-deoxy-L-rhamnonate",0.894128917367714,null,null,220.9335,181.053775968605,"metDNA",54955.5146725948,495825.633840849,1541730.13884109,3871867.26372356,2230244.63428231,36685.0903037107,2048387.25570545,1596911.75042279,14678998.4282866,4944386.51058042,5723113.0710545,936649.262058985,12641047.2917637,3643241.88607636,4458791.72442623,1407836.41146746,1153545.49813086,60227607.8046711,9467239.59548126,28127934.0079168,17314818.7103856,11800782.4138183,19198516.0323308,827074.712557165,7695938.92761469,1074890.34325499,3131068.1536738,1331866.88385031,1667923.70544971,10509911.0584688,651831.450267041,2666876.03915207,8926687.7705806,4481302.12324835,6306709.9897123,1220847.14642178,258732.958875488,4305654.48669283,455285.511116571,1623615.61322723,4236599.34008645,4722065.48172181,2605612.10412054,1142991.35104131,2262054.47580824,1170674.58482973,1877078.75995574]
["His His Gly Cys",0.892915538461538,null,null,376.93,453.165138343864,"MS2",12956880.0935089,15359154.1701736,11230937.0343735,9687929.41556934,9889075.48483505,12274135.76025,4869856.05042858,10453353.5385742,2945944.39425011,2320770.59035714,4648535.80923793,6383551.0435725,8007428.70028493,5517433.9213292,3705097.10077567,4127650.14953572,4960958.54126786,1344110.03412136,6767260.09805055,5026639.99357539,3943686.5801074,3668183.14404954,2690931.58007143,12702420.7999877,13932501.3254672,10146174.4120982,12512400.6526071,12039292.323318,9928476.22990991,6126732.43354116,15388749.0696774,10388088.7527857,11061907.4608214,11651756.9148567,10422075.4661571,11043452.8442411,13227509.4255501,11726719.8843272,13573195.08161,9067055.69769175,9585179.38962143,10924644.8622647,4625942.42359138,10817038.2827971,6416891.99485583,9428100.66052457,11866800.5175089]
["Octanoic acid",0.891643371999999,null,null,481.217,143.107476695157,"metDNA",28049914.2575427,56815238.8800046,25724676.5611315,55709603.1012857,164433591.506591,10762657.7731475,24884650.5533782,60875952.37257,87897014.0043822,73589390.8803951,75824041.6047994,30263763.9605445,25911641.2894468,38635094.8020848,74357081.4524809,83645896.4389287,23894105.4470781,30073598.0265527,27349184.3160551,85321462.419685,19578450.2058807,68591157.7688173,115058225.071055,26751501.6755692,26678723.6753597,26559948.1229756,25950624.2113963,59372551.0418935,88194450.946513,31807616.4234583,75024020.6466446,99823725.6228725,57267745.7028451,28291700.3887592,118771625.780164,183773374.364161,71788541.0101057,25626369.2973331,27509771.2029221,26993749.7686809,27675297.2157322,67102126.7410563,86895796.0506706,103868766.334163,51879625.4923191,90659344.3653759,60867373.7836583]
["Octadecanal",0.891459503999999,null,null,540.4515,311.31194253609,"metDNA",1219854350.2966,1029993959.89825,1223783453.29714,1344395238.88006,1764370911.86248,1028915226.25124,1302388483.89112,1725528489.59537,1217327300.00631,1447769148.79799,1526439952.11283,1361059065.64908,1262546701.69074,1530056249.76609,1430993826.73775,1396415860.54526,1600100569.00927,1395646971.3712,1423725594.56436,1406260515.16184,1170947736.29054,1579721559.11216,1532496666.74717,1478166461.76952,1308017705.11924,1478914977.48541,1634838788.51255,1590460789.70314,1731050054.43268,1650703400.57896,1503611586.54255,1341893013.66895,1553514823.32554,1307081285.76567,1522000018.77138,1258898108.64983,1719536443.96729,1724367085.70247,1538982794.60411,1423692155.50729,1475529538.84488,1954556604.14441,1447970080.77864,1476401879.65006,1434551795.36029,1375805767.50707,1128720445.72794]
["Uridine",0.891416846153846,null,null,92.7777,243.061794187146,"MS2",737927.478854379,1011978.48200787,3260356.31584279,4605099.10669983,1371676.63049225,637086.489796512,2102226.44331482,16174278.3309353,4457672.96813035,3403838.28402048,17372994.7114054,1462450.11981001,934509.820807617,2560141.32574774,3767114.91074484,1336216.38150547,5057821.39527888,321219.664232288,210564.484870697,794849.554198956,1271826.00564317,751765.075001796,724907.796603616,4643862.78181601,17417513.1309965,16517333.3881723,10148103.225349,1611344.69590216,5869050.73080006,18580672.022818,17294464.0627924,24413767.860158,17945877.0265195,7455850.04202912,61866606.2185341,8370846.52231606,496461.626138824,11423324.4803945,23192006.1087293,16228620.1355487,9063549.76540072,18566002.4278611,18375489.2644829,9854367.28937306,38228693.552128,16729821.4098605,14906316.6790105]
["(2R,4Z)-4-Hepten-2-ol",0.891206076923077,null,null,34.2882,115.111255690324,"MS2",24107855.7477894,29819522.4938389,22001008.3172983,27960891.8140361,24557034.1257899,22864664.6467697,22620275.415428,23273500.0943277,19882910.3298895,22750281.7039051,30631690.1931398,22771712.6226764,20436536.9114566,22922794.3202615,27514852.7325925,28827169.5645039,19522837.9034132,17479314.4052073,20937682.6102145,25125053.8151123,21960572.4438564,24801037.3220469,24073553.0874919,19263022.7581168,19138016.8370962,20650397.8305883,19255704.3858214,22998313.1264984,21610798.1744289,19825234.4644917,23290582.4758882,18519199.3905181,22469860.2751057,18504046.0443707,18551349.1978074,21701747.4459629,29021853.0306074,21450810.8240061,21106085.0508774,17891234.2296383,18834645.7114677,18676201.7855419,20779997.4426111,22300081.8789739,25053935.7405536,28150735.0794108,16035927.245996]
