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{"sheet":"detected compounds","index":0,"n_rows":289,"n_cols":10,"rows_kept":289,"cut":false,"hidden":false,"merged":[]}
["Compound","Experiment","p","p.adjust","q","log2FC","Control_CV","Confirmed by MS/MS*",null,"*For ESI-MS only."]
["L-Histidine","ESI-MS",1.47766297663571E-006,0.000322130528906585,0.000129554859388337,1.17250374254342,21.2586817960818,"yes",null,"+Fatty acid double bond positions unverified."]
["Cholesta-8,24-dien-3-ol, (3ß,5a)-","GC-MS",5.08562470854999E-006,0.000371250603724149,0.000148134929221982,-1.45558307065289,13.0647686415116,"-"]
["PI(16:1(9Z)/12:0)","ESI-MS",1.44239722008749E-005,0.00157221296989536,0.000632314580473625,-0.566065025877603,6.74254177892886,"yes+"]
["PA(16:0/18:1(9Z))","ESI-MS",4.46139237060556E-005,0.00324194512264004,0.00130384954798909,-0.615578790275261,9.35939566233363,"yes+"]
["C16 Sphinganine","ESI-MS",0.000120540354726766,0.00656944933260875,0.00264210935683077,2.94269220086565,35.3092361588724,"yes"]
["(20S)-24-Hydroxy-19-norgeminivitamin D3;(20R)-24-Hydroxy-19-norgeminivitamin D3","ESI-MS",0.00056143385614612,0.00726623538920085,0.00292234364537199,-1.72120222621133,25.6122329006876,"yes"]
["[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE","ESI-MS",0.000578682488215845,0.00726623538920085,0.00292234364537199,-0.650521962205829,13.2190842998907,"yes"]
["1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine","ESI-MS",0.00030901939887333,0.00726623538920085,0.00292234364537199,-0.561312457004486,5.62172353593039,"yes+"]
["2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID","ESI-MS",0.000306383168442411,0.00726623538920085,0.00292234364537199,-0.584651064559337,11.1774777372285,"yes"]
["4-CHLOROTHREONINE","ESI-MS",0.000599964389934015,0.00726623538920085,0.00292234364537199,-0.510250182827509,10.0789866803527,"yes"]
["Adenosine","ESI-MS",0.000506298732941994,0.00726623538920085,0.00292234364537199,-2.46246448158578,30.612923995008,"yes"]
["Dihydroceramide","ESI-MS",0.000454202922536877,0.00726623538920085,0.00292234364537199,3.69838585012479,35.3092361588724,"yes"]
["LysoPC(18:4(6Z,9Z,12Z,15Z))","ESI-MS",0.000184810060906799,0.00726623538920085,0.00292234364537199,-0.72979517962748,13.0788357637068,"yes+"]
["Orotidine","ESI-MS",0.000459798492330893,0.00726623538920085,0.00292234364537199,-0.385063519698671,8.6186695685494,"yes"]
["PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)","ESI-MS",0.000279002923390412,0.00726623538920085,0.00292234364537199,-0.564763345844821,5.99912418838598,"yes+"]
["Phytosphingosine","ESI-MS",0.000241778590357177,0.00726623538920085,0.00292234364537199,4.54135381360453,35.3092361588724,"yes"]
["PI(14:0/12:0)","ESI-MS",0.00055272769431316,0.00726623538920085,0.00292234364537199,-0.656849090043966,13.2351809105112,"yes"]
["PI(16:1(9Z)/16:1(9Z))","ESI-MS",0.000402146444209329,0.00726623538920085,0.00292234364537199,-0.402229584503569,2.69548460548533,"yes+"]
["Sphinganine","ESI-MS",0.000351164274456202,0.00726623538920085,0.00292234364537199,4.16285537759626,35.3092361588724,"yes"]
["Adenine","GC-MS",0.00086396139520998,0.00858866888349198,0.00342701626449736,2.94097905135409,35.3332064123602,"-"]
["L-Alanine","GC-MS",0.000678944390083622,0.00858866888349198,0.00342701626449736,2.57775310653923,30.0624602155632,"-"]
["L-Asparagine","GC-MS",0.000593316867077299,0.00858866888349198,0.00342701626449736,2.42261587892856,31.2649215467091,"-"]
["L-Threonine","GC-MS",0.000941223987231997,0.00858866888349198,0.00342701626449736,1.87192793307275,30.2609574084722,"-"]
["L-Valine","GC-MS",0.00057578778990697,0.00858866888349198,0.00342701626449736,2.43056537582451,29.0468675824713,"-"]
["Lanosterol","GC-MS",0.00091766098845992,0.00858866888349198,0.00342701626449736,1.71922076197945,17.4538625868174,"-"]
["Squalene","GC-MS",0.000813406297898348,0.00858866888349198,0.00342701626449736,2.59860371675709,9.58747590711984,"-"]
["Aminoimidazole ribotide","ESI-MS",0.000749109013861755,0.00859504026430856,0.00345676405356323,1.24572450813707,55.1232384892915,"no"]
["PA(14:1(9Z)/14:0)","ESI-MS",0.000952572515765965,0.010121597604279,0.00407071679563774,-0.780100722722777,15.9505501217561,"yes+"]
["PA(16:1(9Z)/16:0)","ESI-MS",0.00102144562978963,0.010121597604279,0.00407071679563774,-0.330097392920732,8.6458523686571,"yes+"]
["PI(18:1(9Z)/16:1(9Z))","ESI-MS",0.000990238199334954,0.010121597604279,0.00407071679563774,-0.38295090767678,9.35662608565487,"yes+"]
["L-Aspartic acid","GC-MS",0.0012483393619147,0.0101254192688637,0.00404020424933911,2.25508295212651,33.6102154527646,"-"]
["PS(20:1(11Z)/16:1(9Z))","ESI-MS",0.00109173752328337,0.0103477730467728,0.00416168031824714,-0.641181898911073,15.0706939450456,"yes+"]
["5-Methylcytidine","ESI-MS",0.00124757215637078,0.0110832020906816,0.00445745609180423,2.48003183320875,38.4178980463575,"yes+"]
