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Analysis: ESI Positive ion mode (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HydroxycarbazepineLicarbazepineME103077114709C074939.81255.1106
11-Aminoundecanoic acid11-Aminoundecanoic acidME10307817083C193256.36202.1803
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...-ME103079228786C146647.9437.2337
11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-...-ME103080243748C1493913.96361.2345
1,2,3-Trihydroxybenzene_11,2,3-TrihydroxybenzeneME1030721057C011080.79127.0393
1,2,3-Trihydroxybenzene_21,2,3-TrihydroxybenzeneME1030731057C011082.24127.0381
1,2,6-Hexanetriol_1-ME1030747823C203346.97135.1018
1,2,6-Hexanetriol_2-ME1030757823C203340.85135.1018
1,3,8-NaphthalenertriolNaphthalene-1,3,8-triolME103076439428C0117312.54177.0547
13(S)-HPOT13S-HpOTrEME1030815497123C0478512.08311.2218
14-DihydroxycornestinCornexistinME1030825281160C0848311.94309.131
16-Feruloyloxypalmitate-ME10308344237331C1821713.88449.287
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-o...-ME103084235498C1517513.8318.2401
1'-Acetoxyeugenol acetate1'-Acetoxyeugenol acetateME1030854484222C1042712.03265.1047
1H-Imidazole-4-methanol_1Imidazole-4-methanolME1030861745C0556214.1799.0559
1H-Imidazole-4-methanol_2Imidazole-4-methanolME1030871745C0556214.6699.0559
1-OctanalCaprylaldehydeME103088454C0154512.48129.1277
1-PalmitoylglycerophosphocholineLPC 16:0/0:0ME103089460602C0410213.63497.3442
1-Phenylethylamine1-PhenylethanamineME1030907408C024557.3122.0967
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...-ME103091255266C1505611.22327.1416
2,2-Dichloro-1,1-ethanediol_1-ME10309285275C148604.7130.9661
2,2-Dichloro-1,1-ethanediol_2-ME10309385275C148605.16130.9663
2,2-Dichloro-1,1-ethanediol_3-ME10309485275C148600.14130.966
2,2-Dichloro-1,1-ethanediol_4-ME10309585275C148601.63130.9657
2,3-Dihydroxybenzoate2-Pyrocatechuic acidME10309654675818C001962.69155.0331
2,3-DimethylmaleateDimethyl maleateME1030973032309C009220.79145.0497
2,5-Dichloro-4-oxohex-2-enedioate2,5-Dichloro-4-oxohex-2-enedioateME1030985282172C128350.71226.9512
2,6-Diamino-7-hydroxy-azelaic acid-ME103099443585C1202510.75235.1307
2-Aceto-2-hydroxybutanoate2-Acetolactic acidME10310021C006597.76147.0654
2-Aminoadenosine2-AminoadenosineME10310172200C0093911.67283.1177
2'-DEOXYGUANOSINEDeoxyguanosineME103102187790C003305.95268.104
2-Ethylhexyl phthalate_1Monoethylhexyl phthalic acidME103103-C0334314.83279.1588
2-Ethylhexyl phthalate_2Monoethylhexyl phthalic acidME103104-C0334313.66279.159
2-Furoate2-Furoic acidME1031055460151C015461.1113.0228
2-Hydroxy-2,4-pentadienoate_12-Hydroxypenta-2,4-dienoic acidME10310654675827C005960.82115.0389
2-Hydroxy-2,4-pentadienoate_22-Hydroxypenta-2,4-dienoic acidME10310754675827C005966.61115.0393
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyri...-ME103108104954C202868.55241.1078
2-Hydroxycyclohexan-1-one2-Hydroxycyclohexan-1-oneME10310910785C011478.01115.0753
2-Hydroxymethylclavam-ME1031103050259C173570.79144.0657
2-MaleylacetateMaleylacetic acidME1031115280500C022222.17159.0279
2-Methylpropanamine-ME1031126558C027870.0174.0972
2-Nitrofuran2-NitrofuranME10311311865C144141.95114.018