["Dodecylbenzenesulfonic acid",0.891174153846154,null,null,359.8045,325.183754952731,"MS2",117072135.833028,405965452.554555,156933763.025294,185355697.485933,179304548.303087,95705260.9895764,348899867.781544,157761730.99093,235541019.719727,192833297.469822,145161148.324561,141493668.22235,117219317.097417,212758407.180652,147603697.981,158002287.724967,198728130.681708,193156996.386714,159639531.088956,174932298.776739,337294919.886575,246767981.136733,195580907.06754,99677548.3374943,148406059.032288,130167956.369911,109304533.963641,143584802.137234,136468434.079541,152508586.173642,176838357.939344,357022849.236055,145026911.122067,139818642.684935,284984882.206334,102149119.70893,183077464.730601,140219894.886236,176926460.424451,101790472.196495,161746119.712528,110808578.806981,140922080.137139,177315001.123168,114040326.7553,132630276.515275,183829406.299006]
["Phosphatidylethanolamine alkyl 16:0-22:6",0.891163307692308,null,null,424.001,748.527614296829,"MS2",1004690.66915452,3678360.13159847,2018641.73689286,4787302.49579655,4868567.27023183,935120.082686499,1006013.93686102,3224055.28418411,4606377.18419271,2499040.25618469,2904964.10853831,829879.745842544,1099222.18825745,3152790.30972656,2895481.89465666,2472963.35849947,3380553.97158384,3424049.83151999,4204726.95545665,2318696.66343612,770245.904824586,3238709.51364984,2737948.69621197,2906380.35207529,1481308.49854276,2706657.54238095,2208080.37169443,3422248.44705174,509029.065833311,3842254.99327079,6314537.12421218,3465724.27509204,2819946.41026876,3921739.87135537,2775163.15092746,4254969.34167615,626875.973395805,4122203.15189677,2330432.31419136,1603196.56174987,4147622.07198901,4278425.14254446,4229269.43647059,2618214.47377396,2938660.09680864,3070377.22833483,4840825.43371352]
["Phosphatidylcholine lyso 20:4",0.891094615384615,null,null,398.638,602.345563550325,"MS2",11172.802183177,54448.3868124276,102165.704853959,236371.884642865,24375.2698486399,59090.0060521648,5238622.26365543,573197.343384307,8027563.47984126,4010051.46905735,2631323.80526786,1571002.30378117,4611264.08107639,2151226.06272322,4178044.35401786,2779701.77670682,4176170.17157894,9640287.00850845,906248.079662948,1010640.52069519,4263834.6274869,2493667.23857168,2156180.3045082,135811.025972123,896482.302469546,250803.791218835,986992.778961642,0,489944.09110551,266093.885243408,239101.968730843,926415.594729442,12854970.0295888,394133.969589843,3243063.75278637,1125434.2430604,19926.5174270602,359759.744448877,278469.254014922,494454.140129151,933266.400764095,724327.68830601,1834746.90098851,452456.377657158,861011.098593751,566566.925292404,686176.414808167]
["L-Methionine sulfone",0.890922076923077,null,null,33.8576,182.047425224485,"MS2",451854.086457154,349543.511320296,966805.728444407,1632376.14745955,1370324.82631596,158195.809791748,805236.55644873,3179087.70917976,1190010.60685566,1915952.7091471,408963.058254807,2730991.77260666,799545.433108492,1445903.47203121,2230969.29248235,2655855.5414891,7309900.985363,1596688.84210336,1542973.01465792,3439135.95316056,2008399.11680788,1733786.08030561,836229.38406875,34697048.5983099,42434757.959427,25652479.4300355,55959851.6287554,18040513.521239,23583614.822108,20687734.1197104,39883091.3787519,74392703.7818967,23081446.527993,190549356.106725,18655981.299671,30887773.451733,1503780.00699867,14045176.2695945,17905521.3556144,37079384.1576627,22571344.7545286,74199650.7465508,34749098.3413455,40855968.7421472,17625570.1118735,90174313.7368673,248187194.076799]
["3-Methylxanthine",0.890641615384615,null,null,448.004,165.04057238521,"MS2",3047105.94297827,4468181.88583927,3569690.54841367,2671295.86231599,3769098.48579894,3530534.4098967,4063254.09384448,2629316.18806777,3140982.62146563,3979176.19264285,3808668.84997779,3012345.30744641,3611961.96440625,4205393.45622429,3049725.76046387,3148867.83582527,3456057.58782043,2913143.40816533,2129600.84862095,2827400.56340624,3066630.16799775,3645632.12429121,3291076.03000531,3148425.48180838,2739300.40392711,2662085.05264579,3363040.94021284,3753437.78144339,3356956.95649554,2987727.38393304,3127104.92354463,3614435.57495107,3227591.04169208,2647786.80974307,2663046.51576933,3137540.17908213,2640731.86171205,2623927.92852954,2946804.67202376,3393969.50321958,2647987.08750928,3342975.30530976,3254447.95167819,3877206.00395806,5704216.28860231,2532818.50355459,3406041.4693794]