["PA(16:0/18:2(9Z,12Z))","ESI-MS",0.00127100941406899,0.0110832020906816,0.00445745609180423,-0.470697485167362,12.0759698251097,"yes+"]
["PC(18:4(6Z,9Z,12Z,15Z)/14:0)","ESI-MS",0.00170585732068631,0.0143029575349853,0.00575238136718092,-0.275821050333584,5.75859626964786,"yes+"]
["Glycine","GC-MS",0.00198276329807866,0.0144741720759742,0.00577542617981675,1.34443511829178,27.5227127916749,"-"]
["L-Serine","GC-MS",0.00220318502457507,0.0146211369812709,0.00583406752780611,1.60892595607095,29.6870214288336,"-"]
["1-Tetradecanol","GC-MS",0.00265377709844959,0.016143810682235,0.00644163869040571,0.438007565956664,11.7120036525498,"-"]
["PA(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z))","ESI-MS",0.00212864256637716,0.0165730028382221,0.00666535102908868,-0.367604241119232,8.67789279693723,"yes+"]
["PI(16:0/14:0)","ESI-MS",0.00209638399387564,0.0165730028382221,0.00666535102908868,0.307805389452173,10.1034372370537,"yes"]
["PS(16:1(9Z)/16:0)","ESI-MS",0.00235712016384272,0.0177190412316452,0.00712626618487207,-0.36929677741805,9.08568530688221,"yes+"]
["L-Tyrosine","GC-MS",0.00424096098709641,0.0238146270813876,0.0095024171321496,1.43109781669664,31.4362198634044,"-"]
["Cystathionine","GC-MS",0.00469416561454088,0.0244767207043917,0.00976660307824149,4.25867064025921,41.6071113441661,"-"]
["D-2-Aminobutyric acid","GC-MS",0.0057940659690723,0.0281977877161519,0.0112513683362312,1.38530426666063,27.5545573441796,"-"]
["Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1)","GC-MS",0.00639365367461435,0.029171044890428,0.0116397135164947,0.345811177134506,10.8793239246645,"-"]
["L-5-Oxoproline","GC-MS",0.0068446734720503,0.0293918331446866,0.0117278115615606,1.288089362811,29.5358256406405,"-"]
["PA(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","ESI-MS",0.00443261872373911,0.0313812320023658,0.0126209431726301,-0.518586975018176,14.3571416654528,"yes+"]
["PI(16:0/12:0)","ESI-MS",0.00446246877097862,0.0313812320023658,0.0126209431726301,-0.191215040366861,6.32113457164842,"yes"]
["Malic acid","GC-MS",0.00812493188593567,0.0329511126485169,0.0131480210160156,1.42857251486806,33.18576911111,"-"]
["Homoserine","GC-MS",0.00893238401266074,0.0343191596275913,0.0136938936432507,2.71745380194094,41.6071113441661,"-"]
["L-Glutamine","GC-MS",0.00990612397484971,0.0361573525082014,0.0144273620054136,1.57947147715695,41.8070561586657,"-"]
["PS(15:0/22:2(13Z,16Z))","ESI-MS",0.00538073031209664,0.0366562252511584,0.0147424465611523,-0.501968927414005,14.2163962082765,"no"]
["Inosine","GC-MS",0.0106056799159051,0.036867363517194,0.0147106677549771,1.43528032824755,40.1249465487984,"-"]
["PC(20:4(5Z,8Z,11Z,14Z)/0:0)","ESI-MS",0.00661067723931053,0.0436705344899907,0.0175634702319847,-0.556348527279601,18.6624092755947,"no"]
["PA(16:1(9Z)/14:0)","ESI-MS",0.00747049731217013,0.0478990710015614,0.0192641083398799,-0.409399411575826,14.6525451881915,"yes+"]
["Urea","GC-MS",0.0149213146285661,0.0495116349038783,0.0197559342896054,-1.67680661129838,47.6763164186504,"-"]
["L-Isoleucine","GC-MS",0.0161235601841039,0.0511747779756341,0.0204195549780276,1.0687981980823,26.5681440068294,"-"]
["Ergosterol","GC-MS",0.018039498374966,0.0548701408905216,0.0218940638902155,-0.299718255951924,11.8303977196656,"-"]
["PS(18:0/18:1(9Z))","ESI-MS",0.00904666817927416,0.0563478189451933,0.0226620363647712,-0.686859191909458,23.4805131075919,"yes+"]
["LysoPE(16:1(9Z)/0:0)","ESI-MS",0.00956379848860356,0.0579141130698771,0.0232919704966679,-1.29350439373197,36.7217965342366,"no"]
["1-Monopalmitin","GC-MS",0.020265252741746,0.0591745380058983,0.0236115871902002,0.827215492020437,13.5147310941532,"-"]
["L-VALINOL","ESI-MS",0.0106705542411873,0.0612152848573377,0.0246196398988599,-0.697919824113863,24.4005178655709,"yes"]
["PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)","ESI-MS",0.0105300387835794,0.0612152848573377,0.0246196398988599,-0.700353717330262,24.6326139257637]
["BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE","ESI-MS",0.0110361788342686,0.0613674479124052,0.0246808370268387,-1.35297955465525,38.649748667793,"no"]
["PA(18:1(9Z)/14:1(9Z))","ESI-MS",0.0112600821857624,0.0613674479124052,0.0246808370268387,-0.42749550575147,16.7459075304843,"yes+"]
["PE(18:1(9Z)/0:0)","ESI-MS",0.0120538492056671,0.0640911982154983,0.0257762783335784,-0.534212437822794,19.9960514459028,"yes+"]
["Myristic acid","GC-MS",0.0236369987760451,0.0663654196404345,0.0264808639840695,0.341518789840044,11.3422627362045,"-"]
["Diethylene glycol","GC-MS",0.0290890200469273,0.075839230836632,0.0302610661896231,0.950553315007267,37.5379443689672,"-"]
["L-Methionine","GC-MS",0.0283607026188181,0.075839230836632,0.0302610661896231,0.943808609564886,29.5231880724088,"-"]