2-Oxooctadecanoic acid2-Oxo-octadecanoic acidME103114439332C0086915.08299.2582
2-Oxosuberate-ME103115146903C165897.76189.0741
2-Thiophenesulfonamide-ME10311672881C147640.04163.9839
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME1031176930705C0119813.52167.0704
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...-ME10312015944652C2019913.27239.1275
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...-ME10312115944652C201999.62239.1255
3,4-Dihydroxyphenylethyleneglycol3,4-DihydroxyphenylglycolME10311891528C055766.79171.064
3,4-Methylenedioxymethamphetamine3,4-MethylenedioxymethamphetamineME1031191615C075776.73194.118
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-alME103122439479C0130115.88435.3477
(3-Arylcarbonyl)-alanine-ME103063412786C034508.44194.0813
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...-ME10312353665C192050.73216.9206
3-Chloro-D-alanine3-Chloro-D-alanineME103124439771C026340.54124.0152
3-Dehydroquinate3-Dehydroquinic acidME103125439351C009447.89191.0531
3-Isopropylcatechol3-IsopropylcatecholME10312616498C010148.8153.0912
3-Methyl-2-oxobutanoic acid_1Ketoisovaleric acidME10312749C001410.83117.055
3-Methyl-2-oxobutanoic acid_2Ketoisovaleric acidME10312849C001412.06117.055
3-Methyleneoxindole3-MethyleneoxindoleME103129150946C027967.76146.0602
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME1031305460375C032320.04184.9858
(3S,5S)-Carbapenam-3-carboxylic acid(3S,5S)-Carbapenam-3-carboxylic acidME1030646337945C173671.08156.0649
3-Sulfocatechol3-SulfocatecholME1031319543247C063361.8191.0004
4-Acetamidobutanoate4-Acetamidobutanoic acidME1031326991994C029461.11146.0814
4-Amino-2-hydroxylamino-6-nitrotoluene-ME1031339543061C164030.96184.0727
4-AMINOBUTANOATEgamma-Aminobutyric acidME103134119C003340.84104.0712
4-Aminobutyraldehyde_14-AminobutyraldehydeME103135118C005557.9688.0764
4-Aminobutyraldehyde_24-AminobutyraldehydeME103136118C005558.4888.0764
4-Aminobutyraldehyde_34-AminobutyraldehydeME103137118C005558.8388.0764
4-Aminobutyraldehyde_44-AminobutyraldehydeME103138118C005550.6688.0763
4-Fluorocyclohexadiene-cis,cis-1,2-diol-ME10313911829464C164836.46131.0493
4-Guanidinobutanal4-GuanidinobutanalME10314025200663C026471.79130.0977
4-Guanidinobutanoate4-Guanidinobutanoic acidME103141500C010351.78146.0924
4-Hexyloxyphenol-ME10314229354C1430512.6195.1383
4-Hydroxy-2-butynal4-Hydroxybut-2-ynalME103143439778C026480.7985.0291
4-Hydroxy-2-quinolinecarboxylic acidKynurenic acidME1031443845C017177.94190.0501
4'-Hydroxy-3'-prenylacetophenone-ME103145442916C1070212.35205.1225
4-Methylene-L-glutamine4-Methylene-glutamineME103146439401C011090.82159.0766
4-Oxocyclohexanecarboxylate-ME1031475460131C037671.31143.069
4-Vinylcyclohexene-ME1031487499C193108.6109.1019
5,6-DihydrothymineDihydrothymineME10314993556C009060.94129.0662
5,6-DihydrouracilDihydrouracilME103150649C004291.12115.0507
5-Acetamidopentanoate5-Acetamidovaleric acidME103151439903C030878.22160.0968
5-Amino-6-(5'-phosphoribosylamino)uracil-ME103152439462C012689.06355.0631
5-Aminopentanamide5-AminopentanamideME103153439358C009900.94117.1027
5-AMINOPENTANOATE5-Aminopentanoic acidME103154138C004311.19118.0866
5-Methylthiopentanaldoxime5-MethylthiopentanaldoximeME10315525010757C172450.78148.0799