["N-n-Hexanoylglycine methyl ester",0.890093538461538,null,null,561.8885,188.127295336954,"MS2",7404977.21130812,10946613.4005649,670433.153124922,8536182.87582346,14627823.81375,8623079.19054349,8142422.63736127,6752476.8035792,5730383.86497825,7902788.65602484,9850674.46210712,9488729.5413209,8089514.29354389,10193471.4346929,10200656.2094052,6966850.25790273,9747292.26019872,6457399.27297545,6757321.37417936,8583025.78439329,13416401.6143866,5363141.73779251,6945067.935125,9232178.58844686,616212.205458262,6514387.68313953,8497258.82858872,6227135.18810815,8763455.27740836,9090011.97592755,6490280.85340911,5241357.94695627,7336173.30826155,5961673.83755296,7341852.80557129,8492936.89503407,4271014.2813271,10040699.6405754,6564503.01355727,7856958.98847207,6222415.41562505,9611207.76217723,7361282.70468368,6423803.62027032,4660079.96513817,11351393.7399684,15167736.933946]
["Phytosphingosine",0.889940692307692,null,null,348.8465,318.298600009187,"MS2",194761.924653572,688436.66429818,2614818.81399386,3292053.72959754,1394971.86949389,416464.383970073,65213636.5765824,4627770.45429899,104488651.116991,48971399.4230369,54054273.8728719,14572477.6155391,17610200.9750139,14950847.4046764,25278787.7445397,45577652.6916324,34282692.7607861,38026371.7719003,18366695.5483017,9534312.61991366,37311168.8566556,40062545.2878348,21507587.8555054,3149795.24863593,8958003.47831897,3240127.95831297,6761039.55115192,7984086.79926467,12450577.6181991,3352209.33647569,11068326.848664,6851777.40324176,4068431.97759589,12588786.9119755,44833460.3016939,6227698.97053745,643132.162078356,1936416.53848986,2256700.88148326,6174418.10689915,7435450.4231425,8397082.49395097,22089249.8827263,7519390.90199926,16670564.7570199,5995898.68063603,4518810.6888233]
["cis-4-(1'-Hydroxynaphth-2'-yl)-2-oxobut-3-enoate",0.889808355749304,null,null,243.657,262.061980379742,"metDNA",2468.05846265134,0,5871.89398457683,19857.8318197131,58923.7149578929,0,1481269.85761737,683473.313179872,2175798.73085936,1431630.1691466,999523.609248761,1048306.9412458,1123673.02312695,1280814.79862723,1798985.93722483,1854371.0294121,1184382.86771191,1606261.10294819,994606.582821428,1050203.58135217,4785847.17351705,2210333.17037423,3314423.52580114,6454.80352166922,294580.049850663,0,3293.35811393559,0,0,1452791.3147871,0,151066.970027043,208587.144051314,17887.5342355768,33095.5466838224,0,0,60359.9208720706,0,103346.460143554,167809.464642856,67276.4574169918,71703.6948047333,0,172204.190820314,3295.94895965523,260384.017085287]
["Ile Ala Ala Ala",0.889761307692308,null,null,166.429,345.211472627034,"MS2",0,0,57980.5293248567,143771.974697616,13648.223146867,35230.1010833252,1487132.64854143,562181.741192796,1468571.36804517,1107121.62739286,2004999.6735851,1434201.3737313,3286962.76941666,9064991.93901759,7759151.12082292,1397113.76601005,2689562.19964694,15340282.8941672,11887573.9725826,5917398.38166142,22977437.2349941,10309235.0758961,74765647.0808851,15803.1428976303,8038.58017726378,6679.17625382543,6516.29397166893,78183.0594865808,93422.2758278484,43389.8797703841,181738.952785663,27056.169494154,6763.89761950211,593278.613905334,505391.59112754,36274.5740460591,0,0,10212.0454249978,25320.0632554639,70470.7044496812,221198.653054122,35253.7365015611,21464.8737256527,110147.469743666,138671.125059548,1233688.36478748]
["(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl nonanoate",0.889645461538461,null,null,326.255,363.327860681442,"MS2",3931581.39902507,9341268.76494362,2008204.75084821,8783066.11128077,4667207.75313072,4775584.80465298,4852217.47943046,5433939.11056959,4550328.57291283,3721113.28482677,5222390.68915625,4980887.08917709,4435091.94924291,4570814.55244165,1742361.09695552,2893618.91239792,3213149.62153202,2977370.75954677,2068460.68168195,4923472.34815084,4145072.15833394,4722957.06877979,2705955.62778288,3491322.43263628,3930519.64125995,5190242.76690283,4659593.36924511,4637294.6443537,3341845.94840778,1648329.62653125,6560242.32199846,4826964.99900903,2492367.89379101,4579866.17847896,5914655.62702662,5127583.87229588,3423805.91567289,3196881.76196445,5388925.43598918,4643961.33140623,3909588.13445261,2863197.91004465,3433169.7367478,3719294.021749,2476104.80691279,5136811.87903393,5580878.47719506]
["m-Xylene",0.889490076923077,null,null,376.7,107.084998653929,"MS2",4800760.32948749,4800205.95703386,6493389.88571934,7339368.43383068,5299651.29019165,4712485.08727026,5305891.53342858,5913494.21792597,11859340.953355,4723630.08308334,5006695.81753206,4996144.8777516,4852602.55422025,6308528.48964248,5423740.257375,5674742.06564404,5092323.82083089,4588045.22086992,5381545.985625,5480092.02278573,5628869.22365767,6079124.18414731,7524818.86080321,4751664.83301892,4689233.43023148,4475245.25735765,5049309.34941697,4603169.22354513,5041276.10059261,5119847.45647642,5285952.15337677,5086411.82519994,5022299.67609759,4800197.47348634,5443272.18110652,4852601.01594491,5187019.22589837,4873428.7981842,4580704.54006542,4509122.50779519,5130010.17369223,5428042.59130141,4680796.98772862,5122372.87187995,4960415.06778663,4337802.67050001,5548153.76991365]