["DG(12:0/18:3(9Z,12Z,15Z)/0:0)[iso2]","ESI-MS",0.0146339244103011,0.0759570362248961,0.0305484959189477,-1.02161616357367,19.0733053711757,"yes+"]
["Palmitic acid","GC-MS",0.0305978058231454,0.0770220629341246,0.030733035116504,-0.345023601737113,14.299175173922,"-"]
["OLOMOUCINE","ESI-MS",0.0191763726086764,0.0972197495044524,0.0390999605643439,-0.157867966372371,5.70996739317324,"no"]
["(9E)-Octadecenoic acid","ESI-MS",0.0200229308361731,0.0992045209610395,0.039898198433474,0.56212440388093,25.5276909325846,"yes"]
["L-Lysine","GC-MS",0.0444002764903995,0.108040672793305,0.0431099566082416,1.010257671481,27.8519089247781,"-"]
["1-Monooleoylglycerol","GC-MS",0.0487810684875816,0.114871548373982,0.0458355852281472,-0.600187848182478,21.912721784182,"-"]
["Arbutin","ESI-MS",0.0249273745885325,0.115620588517023,0.0465004330342859,-0.310151312361487,9.73076452045116,"no"]
["PS(P-16:0/18:1(9Z))","ESI-MS",0.0248279679471515,0.115620588517023,0.0465004330342859,-0.733488314434551,31.30656422273,"no"]
["TG(20:0/20:3(8Z,11Z,14Z)/21:0)[iso6]","ESI-MS",0.0241947153806331,0.115620588517023,0.0465004330342859,-1.10499236090995,22.1201928825596,"no"]
["Glutathione","ESI-MS",0.0263186057096947,0.117090939688029,0.0470917807089623,0.530090430698505,35.3205679771804,"yes"]
["LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)","ESI-MS",0.025993247712211,0.117090939688029,0.0470917807089623,-0.374011382831963,18.0450990292798,"no"]
["Diisooctyl phthalate","GC-MS",0.051978747630054,0.118576518031061,0.0473139273841338,-0.495454607774466,16.2289912172557,"-"]
["CerP(d18:1/24:1(15Z))","ESI-MS",0.0287716581638701,0.12061964384084,0.0485109593626968,-2.10406622764954,61.9412191877081,"no"]
["PE(16:1(9Z)/16:0)","ESI-MS",0.0286205561380608,0.12061964384084,0.0485109593626968,-0.498221989103878,17.3782855379334,"yes+"]
["TG(16:1(9Z)/17:2(9Z,12Z)/17:2(9Z,12Z))[iso3]","ESI-MS",0.0287341337243005,0.12061964384084,0.0485109593626968,2.57828084019599,35.3092361588724,"no"]
["Guanosine","GC-MS",0.0609479437300216,0.134824239160351,0.0537970280050132,1.18918243255637,52.1908248085759,"-"]
["Glucuronosyletoposide","ESI-MS",0.0328557263695403,0.13514242167094,0.0543517483313581,-2.57269454376352,69.7261349460017,"no"]
["PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:1(9Z))","ESI-MS",0.0362871842035397,0.146492706599475,0.0589166201332494,-0.257891333837993,13.2065786502038,"no"]
["PS(18:1(9Z)/0:0)","ESI-MS",0.0377664284132297,0.149692388983347,0.0602034724000522,-1.57229967935264,58.3490606154425,"yes+"]
["Polygodial","ESI-MS",0.0391020904288518,0.152218852026602,0.0612195684696477,0.454873606674789,24.5699072489216,"no"]
["Equisetolic acid","ESI-MS",0.0411252261291542,0.157285952564134,0.0632574613072958,0.51709363759035,30.3453639809388,"no"]
["L-Glutamic acid","GC-MS",0.075986791373431,0.157477084796105,0.0628358757570893,1.180904310335,56.7000701170312,"-"]
["L-Phenylalanine","GC-MS",0.0751838202818183,0.157477084796105,0.0628358757570893,0.835489548446821,31.5145799463935,"-"]
["N-a-Acetyl-L-Lysine","GC-MS",0.0776599322282161,0.157477084796105,0.0628358757570893,0.86008323226519,30.5610603618285,"-"]
["Myristic acid","ESI-MS",0.0468943303295982,0.176258000204352,0.0708876631781968,0.66145749010541,35.0447962362615,"yes"]
["Palmitoleic acid","ESI-MS",0.0485255513241745,0.179297799807967,0.0721102135882798,0.479538820265059,26.9732680037084,"yes"]
["Pulvomycin","ESI-MS",0.058039329878087,0.210175427262165,0.0845286164532692,-1.86351371188628,72.5473271312764,"no"]
["Stearic acid","ESI-MS",0.0588105553348259,0.210175427262165,0.0845286164532692,0.770714084835257,30.0854184617617,"yes"]
["Adouetine Y","ESI-MS",0.0642139369876239,0.225784488117774,0.0908062880890394,0.269339543679342,17.2249382861058,"no"]
["Dodecanoic acid","GC-MS",0.114750854007293,0.226400333581957,0.0903373544839158,-0.218649032889658,11.2809719750546,"-"]
["Nodecane","GC-MS",0.120852394008054,0.232163809541788,0.0926370735815218,-0.575111094106503,28.5329967240982,"-"]
["IMIDAZOLE-PYRROLE POLYAMIDE","ESI-MS",0.0676015783067181,0.233922921759755,0.0940794135196124,-1.77421243023809,74.5551204977805,"no"]
["Gamma-Oryzanol","ESI-MS",0.0707182566166121,0.240884061600335,0.0968790534552934,-1.54648091877372,68.6425463861048,"no"]
["Phenylmethanesulfonyl fluoride","ESI-MS",0.0735456395509844,0.246660760340224,0.0992023333863061,-0.819103709538777,46.8941742199679,"no"]
["Palmitic acid","ESI-MS",0.0753328220745391,0.248826594124993,0.100073391129255,0.512857945670648,29.1663863432804,"yes"]
["Hexa(methoxymethyl)melamine","GC-MS",0.141472071953091,0.26480669878399,0.105662108528233,0.219822730543703,14.8404903781451,"-"]
["Orotic acid","GC-MS",0.151207350322108,0.275953414337847,0.110109826331421,0.724685076621327,26.3510564377946,"-"]
["2-deoxyecdysone 22-phosphate","ESI-MS",0.0902272560765283,0.289117655862817,0.116277700779037,0.925524325514798,70.9634604243252,"no"]