5-OXO-L-PROLINEPyroglutamic acidME1031567405C018791.97130.0502
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME103062-C0487514.32294.2065
5-Valerolactone5-ValerolactoneME10315710953C022404.38101.0603
6-DEOXY-L-GALACTOSED-FucoseME10315817106C010190.9187.0578
7-Dehydrodesmosterol7-Dehydro-desmosterolME103159440558C0510716.33383.3312
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME103160173C010921.63188.1289
8-DeoxylactucinDeoxylactucinME103161442196C0939211.17261.1101
9,12,13-TriHOME9,12,13-TriHOMEME1031629858729C1483311.19331.2479
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic...13S-HpODEME1030665280720C0471713.66313.2365
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid8R-HODEME1030675281117C0831814.72297.2428
(9Z)-Octadecenoic acidOleic acidME103065445639C0071214.56283.2635
Acetyl phosphateAcetylphosphateME103163186C002270.04140.996
Acremoauxin AAcremoauxin AME103164441556C0846813.21324.142
AcridineAcridineME1031659215C201410.83180.0812
ADENINEAdenineME103166190C001471.65136.0621
ADENOSINE 5'-MONOPHOSPHATEAMPME1031676083C000201.79348.0699
AGMATINE SULFATEAgmatineME103168199C001790.76131.1295
alpha-SinensalSinensalME1031695281534C0972914.44219.1745
AlprazolamAlprazolamME1031702118C0681714.05309.0921
Apigenin 7,4'-dimethyl ether7,4'-Di-O-methylapigeninME1031715281601C100191.99299.0898
Aplysin-ME10317299997C171322.17295.0663
ArtecaninChrysartemin BME103173442147C093029.43279.1203
Azelaic acidAzelaic acidME1031742266C082619.34189.1127
Bakkenolide ABakkenolide AME103175442173C0935014.33235.1692
BeclomethasoneBeclomethasoneME10317620469C0684212.51409.1747
Bensulfuron-methyl-ME10317754960C1093714.03411.0937
BenzofuranBenzofuranME1031789223C1451210.67119.0495
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate-ME103179440386C045617.76209.118
Benzyl alcoholBenzyl alcoholME103180244C005568.94109.0653
Benzylpenicilloic acid-ME10318198994C166728.98353.1164
BergaptenBergaptenME1031822355C015571.97109.0289
BETA-ALANINEbeta-AlanineME103183239C000990.7890.0557
beta-Carbolinebeta-CarbolineME10318464961C2015710.56169.0756
beta-Cotonefuranbeta-CotonefuranME103185441781C087409.53305.0996
BetamethasoneBetamethasoneME1031869782C068487.74393.2099
Bis(chloromethyl) ether-ME10318710967C191584.54114.9717
(+)-Bornane-2,5-dioneBornane-2,5-dioneME10306020218C0303710.34167.1068
BoschnialactoneBoschnialactoneME103188442420C097729.83155.1068
BotrydialBotrydialME103189185781C0962212.3311.1852
Buddledin A_1Buddledin AME1031905281514C0962314.65277.1785
Buddledin A_2Buddledin AME1031915281514C0962312.24277.1793
BufanolideBufanolideME103192115047C1966014.11359.295
BurseranBurseranME10319311101102C1054712.18387.1807
ButabarbitalButabarbitalME1031942479C078271.06213.1224
ButanalButanalME103195261C0141211.7273.0656
Butanoic acidButyric acidME10319620975673C002462.3389.0604
Butoctamide hydrogen succinateListomin SME1031972486C129468.36316.2116
Calcitriol1alpha,25-Dihydroxyvitamin D3ME1031985280453C0167315.86417.3358
Calcium L-aspartate-ME10319930465C130587.6171.993
Callytriol C-ME10320010593857C170057.59349.1829
Calystegin B2Calystegin B2ME103201443000C108510.63176.092
(+)-CamphorCamphorME1030612537C0080810.6153.1276