["3',5'-Cyclic GMP",0.889338842860493,null,null,110.3785,345.043339990965,"metDNA",3124441.96227604,2780363.93630517,671451.746470985,1151336.97339861,404040.328959786,2742331.51734972,438803.01901136,2831205.11275768,439159.138076538,4634192.25321813,343814.515931131,527508.827484824,708740.420070855,998817.617584131,771400.277309016,3181366.6125518,669373.819316988,529159.366228229,1074651.32305676,864175.968358042,1310551.66195676,701055.815399141,495586.796190698,2877906.63089001,2794059.11569016,2715614.4413601,64745.6247924107,2835893.32846439,195660.877703447,2887984.82847937,2499547.57722665,2598810.08667565,2703021.89161893,2650430.14416718,606624.789664353,2527186.74579384,2857742.25850952,2710488.57748461,2855009.38117883,2511966.75591169,2988029.8675744,2454297.522414,2729959.33375567,2589763.73602591,184713.861547898,2493200.14449522,2365620.205804]
["Thiabendazole",0.889322846153846,null,null,177.975,202.04345145429,"MS2",62307808.4206552,56191029.2895539,74467688.0694518,73908822.1332081,66210985.6441208,63832104.2268726,77394976.2262749,83010511.1784374,76932237.7229265,83169070.5022377,76644515.7608803,78044501.1445881,78480615.4970013,80350743.6817022,78796103.0893502,85867640.9919437,82319668.5397822,75810505.6613246,84887529.2252853,77976502.2336254,69113820.4626938,77459938.9769664,71958777.5607184,86954818.6614826,88367226.1268106,83666432.1181391,83601343.7973679,83222843.9152242,80586094.6964994,81164477.6261649,84622549.7265877,83109048.9770075,84936229.149563,85699776.4597366,86731246.3762939,82407222.1720331,82321872.3980159,79047245.180504,87266417.7723642,83736814.2327215,85790598.2781199,85372127.709184,83432146.7540118,82956199.0684692,85889132.6821355,83433784.1597324,83884300.2217978]
["Adenosine-3'-monophosphate",0.888580769230769,null,null,62.25775,346.055204603166,"MS2",0,3651.23905625122,25920.8046606724,20603.1025314489,13753.0180204142,6838.02026091922,68056.4799748001,95440.27709201,329487.245202446,370407.953896311,215597.249055266,140023.091733852,418289.01461703,73841.9420910667,517993.069557834,430426.097245235,457174.666566185,695068.228879211,138489.594553742,366192.674876788,626700.587200918,132073.830336641,408278.390464286,35304385.6102629,17590732.1222209,6357164.59815275,28406091.98895,1802832.31160844,9329188.68157351,11868433.4055538,34075222.9746619,29515319.2023504,5001174.54327292,81147994.2994812,39555423.7204031,21132963.8699244,2939511.09907781,17246820.7599865,5582194.82782937,60996579.9108,7420967.75063645,58541099.83855,24851386.902801,8858082.42181484,17127842.3033719,28982549.6589934,66127860.1698302]
["3-Dimethylallyl-4-hydroxymandelic acid",0.88787464,null,null,282.896,237.104944833595,"metDNA",194830.920149218,2261020.72071201,58970495.8127974,114380885.619398,43888161.9477499,841795.618876951,188803890.463125,11676252.1564724,754809262.933774,471244112.596844,133247237.809133,162659834.902495,382996811.87252,240958756.232155,359708979.73236,290667021.378946,230322575.872169,457904381.267219,307483847.569036,219448312.034709,521105767.221232,532341139.757143,364394711.885447,2838950.36531608,32585690.4679031,9371812.09848719,23129753.3880096,13947894.5204013,19345276.7473323,93806238.2732558,3898610.8862708,19370196.7523138,37356628.3777588,19078922.0104638,59076463.2777212,29638786.3131463,2051000.45960407,6790535.16069081,3261492.73165418,10683079.4871131,120783733.973036,40337807.5320731,37387080.0902499,7371612.06347694,30090925.5467387,23101853.6253577,12469483.9398902]
["Leukotriene A4",0.887758967999999,"Argiotoxin 659","-1.61382305666172",529.5805,660.429312407797,"metDNA",1277017.74634056,1788294.50359592,2241247.08554771,2281974.31199593,2126204.649538,4589857.28714289,1250639.19765652,123617.786532283,380607.923104065,1012415.90158303,525271.750619113,538541.606894526,133967.935406923,992988.811237914,294191.680237858,81352.6967341644,1430453.97289416,26231.7990735212,0,8718.41740523917,65403.5515134037,0,126050.209484662,0,5780.84226113558,9286.63765311241,0,0,0,0,0,0,0,0,0,12288.9760366508,0,0,0,0,0,7900.84214910865,0,6770.87052228621,0,0,0]
["Aminoacetaldehyde",0.886921413333406,"L-2,4-Diaminobutanoate","1.73413799115189",377.228,119.081681356956,"metDNA",927095.78774804,44798887.2690416,959695.605072113,53357319.225541,39288092.7693392,843128.542748238,737468.541000506,919812.98082866,822259.265866069,44770908.2268016,726021.037410623,665738.285619423,750653.710466308,43778176.279682,655195.662969362,46939121.8883068,37955730.1670972,46327417.0375215,38687910.5282673,38686106.2937906,59618887.2960205,42244651.6736965,899582.590446435,32804111.4833069,41991287.2549281,915625.879550905,37393362.3556746,826802.727580768,793132.902482141,966375.372577475,864100.573646734,704550.812133123,880355.685857143,34329402.3460737,1045995.33079749,1044450.71189894,37570818.8940685,781438.794382815,1051626.56623763,779983.651759377,934105.71029206,39044538.8490524,18711688.8602506,654672.25219457,24593179.6920145,32782354.4949532,859686.850884324]