["DG(16:1(9Z)/18:2(9Z,12Z)/0:0)","ESI-MS",0.0915097167639191,0.289117655862817,0.116277700779037,0.262824765259167,18.8975958475578,"no"]
["2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE","ESI-MS",0.111504910579714,0.32049198964375,0.128895869616336,-1.32764078632371,63.3809904067548,"no"]
["Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside","ESI-MS",0.111731152352867,0.32049198964375,0.128895869616336,1.49211415358221,162.807171426696,"no"]
["Fumonisin C2","ESI-MS",0.105424830618995,0.32049198964375,0.128895869616336,-0.410402951325865,15.2872308794008,"no"]
["OHOOA-PA","ESI-MS",0.109795260985585,0.32049198964375,0.128895869616336,0.248318933358697,16.1864238908743,"no"]
["PC(17:1(9Z)/0:0)","ESI-MS",0.109996363027123,0.32049198964375,0.128895869616336,-0.433034034010693,29.3831619929255,"yes+"]
["PE(16:1(9Z)/15:0)","ESI-MS",0.108580915652244,0.32049198964375,0.128895869616336,-1.75245394915812,88.2663752686751,"yes+"]
["PE(20:2(11Z,14Z)/16:0)","ESI-MS",0.1043581978242,0.32049198964375,0.128895869616336,-0.454285477379353,25.2169962959959,"no"]
["Alpha-Ergocryptine","ESI-MS",0.113916323382074,0.322516344120676,0.129710027034139,0.267166957123714,13.9290726494805,"no"]
["POV-PS","ESI-MS",0.117081984005239,0.327229134783873,0.13160542308297,-0.971028663232745,55.1151256388303,"no"]
["Methyl 3-(methylthio)butanoate","ESI-MS",0.11914294232769,0.328774195284004,0.132226817449162,0.0991231463999604,7.87188943804494,"no"]
["N-Succinyl-2-amino-6-ketopimelate","ESI-MS",0.127506551112011,0.34745535178023,0.139740028355608,-1.39212603172467,81.2298861620739,"no"]
["PE(14:0/20:4(5Z,8Z,11Z,14Z))","ESI-MS",0.130573105261923,0.351418974655546,0.141334123165631,-0.594129865979921,9.90338841704941,"no"]
["N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE","ESI-MS",0.133800259753458,0.355712885686022,0.143061053679381,0.18100907125947,18.013585439011,"no"]
["Methionyl-Arginine","ESI-MS",0.136002163076215,0.357210500609817,0.143663366324285,1.11087941761856,18.8748995601823,"yes"]
["Butanedioic acid","GC-MS",0.202726336805099,0.360377348490674,0.143796326460759,-0.636232665846093,28.3402611188681,"-"]
["Cholesta-5,7-dien-3-ol, acetate, (3ß)-","GC-MS",0.207340392282306,0.360377348490674,0.143796326460759,-0.171904577120098,12.4287556987246,"-"]
["N-ornithinyl-35-aminobacteriohopane-32,33,34-triol","ESI-MS",0.146996759880917,0.381491591119523,0.153428765702786,0.167960690464851,15.1832776395249,"no"]
["PI(16:1(9Z)/16:0)","ESI-MS",0.149105436632232,0.38241159042149,0.153798772173791,-0.0927749901282987,6.92454312006504,"yes+"]
["Demethoxyfumitremorgin C","ESI-MS",0.155531240232306,0.386363926598057,0.155388327685181,1.46561113380153,14.0539951722631,"no"]
["Hordatine A","ESI-MS",0.155963419911142,0.386363926598057,0.155388327685181,-0.87572258708356,54.8230929093286,"no"]
["PS(20:1(11Z)/15:0)","ESI-MS",0.155772288046274,0.386363926598057,0.155388327685181,-0.320033874925492,26.4747136500594,"yes+"]
["2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE","ESI-MS",0.161207006255561,0.394866599592273,0.158807943354425,-0.904873470109013,66.005839194049,"no"]
["PC(18:0/P-16:0)","ESI-MS",0.163941855336518,0.397103605148455,0.1597076250495,-1.04919298926252,72.8907464893777,"yes"]
["PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))","ESI-MS",0.16799024268247,0.402438163788774,0.161853084521756,0.137019519205488,12.5946355791257,"no"]
["Lunarine","ESI-MS",0.17390709177123,0.412084195718783,0.165732537719159,1.77635337987262,42.2989444693317,"no"]
["OKDdiA-PA","ESI-MS",0.17736797628544,0.415765793873397,0.167213207473945,0.14646515933578,15.0558485349392,"no"]
["PKOOA-PE","ESI-MS",0.181141884057426,0.420095007707647,0.168954336113513,0.255403532714469,11.4791380836258,"no"]
["DODECYL SULFATE","ESI-MS",0.183159397633559,0.420302617727536,0.169037832971217,4.05400959396679,48.1480627028831,"no"]
["Myo-Inositol","GC-MS",0.258532323771777,0.43890371244976,0.175129601748257,-0.376685598857594,24.4776581802572,"-"]
["(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct","ESI-MS",0.197907725833766,0.440243716650623,0.177057769100209,1.50205093413483,15.7695565883116,"no"]
["L-Ornithine","ESI-MS",0.196653819007473,0.440243716650623,0.177057769100209,-0.228798592120482,6.12772663811371,"no"]
["PIM2(16:0/16:0)","ESI-MS",0.197798518941076,0.440243716650623,0.177057769100209,-0.569747418914255,47.7588182818786,"no"]
["9-Fluoro-2alpha-methylcortisol 21-acetate","ESI-MS",0.20744985179072,0.442966357547296,0.178152764224486,1.34667078536352,17.1730640561933,"no"]
["CerP(d18:1/22:0)","ESI-MS",0.204627156403546,0.442966357547296,0.178152764224486,-0.941588877738677,76.2443007553446,"yes"]
["OKOOA-PA","ESI-MS",0.202782923840184,0.442966357547296,0.178152764224486,-0.788466830400722,61.2816443965168,"no"]
["PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","ESI-MS",0.2092741231361,0.442966357547296,0.178152764224486,1.48618499762012,73.5615729454699,"no"]
["PS(16:1(9Z)/14:0)","ESI-MS",0.21132339993082,0.442966357547296,0.178152764224486,0.14269316960863,16.1050876423072,"yes+"]
["Sodium Tetradecyl Sulfate","ESI-MS",0.209631167722207,0.442966357547296,0.178152764224486,1.23268632057988,77.7663978692381,"no"]
["PC(18:1(9Z)/16:1(9Z))","ESI-MS",0.214235568644057,0.444793847280043,0.178887746333022,-1.77732644002557,115.522783279534,"no"]
["Glutaminyl-Arginine","ESI-MS",0.222631038453765,0.450711149045063,0.181267574164702,-1.14714254126262,78.4553756086425,"yes"]
["Mugineic acid","ESI-MS",0.221672786332931,0.450711149045063,0.181267574164702,-0.31348670954349,25.3265040021571,"no"]
["UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine","ESI-MS",0.223288092187463,0.450711149045063,0.181267574164702,-1.12378067731941,89.05516022977,"no"]
["(2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE","ESI-MS",0.23683635972744,0.451026786157141,0.181394517493581,0.1095594730411,13.646376668566,"no"]
["(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER","ESI-MS",0.236282244763189,0.451026786157141,0.181394517493581,0.117314106832496,13.4961165675433,"no"]
["3-Epihydroxy-2'-deoxymugineic acid","ESI-MS",0.229129702130797,0.451026786157141,0.181394517493581,0.986460837287393,58.4979483249323,"no"]
["DL-Acetylcarnitine","ESI-MS",0.237926974348951,0.451026786157141,0.181394517493581,0.289037093978373,14.3378155193523,"yes"]
["Euchrenone a14","ESI-MS",0.22993686876361,0.451026786157141,0.181394517493581,-0.374609071108135,23.7954195828879,"no"]
["N-Acetylmuramoyl-Ala","ESI-MS",0.235895111401642,0.451026786157141,0.181394517493581,1.28838686173258,69.5211297276951,"no"]
["PIM2(19:1(9Z)/18:0)","ESI-MS",0.23475184536378,0.451026786157141,0.181394517493581,-0.409454089796211,29.1025271342091,"no"]
["Fluocinolone acetonide","ESI-MS",0.253820949532601,0.4689234491365,0.188592219815312,1.3559843899058,50.5527779000878,"no"]
["L-Arginine","ESI-MS",0.252766917586991,0.4689234491365,0.188592219815312,-0.0531220116874271,2.78938772560886,"yes"]
["PE(16:0/18:1(9Z))","ESI-MS",0.251711404073396,0.4689234491365,0.188592219815312,-0.323888415210655,24.8790373554239,"yes+"]
["PIM2(18:1(9Z)/18:0)","ESI-MS",0.256630860806094,0.470130484501921,0.189077666809655,-1.23966610347535,100.460589344967,"no"]
["PE(15:0/20:5(5Z,8Z,11Z,14Z,17Z))","ESI-MS",0.261260134460211,0.470700076961371,0.189306746218065,0.160328602784273,20.7081348556852,"no"]
["PI(18:1(9Z)/16:0)","ESI-MS",0.260436859353867,0.470700076961371,0.189306746218065,-0.106895259540175,10.8887360760144,"no"]
["1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE","ESI-MS",0.267608011076469,0.478184806677626,0.192316964185423,0.15272620714771,7.77668262297235,"no"]
["Glu-Glu","ESI-MS",0.270758672040257,0.479881223616066,0.192999231273456,-0.287509990426713,28.2444029641357,"yes"]
["Triethylene glycol","GC-MS",0.293910968399664,0.487625015753989,0.19457018108786,0.790273289548868,38.6224376760544,"yes"]
["Propanoic acid","GC-MS",0.301006166943208,0.488298893041204,0.194839068904457,0.38597846138735,28.2135293478818,"yes"]
["4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE","ESI-MS",0.281510288684779,0.488538547199852,0.196481044510419,-0.0522194572053944,3.07897449590957,"no"]
["9-Fluoro-16alpha-methylpregn-4-ene-3,11,20-trione","ESI-MS",0.289089323801747,0.488538547199852,0.196481044510419,-0.960139588162255,84.8349446269188,"no"]
["Diabolic acid","ESI-MS",0.28596594222373,0.488538547199852,0.196481044510419,0.315070973868565,40.5603499034301,"no"]
["Glaucarubin","ESI-MS",0.279748526909754,0.488538547199852,0.196481044510419,1.12024544584976,61.606905237396,"no"]
["PC(18:1(9Z)/18:3(6Z,9Z,12Z))","ESI-MS",0.283541786425861,0.488538547199852,0.196481044510419,0.775078853673312,105.599473837391,"no"]
["PKDdiA-PA","ESI-MS",0.286981840694715,0.488538547199852,0.196481044510419,0.170373703832879,19.7883891544195,"no"]
["Dexylosylbenanomicin A","ESI-MS",0.311996528044735,0.517849341447302,0.208269296434812,0.119033201519969,16.536708268166,"no"]
["PI(18:1(9Z)/18:0)","ESI-MS",0.31187309347257,0.517849341447302,0.208269296434812,0.136776967536172,16.507060052704,"no"]
["Tokoronin","ESI-MS",0.314493968542945,0.517849341447302,0.208269296434812,0.502716042211942,26.358155969048,"no"]
["Uridine","ESI-MS",0.315935607396749,0.517849341447302,0.208269296434812,-0.247204372836093,13.732323762912,"yes"]
["7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dione","GC-MS",0.337925969144561,0.524863739309637,0.209429027438267,-0.476495429779019,54.3024773776291,"-"]
["D-Glucose","GC-MS",0.335215998331979,0.524863739309637,0.209429027438267,-0.390320170113643,38.2031697508944,"-"]