["Leucyl-Tyrosine",0.886861461538462,null,null,142.634,295.149475215381,"MS2",32382.3411265832,14191.2246388793,16271.695382162,25428.0219567805,23941.5061515775,30285.4377503872,31220.0333263576,491049.105882335,187234.393300415,235027.295511295,929886.97575781,281425.713442373,986399.056260462,291500.422059417,246778.246997037,127893.858696878,234876.127342391,201312.144152221,606521.009717664,480180.685098215,616386.977186553,246544.406828125,573838.14261036,30111.3447024178,24192.2035027319,33461.0214111894,15915.4276753435,21380.6601468808,17160.7313769336,29907.8897143977,0,12011.9557815484,6934.66901239982,11196.1264552402,29178.4452267953,31165.9121654133,36336.8713490407,12228.8432191353,21553.8245850786,12010.3729535739,397349.212651665,10783.4784488929,5880.889055791,42848.5794297606,20792.6476670305,0,5757.8227570332]
["Deoxyinosine",0.886843230769231,null,null,140.671,251.078151785846,"MS2",65641.3419026194,143594.182726879,388112.74499094,249342.923316484,321519.091581854,350885.390864563,76204.2858405273,2695063.16947357,181114.59249485,566993.373663086,1619199.46772526,71251.2495617188,203705.073417279,2596754.64992313,472113.728368985,165675.678157715,379988.067927156,118489.625114103,169476.786077251,2730420.59562485,185871.281892335,51214.8357127075,1598577.00199459,288934.675191965,3688443.65190895,1004727.82932175,1323545.86248555,80981.9602386719,3642800.52078059,4202936.95186426,501871.025619575,4984823.82711378,691969.76397029,1477912.76214529,14700509.2807326,3653974.40778416,732313.757993303,777962.127385045,2171602.43573148,6325948.65079726,2040630.27906187,19958920.8107489,5568009.17295716,5829532.46757739,6590115.46339591,3623862.23004453,9315615.6468586]
["Valyl-Proline",0.886456,null,null,148.4805,215.13805370598,"MS2",1007637.9985228,624968.70617284,6373249.74009953,4772053.01338719,808714.583485801,975038.8117602,20986876.7905958,4582748.95709115,53595963.8601816,21849729.302574,21849892.5338594,13964374.0776593,16221154.3756552,10436030.8198055,18604451.1428312,3295837.59848764,27341780.3564952,8114993.01152678,35634346.2599718,32153767.487789,7635760.02345493,24983459.7768359,11192660.1928892,865977.760038095,770990.748608239,599443.03551202,656033.601549405,89678.0720770474,688816.586354179,738593.514636721,841364.829205121,155528.260440023,546398.437414741,832187.009392053,904304.416619287,219498.308075893,704361.940151718,584132.12092189,777351.748570879,802407.323285818,849250.493789368,256214.380348437,828548.716007527,1600414.07454687,668796.875468914,547401.435504071,708355.051103664]
["Leu Asn Leu",0.886070615384615,null,null,208.8405,359.226909569717,"MS2",0,0,555918.219862028,1185218.1931996,148716.124680484,66389.6034134581,6260102.0152582,5274445.01661243,8853080.97086442,3498953.01174468,5547498.0370954,3966522.60782959,10430711.6724525,12861742.3846369,12615375.1393775,3002458.59517781,6092404.95958101,8678474.69502033,5499656.8248423,8058291.43258224,11278464.3801252,7174701.10357402,7054213.54341406,0,11271.0902736962,0,0,0,14913.4017737865,47276.6194333345,0,0,0,0,131401.994434375,0,5954.72691859777,0,0,4747.85515941307,127717.371421558,20615.7302273631,42626.2518364103,13107.3863649666,29688.9743464516,5343.77852294594,0]
["Ala Leu Leu",0.885686,null,null,212.589,316.221468468035,"MS2",11852.0415387902,20543.7458832065,704568.313550609,1599578.59772438,402789.809237348,245203.868075609,5409608.60521944,3521673.44832031,1920753.61920044,2561940.17773788,6199595.92726332,2149379.74464518,18280939.9827392,19235066.8948509,6256341.99890913,2254778.42712926,5965462.61136159,61789081.7863095,11737967.2101322,16121838.671353,35023598.458677,10928567.3008333,27302866.0897841,0,0,0,0,5346.54794870421,5351.23959196674,54619.2194456637,12904.7147367133,0,5097.72533216554,5189.03979208469,16598.1670770645,10645.7768568099,5544.09701239533,0,4391.03971655667,10638.3149066091,74208.0910506186,31947.0672974719,6765.34733098124,15782.9512385554,5342.1055317084,5308.43377453477,6809.11148813977]
["Phe Trp",0.885402153846154,null,null,229.289,352.163719049138,"MS2",8061.93191362381,6259.93459479332,49406.4277503714,95982.2567423821,14660.9330094109,11526.6504135275,1928496.42232847,11601.9401634407,1545206.45785938,554374.983955732,637064.495611865,1706196.85427664,5222215.91425323,4863104.63131748,8150895.17127171,697682.125552343,2156057.59949448,3020774.16794531,1896735.15984954,1402737.36719846,7949635.95835937,3577177.8466386,5280032.91416993,5841.04196456671,21539.6044846725,0,0,8257.42185506846,6903.86912170172,0,8053.22780871391,5688.82447294022,0,0,7045.08356647193,0,0,6008.3204069597,7969.00490795016,0,0,6991.99257372379,6134.01739603043,10827.4236754704,14299.271633116,0,7919.08892157798]
["3-hydroxy-hexadecanoic acid",0.885334230769231,null,null,387.492,271.227479273831,"MS2",11484024.3161693,6331604.50120499,9787913.4059848,5685510.98095118,4067305.88252735,12140759.1111182,40302549.816,39017175.9360264,50094264.1400816,53050906.6045609,24740509.3148573,56730395.9917543,14467769.5681289,75389598.2508012,70141356.7649774,12904676.9142223,84371156.6925098,74957738.9738482,11649497.5877292,4829675.60550988,44476742.5996188,8482538.34240007,6237437.57494566,3449686.85099999,5613638.06605447,9627301.34754086,10227711.85452,6569464.68155386,10429090.3798407,15615478.7280226,18594124.42492,6938117.36167936,3666638.83869999,6034713.46264795,7631086.91066175,4360809.64585417,18933147.8369197,6205061.94271922,4595650.86865387,14648209.6242857,6681479.23101138,7188647.14418661,23782025.1128258,4753933.0796125,27344241.4262297,9933301.96370967,3736134.3847552]
["LARIXOL ACETATE",0.885249076923077,null,null,509.6275,349.27176799563,"MS2",0,0,0,0,0,0,12437517.1983989,243732.847302675,5476834.42303294,30251590.8412904,22533636.8355733,3848561.00375944,11506565.1190539,8427858.20515725,12142921.0427426,2780330.01352737,11623802.1683437,21727003.2576198,1548454.06783945,4117888.34783792,19747876.8574543,5207742.33671231,12078054.8561074,0,3448426.29198194,249477.355842618,130509.405545495,0,119620.670769797,32588.2184518825,0,888117.881099773,3370940.11469451,96412.9804824286,3826503.37281856,618486.825537127,0,0,0,660879.519575391,288181.776897669,0,2320579.6612702,219623.236191971,309076.380469367,80346.6414610563,0]
["Polyneuridine aldehyde",0.884691141110169,null,null,247.451,372.140725105677,"metDNA",0,0,0,0,0,0,821957.448672308,2245457.78932618,5479110.61375001,3217671.78257656,628322.505103735,1083939.46303178,713899.807737214,17570.9251123667,1743272.39956395,1275803.42103906,451548.063970108,0,1589945.85464423,7915408.63089066,569538.739033333,4385597.0732041,6265565.69231667,0,18493.8029543102,0,3906.35750240386,0,0,182177.205258333,0,1092718.55595,1400883.32708789,30974.0867812276,8621.38926964626,0,2872.51704829435,16182.9810227995,0,0,20421.2023688257,203198.865187498,68774.3840589964,117068.730109131,64636.9799048712,5185.95674376355,435902.064631079]
["2,4-dimethylphenylformamid",0.884563153846154,null,null,633.998,150.090753499385,"MS2",2075842.82893748,11986678.4365133,11982612.4906519,16912566.4814943,39501828.6298586,31495582.935512,36238212.7580876,36787122.9778822,12210368.9392383,29690914.6654672,18435937.9680026,21714603.5930193,30540047.6760433,8875703.33767709,14772036.0868315,12157515.2278124,6288060.96397909,27315881.9085476,21415831.7980958,16692712.2985086,8527252.23006144,18101526.0242917,18622607.9435626,30909294.9214886,31439757.8872987,13011626.0935592,14123932.8917142,10801014.559382,15296731.3671562,10691672.6876624,15639651.2253134,1120587.66062493,16917462.2996592,9367594.83502641,9962538.00143275,9353238.71880526,27853544.3654113,10008659.0532137,15642228.4650345,26505530.9980344,38523309.4908856,13026299.0438051,36820828.2859081,17032249.2448696,9674456.82873101,20844818.2403492,34072263.7044214]
["N-Acetyl-D-mannosamine 6-phosphate",0.884181243831267,"Salicin 6-phosphate","-10.5771622053645",228.204,367.075004601308,"metDNA",0,0,0,0,0,0,0,6219.83139868294,0,0,0,6948.06737226248,6084.98789319992,0,6482.69478506261,0,13386.2679934246,9859.90939872683,0,0,21684.3386307175,4900.95049340797,0,26005.0556980438,499813.840661589,118835.444476865,99363.4077458084,0,7462.70807771172,1791200.17842333,917184.792101649,112793.210343974,30892.5141089062,263282.677011063,1427874.721343,559162.136005563,0,56481.0863580549,205115.673575893,267018.296156354,233834.716933478,307463.000791839,821859.285185185,465769.751641989,1017292.62454987,344722.702497302,621399.375883929]
["Adifoline",0.881121923076923,null,null,350.1865,425.133735942605,"MS2",18356799.8166429,18758095.7408456,11421530.2187048,8610695.94206246,11034539.7592445,17401728.2641174,2563016.44965448,12427939.2619372,817770.938774073,453707.661164466,5450310.45525272,4415547.31318761,1415806.47691431,1891242.07700097,914934.707049372,1313159.77615179,1681007.70020413,1022442.66509606,1316796.85461322,2445852.95216741,1256017.98421931,696890.672158562,657052.655273109,19696463.541937,15344034.3183214,13952763.9684643,14910391.487798,14399432.6621786,11572557.7541786,7190119.64500229,19477285.978465,11952253.5628915,9971491.86811608,14014170.301741,9500925.0135786,14252185.3358444,19582948.6687048,14917790.9089242,18863337.1203135,11952138.7328919,6318896.38967806,12044085.3775338,6438587.32167837,13162552.8943073,7546608.65951469,10786019.2704643,13589050.1377677]
["2,4-Dihydroxyhept-2-enedioate",0.844021734,null,null,466.664,209.045206165391,"metDNA",2882273.90749375,2169675.53334029,3536476.74094924,3306854.59040964,3297106.45496171,4130840.28720488,3235316.58556852,3298403.49622421,2819745.47273724,3225133.0488996,2880946.85249809,3312224.68249245,3296379.94805972,3078850.73051686,3072108.39721802,4027017.11171505,3093731.51256015,3504457.0911383,3518702.14151876,3394895.89796658,3254993.1403547,3233644.04602038,3427796.67540906,2884118.34132552,3196826.65694335,4987577.90170785,5180932.82747639,2032347.58332985,3628128.13730882,3581626.40891336,3665611.55731535,3356075.52578166,3406766.66691602,3597724.44920152,3214228.87038689,3301502.30940984,3359419.22571438,313842.552656265,715472.820999994,3421186.25292457,3499759.34081702,3388820.80224803,3588344.81795298,1497081.11384615,3202501.8513986,3342340.99343083,3148641.16119753]