["OHODiA-PE","ESI-MS",0.325623646932682,0.529745933069588,0.213053882546713,0.139587040829264,13.5814091737428,"no"]
["Ginsenoside Rf","ESI-MS",0.336698574233146,0.538673271724013,0.216644290782815,0.45486661396264,28.261445334499,"no"]
["Myxochromide S3","ESI-MS",0.338524028560504,0.538673271724013,0.216644290782815,0.0904095467640216,13.5913065864727,"no"]
["PC(14:0/18:2(9Z,12Z))","ESI-MS",0.336204971956932,0.538673271724013,0.216644290782815,-0.405711991843726,49.8295949980545,"no"]
["1-Octadecanol","GC-MS",0.35747321739703,0.543657184791317,0.216927912795863,-0.921291932731784,44.5859486867275,"-"]
["PI(18:2(9Z,12Z)/17:2(9Z,12Z))","ESI-MS",0.345656895782085,0.546037704931119,0.219606127749525,0.463392273542059,29.106178341188,"no"]
["Gentamicin C1a","ESI-MS",0.350511339790636,0.54957465996347,0.221028624752322,0.681066756371079,16.6788703274641,"no"]
["PE(18:0/18:4(6Z,9Z,12Z,15Z))","ESI-MS",0.364937003148512,0.560255399199827,0.225324217829534,-0.135192884813994,14.6026405511884,"no"]
["Solacapine","ESI-MS",0.363815342660487,0.560255399199827,0.225324217829534,0.477590151537776,47.8402344381402,"no"]
["PE(16:1(9Z)/16:1(9Z))","ESI-MS",0.377174080400013,0.573439605900649,0.230626658585676,-0.156207326382452,14.459800252864,"no"]
["URIDYLYL-2'-5'-PHOSPHO-GUANOSINE","ESI-MS",0.378785794723364,0.573439605900649,0.230626658585676,0.136397992908064,17.2312051240296,"no"]
["Citric acid","ESI-MS",0.404711332030008,0.594168231591503,0.238963323216028,-0.198072924893992,32.7129616958866,"yes"]
["CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR","ESI-MS",0.397210807364724,0.594168231591503,0.238963323216028,0.192608261748574,29.3457771347388,"no"]
["Majoroside F1","ESI-MS",0.405035576195606,0.594168231591503,0.238963323216028,-0.133818567838374,22.8331038452407,"no"]
["PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z))","ESI-MS",0.406105809665752,0.594168231591503,0.238963323216028,-0.0785255978467714,10.8470040740133,"no"]
["PGP(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))","ESI-MS",0.40540887442889,0.594168231591503,0.238963323216028,0.481487751879788,97.5454453482869,"no"]
["20:0-Glc-Campesterol","ESI-MS",0.432950677151584,0.627758152294335,0.252472559575251,-0.21034990495998,36.706240425683,"no"]
["Isochestanin","ESI-MS",0.43482330732314,0.627758152294335,0.252472559575251,-0.136386080559973,19.8551650179667,"no"]
["11-(4-acetoxymethylphenyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3","ESI-MS",0.464452999283224,0.636797193985804,0.256107892678632,0.335019290082018,55.5791129672636,"no"]
["Chivosazole E","ESI-MS",0.459111115840437,0.636797193985804,0.256107892678632,-0.181814806017995,34.2987009708583,"no"]
["Cyclotricuspidoside C","ESI-MS",0.463791811849607,0.636797193985804,0.256107892678632,-0.413965927898707,67.2051389842588,"no"]
["Galactosylhydroxylysine","ESI-MS",0.452680853871366,0.636797193985804,0.256107892678632,0.130971020699223,20.0789065160905,"no"]
["Lubiprostone","ESI-MS",0.451065415833192,0.636797193985804,0.256107892678632,-0.436887424107323,67.3214797947315,"no"]
["PC(O-20:0/14:0)","ESI-MS",0.463990312063836,0.636797193985804,0.256107892678632,0.0904686041693811,16.5357370436214,"no"]
["PS(18:1(9Z)/16:1(9Z))","ESI-MS",0.454999554604276,0.636797193985804,0.256107892678632,-0.0715562854639032,11.0983394408459,"no"]
["L-Carnitine","ESI-MS",0.477308379507203,0.646293333742672,0.259927062054192,0.173727208231812,23.1382854990031,"yes"]
["L-Proline","ESI-MS",0.475599319628341,0.646293333742672,0.259927062054192,0.206769336301378,28.5727002390645,"yes"]
["N-Undecylbenzenesulfonic acid","ESI-MS",0.491407947092989,0.661277360902911,0.265953356855884,0.267041377126376,47.5449190484686,"no"]
["SM(d17:1/24:0)","ESI-MS",0.510001313090715,0.682087645728686,0.274322863259346,-0.270269836576682,48.7441627249524,"yes"]
["2-deoxy-20-hydroxy-5alpha-ecdysone 3-acetate","ESI-MS",0.52427432895112,0.69131430901736,0.278033654251573,0.471509617189124,106.224054995329,"no"]
["Avermectin A1b monosaccharide","ESI-MS",0.524999862718116,0.69131430901736,0.278033654251573,0.280694421341501,29.4056155228283,"no"]
["GALLICHROME","ESI-MS",0.544361795556521,0.69131430901736,0.278033654251573,0.0812711243319881,18.3770829181438,"no"]
["GUANYLYL-2',5'-PHOSPHOGUANOSINE","ESI-MS",0.545440647481587,0.69131430901736,0.278033654251573,-0.238354131492054,46.968308276484,"no"]
["Hellicoside","ESI-MS",0.534440150427966,0.69131430901736,0.278033654251573,0.117128364048158,18.7139726605297,"no"]
["Inositol-P-ceramide","ESI-MS",0.544203410749558,0.69131430901736,0.278033654251573,0.111826853237238,25.1518790627923,"no"]
["Petanin","ESI-MS",0.533738081862987,0.69131430901736,0.278033654251573,-0.217869766442993,49.9332284832199,"no"]