["(S)-Malate",0.808013599998719,null,null,296.601,168.988857754601,"metDNA",115193.909764588,62395.699974671,61004.6196878497,28014.8616176844,41793.9311561339,97276.6121935194,0,51410.3188130154,48758.3823976517,0,21001.0824003991,0,0,28975.4598956485,44910.2991512523,0,0,46924.4448251724,5246.54340455749,32099.7066272423,0,0,0,99394.5555506782,106782.795863281,122691.180339292,62719.2823169082,74887.0888131671,63251.8686365411,49657.7435962359,67973.0434311889,72496.9827456474,122197.994261573,70885.2992103875,126636.575733073,94404.7117807735,103839.409729849,114239.005080337,71147.6451956406,84623.6529506743,3791622.65456744,92281.485214285,143092.438473215,117702.146880837,436679.638229786,100483.348087881,79007.8585676376]
["sn-Glycero-3-phospho-1-inositol",0.74303447991266,"Pipobroman","8.07670766983156",282.896,355.049799145688,"metDNA",55986.0249269911,768880.277642514,8649679.66618824,10125789.845209,7531095.57060487,242068.054090723,6372329.47806912,3034420.56757301,1379189.49408351,2758420.37836956,8889304.30850288,11744305.1673521,4797054.02224779,5331248.82625261,6980971.01079299,4669952.71789782,9694160.19527609,172029.39672788,5187708.1225371,8896928.84124866,474766.943340993,2280376.00924506,2879274.0822125,1049554.24037614,6179789.20973958,3022291.63087121,5339214.31980529,3955479.95021443,4739043.94681442,9124656.38349107,1325676.0444621,4787365.75948968,6522138.20003973,4603921.65976089,7807802.70476271,6110929.10322556,808504.012127483,2213874.74667248,1040904.23477562,3114267.33251495,10529790.3115169,6550091.43924896,7108579.41976057,2290945.72000381,6211592.48451086,4803466.86310412,3130453.19108872]
["Tebuconazole",0.703361461538461,null,null,230.711,306.137535376708,"MS2",384704.94478125,278537.310185649,266959.847702435,356353.697893555,114715.84636466,0,1267124.16770759,300067.450061408,22459218.4820825,1442062.99041669,1901775.09042161,134911.962626343,3071092.86209194,1290453.47393962,323290.167077896,1565471.18185714,2979088.80129617,15840315.2188125,3366787.0209111,4483965.43206881,1909047.54011871,5235869.02358971,10698073.7205582,102353.099681518,3489887.93321652,229072.717227323,367360.860260176,13768.3122316777,2455.93965160797,6080943.84732052,0,147112.874035156,1042934.30393555,509264.673927538,652060.500681914,0,0,471238.66212619,0,266546.831328999,1505771.63013114,663790.366165177,275418.691832853,120530.155032031,23802.884359053,235477.294331909,663082.867619965]
["1-L-Leucyl-L-Proline",0.676995230769231,null,null,172.293,229.153658144645,"MS2",639782.495924356,760101.942500955,23302704.2374875,21263068.6845899,3862694.3902947,1831478.00068492,106211240.909606,19061435.6727934,224323516.173078,74705517.0789274,118824996.366462,74377249.2098095,60241473.4832649,43796168.217184,80353476.9203947,14391478.4279177,121068420.896881,30882082.2685823,80278543.340523,100582470.71332,23594335.2015187,73941917.5517692,31660373.0714625,1155242.59745483,2583875.11852827,1358853.32505723,1090156.00116067,1290739.8456836,2251657.49524219,3118487.28193398,2142484.26820312,985012.728292702,1490527.81747201,2022999.46913646,4480658.26881185,1778514.68026541,1320113.25823463,949189.17483902,1276350.68034738,986232.255842061,3155698.66771142,1363265.76559541,4362538.55138891,5822545.26912076,1610844.01378816,1023290.04064677,326731.95238281]
["Phenylacetaldehyde",0.633166615384615,null,null,34.3474,121.064266803746,"MS2",33061013.8800241,39517297.2839205,21950675.6632949,30246481.0613456,30076164.6472796,22665720.0400237,25364020.7891572,43085974.6256175,26411558.2217767,30157108.3726172,47543041.7483818,20433033.3970509,17792193.8650374,35329038.3172114,31166233.7561615,28315984.2937054,15757007.4692629,15563611.6249566,17701128.7593516,38665040.47859,19997946.0788394,31884870.2322718,29357990.3400632,22880390.5168152,15949363.7866892,21133717.5132298,31881657.1535362,29656556.1387309,40223067.0627905,33168255.3854561,27723428.0914429,26417262.1062417,40094568.7830109,20073161.0780474,33729556.227187,30142664.579743,38924577.0955743,22040983.2724076,14575898.8620699,397895.834583464,12410416.1027608,38661150.2917638,32134021.1554533,24745575.5856393,41133053.5930936,30843829.6491445,36984929.9058921]
["PC(6:2(3E,5E)/14:2(11E,13E))",0.576039,null,null,331.577,558.315936456728,"MS2",0,6678.75189126455,28240.4002282069,20478.6642763585,12262.1164256334,0,146434.079099159,690349.403784236,2128055.55164803,506937.852866667,841726.989488801,154479.265778248,5374388.82691961,123315.69342857,1651662.42192349,249462.578973214,484171.527039206,1167868.95361243,94032.2392860557,1596718.15279873,3609824.19535387,654407.314390699,2432371.48100764,362505.344927344,4551597.76865624,178644.659688526,698215.232903903,0,299001.206804113,1189796.80151593,1365290.3280134,4670034.17186256,7638604.06620535,241231.839399488,926479.628536419,1690283.20180778,0,101079.727838355,2815532.80319703,3660115.46375894,1698732.35848047,3192255.05920193,1742096.73030903,493646.542809675,2276281.82099602,752200.588449507,1921659.43320254]
["Testosterone glucuronide",0.428118333,null,null,285.255,485.224433522145,"metDNA",0,0,0,80888.9214065552,42165.6058153022,0,7764001.2178393,0,14298377.815375,8685207.5101071,2288175.50035739,2223338.72087501,5652600.56051786,2245102.53939333,9764641.47287833,5818310.2629031,5112283.51259662,15271171.44735,4095493.80142403,1217276.38226435,13858624.1185056,8279425.9247143,13025609.7652108,0,0,0,0,0,0,1423201.33373806,0,0,291404.062113971,0,128910.774487672,34666.7617626553,0,0,0,0,62840.756782492,0,0,0,0,0,0]
[null,null,"Epoxicozole","17.1504248112688",290.777,330.086020343459,null,8909.02606684663,0,418527.392066224,368769.648177803,1545311.69349123,0,524713.977458356,34363.3176311615,3311197.41930287,2015662.80178907,1832910.85488863,60734.1092510372,3624150.52220644,1695725.5745471,2832683.67225544,913799.397219897,130307.028773026,1412331.34990234,3425165.83146347,3307472.80589126,1363918.01866032,1281613.89130684,3147098.67537574,0,1155144.80744844,63271.7435183254,163603.829600069,548126.878747507,651543.688366677,403460.221114775,339031.691175564,299709.205907323,1598567.4361289,1517175.97928046,2056059.1759326,130220.820318829,0,895243.553517859,64459.9919198264,66077.1013166159,1348599.22656594,985507.051459169,1129238.76122065,47169.0822222937,511937.855061801,94416.8917357922,249340.121998499]
[{"$nulls":4},2.35791,111.091165546134,null,0,0,0,0,0,0,0,0,4005780.68640238,2809141.29257054,0,0,0,0,0,0,1884586.45697082,1585280.6318519,2889365.93440262,0,0,0,3707073.44808896,2217087.40823023,0,0,0,0,0,4866954.40154277,0,3103112.25606961,0,0,2824160.15285876,3337773.70038119,3385444.74778709,4699747.77834393,694213.115142857,0,1488635.71598555,2096155.50918436,0,0,3632098.08411039,0,0]
[null,null,"Aromatic aldehyde","-5.00780333050337",3.54974,107.04864556302,null,4024106.43985722,4486901.14238296,3861221.2956625,1622952.23870542,5877586.56095598,3627071.60236402,2740138.76003299,4896859.07985036,3751744.55627292,3793876.46028353,5330600.73665301,0,3192721.88348997,6178436.24549415,4280212.75967871,3631098.86062033,2138236.45105281,2643426.55305161,2813142.45696033,4617036.69051159,3424203.40118239,5887213.84305938,3955509.04488321,4293792.40801314,2212882.3937912,3875958.52132719,4986241.05547143,5423379.93342345,3582446.10522595,5498916.72271964,3649654.2967617,6011070.80877998,2208081.6399805,5251747.46697306,4549249.16110172,5599645.14095151,2847196.44066019,3732388.9117753,3831393.39069525,4889609.09703434,3474238.99629132,3104974.81257243,6450706.9332819,5145239.30782866,4580030.217075,4057733.844582,3681326.02390896]
[null,null,"N-Methyl-(R,S)-tetrahydrobenzylisoquinoline","19.8052217355843",2.79415,238.163773443984,null,2085294.47974588,1048980.57376568,1598314.66814585,929411.716336402,1784880.00992119,1824899.62465016,1780017.80545325,1123920.23411467,1256286.66328086,1721866.03899325,1102365.32734742,2466792.49596214,2122126.59354839,1582930.18657447,994889.099099238,965897.562250504,1946068.11369632,2403898.12796055,2322587.54820707,1219580.32097737,2178303.83254712,1191998.38819854,1549204.96408721,2061370.40985646,2131328.59401999,2612056.1248233,2398131.12122732,1428780.52811088,1250832.8822162,1626367.16252523,1294353.7622321,1354704.02189664,1437179.93011673,2166352.39873734,1214857.89669872,1708387.8747095,1698883.97818132,1780952.37241229,1881566.6047242,2454529.76298296,1892507.70119059,1195223.32912597,1571995.97866461,2223995.42197796,1066311.21551843,1188714.43199067,1278171.41264686]
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[null,null,"[2-(Dimethoxymethyl)-1-heptenyl]benzene","-4.520860659362",428.601,249.183784623516,null,459041.334693552,535901.144355301,475016.189051541,858147.771805842,604375.735850862,427792.01065144,452799.509230528,471304.095001953,688059.34217613,536242.837580357,402900.804995476,537613.509294642,441973.710760671,574868.276834232,444464.632882862,315639.155085596,335598.881202696,449717.979300687,357851.902085877,740081.615920265,466681.580606256,672380.366574578,520514.077552586,378522.376908093,430187.625643567,407420.807697222,544575.994640211,362946.375003271,549381.161285789,410333.610649214,496700.612522437,337519.581593302,563601.764024182,244507.374091045,540604.866485884,487085.65387793,534067.226959725,444742.993557552,226628.335710937,409005.131951172,356514.633156385,511420.817919374,649893.592142491,433445.759195477,494026.898082665,310442.089409831,347703.296223213]
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[null,null,"Stigmatellin Y","-15.041485589549",223.3185,485.282492271755,null,0,0,5952.8702363348,0,0,0,785049.405314455,5337.50960717082,13412795.182532,110015.978620329,121091.281830379,228953.452414497,6029.38291803113,603662.326845704,1843094.57821499,3569096.78544407,395748.434772322,396166.905569532,1277054.54587374,0,4518310.84053044,4357608.89954019,737136.211969638,0,0,0,0,0,0,0,0,0,28681.0793681943,0,0,4991.62880957007,0,0,9537.37371145487,0,6111.01779851913,0,0,0,0,0,13023.7774604285]
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