["PI(16:1(9Z)/14:0)","ESI-MS",0.539608808346487,0.69131430901736,0.278033654251573,-0.043625578548744,9.33494758743822,"yes+"]
["PI(18:4(6Z,9Z,12Z,15Z)/12:0)","ESI-MS",0.543490956087155,0.69131430901736,0.278033654251573,0.0723695687027291,16.9547462919063,"no"]
["4,4'-Methylenediphenol","GC-MS",0.481745798087684,0.703348865208019,0.280647447629117,0.210341338172891,19.4719675102462,"-"]
["Adenosine","GC-MS",0.477937474087763,0.703348865208019,0.280647447629117,-0.434764559043121,29.0875012370316,"-"]
["PG(18:2(9Z,12Z)/0:0)","ESI-MS",0.565700836194883,0.712848452546153,0.286694283054408,0.492885189955252,86.3386765013546,"no"]
["Cethromycin","ESI-MS",0.569783528748749,0.713866719926593,0.287103811104235,0.0723418802241247,19.2847036071887,"no"]
["SM(d18:2/20:0)","ESI-MS",0.575038537243509,0.716333720680485,0.288095992555854,0.0731551230660843,17.9892719483241,"yes"]
["Citric acid","GC-MS",0.513051650526466,0.717539650996964,0.286309798147506,0.278313875841104,30.9251714874835,"-"]
["Glycerol monostearate","GC-MS",0.503651080244564,0.717539650996964,0.286309798147506,0.18455960348973,16.9798959776086,"-"]
["Uracil","GC-MS",0.520953445244371,0.717539650996964,0.286309798147506,-0.174095719719777,28.1096313614725,"-"]
["PC(O-18:0/17:1(9Z))","ESI-MS",0.586133294311538,0.726006012272246,0.291986006896895,-0.214356847881641,46.806460496855,"no"]
["DG(20:4(8Z,11Z,14Z,17Z)/14:0/0:0)","ESI-MS",0.601292299847786,0.740574696987669,0.297845258754166,-0.172707314876293,33.8712904903524,"no"]
["TG(16:0/18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))[iso6]","ESI-MS",0.606444918236816,0.742724675143965,0.298709939660606,-0.129393894602461,35.551619197573,"no"]
["2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate","ESI-MS",0.62329158357638,0.754875362331393,0.303596718244996,-0.121979289648313,23.2011848870143,"no"]
["PS(20:2(11Z,14Z)/15:0)","ESI-MS",0.622995881818682,0.754875362331393,0.303596718244996,0.0683252397222707,14.8299391523397,"no"]
["Hydroxylamine","GC-MS",0.565236435182816,0.764115921636029,0.304894475142855,0.155629533178152,18.3929895100425,"-"]
["N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE","ESI-MS",0.642529627061196,0.770792441923034,0.309998269241629,-0.266191817269943,58.1460257879604,"no"]
["OKODA-PS","ESI-MS",0.643505616651341,0.770792441923034,0.309998269241629,0.0480852526766668,14.4409468100195,"no"]
["PE(16:1(9Z)/18:1(9Z))","ESI-MS",0.647902127596741,0.771817835060599,0.310410663137377,-0.114000351588456,23.4933123467424,"no"]
["Tetrahydroaldosterone-3-glucuronide","ESI-MS",0.651981435001458,0.772456265382162,0.310667427843349,0.485428642661707,71.9945139636559,"no"]
["PS(18:1(9Z)/14:1(9Z))","ESI-MS",0.689604713630596,0.812615284170108,0.326818632294246,-0.0465200819920688,15.7607638888925,"no"]
["L-Lysine","ESI-MS",0.696545901307322,0.816381755295678,0.328333436366743,0.0888878591031067,9.49314970991424,"yes"]
["PC(20:3(8Z,11Z,14Z)/14:1(9Z))","ESI-MS",0.704165263080601,0.820898541987011,0.330150003292794,0.0489664360150483,13.3781553878675,"no"]
["PC(16:0/16:1(9Z))","ESI-MS",0.710057013161846,0.823363983347247,0.33114155758552,-0.377817870459991,105.341037685851,"no"]
["5-formyl-tetrahydrosarcinapterin","ESI-MS",0.726218921755492,0.827267189909533,0.332711354087134,-0.0555851586068198,22.9798090000821,"no"]
["Mayolene-17","ESI-MS",0.725931887665988,0.827267189909533,0.332711354087134,0.115133254942811,24.841467022263,"no"]
["PHHdiA-PE","ESI-MS",0.727985744274107,0.827267189909533,0.332711354087134,0.226272580559963,80.7346485729423,"no"]
["TG(15:0/20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]","ESI-MS",0.728602295700139,0.827267189909533,0.332711354087134,-0.0541285139877491,22.3993698265912,"no"]
["Oligomycin C","ESI-MS",0.738438346737905,0.834090982325717,0.335455755463727,0.0468887684070706,15.4045604573232,"no"]
["2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE","ESI-MS",0.755314636448566,0.841271470092432,0.338343613022941,-0.0514200278762131,17.6961871927516,"no"]
["Cefteram pivoxil","ESI-MS",0.751457966397081,0.841271470092432,0.338343613022941,0.106615820027147,48.0953722134151,"no"]
["PIM1(18:2(9Z,12Z)/14:0)","ESI-MS",0.757115012574869,0.841271470092432,0.338343613022941,0.212290685248106,89.3265334751287,"no"]
["PS(P-16:0/17:2(9Z,12Z))","ESI-MS",0.760231557835821,0.841271470092432,0.338343613022941,0.0493459690187228,21.5973580349399,"no"]
["3,4,3',4'-Tetrahydrospirilloxanthin","ESI-MS",0.767810382025515,0.844055503375982,0.339463299014229,0.0941595426475439,46.722145917091,"no"]
["Quercetin 3-glucuronide-7-rutinoside","ESI-MS",0.770845997015218,0.844055503375982,0.339463299014229,0.0294439624793711,15.4570912565117,"no"]
["Quercitrin","ESI-MS",0.774362847133929,0.844055503375982,0.339463299014229,-0.0428686607555939,22.0961735993421,"no"]
["Salviamalvin","ESI-MS",0.783988542272162,0.850296030922046,0.341973122195172,-0.041018030042094,21.8997154594475,"no"]
["Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]","ESI-MS",0.799143475407238,0.858193485905309,0.345149330527103,-0.0765190777056873,40.6173461071989,"no"]
["PC(O-16:0/17:0)","ESI-MS",0.796953881064479,0.858193485905309,0.345149330527103,-0.0696961125434167,38.20765106773,"no"]
["Lactic acid","GC-MS",0.64930512053912,0.861804978170105,0.34387397128447,0.131890532836472,20.616913982758,"-"]
["2,5-Dimethyl-2,5-hexanediol","GC-MS",0.662481687463082,0.862002077288847,0.343952616985545,0.189306548546292,41.769815727152,"-"]
["Benzoic acid","GC-MS",0.673070115143346,0.862002077288847,0.343952616985545,0.214932256299912,47.0269732124678,"-"]
["Pyroglutamic acid","GC-MS",0.690343435273461,0.868880530602805,0.346697229882059,-0.217113535806757,51.4366056344788,"-"]
["Heptaethylene glycol","GC-MS",0.720778387559069,0.872034309093108,0.347955637945929,0.148476410752169,48.1366273826831,"-"]
["Oleic acid","GC-MS",0.71817225602122,0.872034309093108,0.347955637945929,0.0671074637995409,19.1841590776258,"-"]
["Stearic acid","GC-MS",0.728686203488762,0.872034309093108,0.347955637945929,-0.0532274743033763,16.2844113864367,"-"]
["(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE","ESI-MS",0.822757345201005,0.879221084577545,0.353606236485389,0.189168279453838,123.885932067496,"no"]
["Iopanoic acid","ESI-MS",0.834870844540528,0.887813873706512,0.357062095174523,0.0574890425146261,36.5287483285629,"no"]
["2-Isopropylmalic acid","GC-MS",0.805897741252962,0.888750276978425,0.3546255765123,0.0808428215358347,35.7584128575097,"-"]
["3-Pyridinol","GC-MS",0.806983535187388,0.888750276978425,0.3546255765123,0.118344467083862,50.3871472729327,"-"]
["9-Hexadecenoic acid, (Z)-","GC-MS",0.793345636633273,0.888750276978425,0.3546255765123,0.0833705692605321,14.5149936897881,"-"]
["Ergosta-7,22-dien-3-ol, (3ß,22E)-","GC-MS",0.815702309007596,0.888750276978425,0.3546255765123,0.0449465082284808,17.96424804555,"-"]
["Heptadecanoic acid","GC-MS",0.768885582031778,0.888750276978425,0.3546255765123,-0.0417467415320573,14.1338856728147,"-"]
["Uridine","GC-MS",0.803393341064708,0.888750276978425,0.3546255765123,0.104896754671246,32.0448878825609,"-"]
["Benzene, 1,3-bis(1,1-dimethylethyl)-","GC-MS",0.843470352470646,0.894771117281431,0.357027988099502,0.067643572585255,32.5072146703878,"-"]
["L-Proline","GC-MS",0.850222067063409,0.894771117281431,0.357027988099502,-0.0678722120574114,27.7310304348593,"-"]
["Oxalic acid","GC-MS",0.857999701502742,0.894771117281431,0.357027988099502,-0.0427089880503571,24.0409241375454,"-"]
["Avermectin B1b","ESI-MS",0.849849681767142,0.899355488472024,0.361703916249773,0.1423651438508,101.858433594968,"no"]
["L-1-Aminopropan-2-ol O-phosphate","ESI-MS",0.858579400781525,0.904204393093586,0.363654054780779,0.0195246153605046,7.6725366173336,"no"]
["5,8,11,14-Eicosatetraynoic acid","GC-MS",0.889141602967029,0.914187845304129,0.364775573160675,-0.055824901096863,32.0072151807184,"-"]
["2-Dodecylbenzenesulfonic acid","ESI-MS",0.878495621385938,0.920730987798723,0.370300741328805,-0.064958961655794,59.4861812801519,"no"]
["Decane, 5,6-bis(2,2-dimethylpropylidene)-, (E,Z)-","GC-MS",0.914902329772656,0.927609306575054,0.37013095089065,-0.0299810918327916,17.6153144047735,"-"]
["AMP","ESI-MS",0.90234653130257,0.941203558966316,0.37853442563044,0.0248350906217448,17.0000981811549,"no"]
["2-chloro-palmitic acid","ESI-MS",0.915688855957576,0.950125144656254,0.382122520132082,-0.0485337284967388,67.5742290834335,"no"]
["Procyanidin B1","ESI-MS",0.919616539093897,0.950125144656254,0.382122520132082,0.0344867893933801,47.3891944719976,"no"]
["Ansatrienin A","ESI-MS",0.935120514709585,0.959675449023889,0.385963473498609,-0.0217611954806885,38.926666445194,"no"]
["N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE","ESI-MS",0.937664544229763,0.959675449023889,0.385963473498609,0.0612452194372518,99.9441039420858,"no"]
["2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE","ESI-MS",0.951625675597663,0.969413071403227,0.389879762657584,-0.00703731311023354,15.5669116063925,"no"]
["Ribonic acid","GC-MS",0.975025922040683,0.975025922040683,0.389050938913527,-0.0100968597007808,23.0523216695547,"-"]
["Aminophylline","ESI-MS",0.963625408237741,0.97707134416664,0.392959776384905,0.0359171709710186,104.389886163337,"no"]
["Helieianeoside C","ESI-MS",0.99006530163693,0.994627814547699,0.400020659621567,-0.00163786561671066,19.283209581145,"no"]
["PI(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))","ESI-MS",0.986192203212864,0.994627814547699,0.400020659621567,-0.00213155704974062,18.7201189831263,"no"]
["DG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0)","ESI-MS",0.995630051919169,0.995630051919169,0.400423740702318,-0.00211622424725266,37.6310176402784,"no"]