Chlorpromazine N-oxide_1Chlorpromazine N-oxideME103202443037C1096613.43335.0996
Chlorpromazine N-oxide_2Chlorpromazine N-oxideME103203443037C109668.2335.0995
Cholesterol sulfateCholesterol sulfateME10320465076C1804317.15467.3175
CinnamaldehydeCinnamaldehydeME103205637511C009038.85133.0651
cis-1,2-Dihydro-3-ethylcatechol_1cis-1,2-Dihydro-3-ethylcatecholME103206441155C0672713.25141.0911
cis-1,2-Dihydro-3-ethylcatechol_2cis-1,2-Dihydro-3-ethylcatecholME103207441155C067277.52141.0911
cis-2-Carboxycyclohexyl-acetic acidcis-2-Carboxycyclohexyl-acetic acidME103208656884C141126.99187.0948
CITRULLINECitrullineME1032099750C003270.84174.0874
Convallasaponin A-ME103210441883C0889313.7581.3669
CreatineCreatineME103211586C003000.71132.077
CreatinineCreatinineME103213588C007910.96112.0511
CREATININECreatinineME103212588C007911.01114.0666
CuauhtemoneCuauhtemoneME103214442357C0964511.14253.1796
CycasinCycasinME1032155459896C0141811.17253.105
Cyclohex-2-enoneCyclohex-2-enoneME10321613594C023957.8597.0655
Cyclohexane-1,3-dioneCyclohexane-1,3-dioneME10321710434C010667.25113.0601
CyclohexylamineCyclohexylamineME1032187965C005716.67100.1126
CyclopentanoneCyclopentanoneME1032198452C005571.5685.0655
Cyclopiazonic acidalpha-Cyclopiazonic acidME10322054682463C0303210.98337.1543
Cycluron-ME10322116554C1910910.8199.1806
D-Arabinono-1,4-lactoneD-Arabinono-1,4-lactoneME10322317723C006528.8149.0449
D-(-)-ARABINOSEArabinoseME10322266308-0.83173.0421
Debrisoquin_1DebrisoquineME1032242966C136500.74176.1183
Debrisoquin_2DebrisoquineME1032252966C136508.49176.1182
Deethylatrazine6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME10322622563C065597.76188.0707
Deidaclin-ME10322773604C0832911.63272.1147
DevazepideDevazepideME103228443375C1171012.18409.1628
DiacetylDiacetylME103229650C007412.2887.0448
Diallyl disulfide-ME10323016590C083697.71147.0311
Dichloromethane_1DichloromethaneME1032316344C022712.6984.9604
Dichloromethane_2DichloromethaneME1032326344C022713.7584.9604
Dichloromethane_3DichloromethaneME1032336344C022714.9584.9604
DIETHANOLAMINEDiethanolamineME1032348113C067720.79106.0867
Diethylene glycolDiethylene glycolME1032358117C146898.91107.0707
DigitaloseDigitaloseME103236192798C082357.83179.0897
DihydroanhydropodorhizolYateinME103237442835C1055711.15401.1587
DihydrosanguinarineDihydrosanguinarineME103238124069C0519110.95334.1074
Diisopropyl phthalate-ME10323911799C144688.99251.1256
Dikegulac-ME10324065420C188257.14275.1098
Dimetacrine tartrate-ME10324194279C1295912.18445.2336
DimethylbenzimidazoleDimethylbenzimidazoleME103242675C031141.72147.0917
DinotefuranDinotefuranME103243197701C185091.34203.114
Dipropyl disulfideDipropyl disulfideME10324412377C083731.54151.0619
DisulfiramDisulfiramME1032453117C016923.31297.0571
D-MANNOSAMINE2-Amino-2-deoxy-D-mannoseME103246440049-0.8180.0867
DodecanamideDodecanamideME10324714256C1383112.63200.201
Dodemorph-ME10324861899C1878616.19282.2791
DopaquinoneDopaquinoneME103249439316C0082211.52196.0595
D-XylonateXylonic acidME1032505460056C005020.83167.0566
(E)-4-(Trimethylammonio)but-2-enoateCrotonic acid betaineME103068-C041141.15144.1021
Elaeokanine CElaeokanine CME103251442855C1059210.13212.1646
EprosartanEprosartanME1032525281037C0746711.97425.1568
epsilon-CaprolactamEpsilon-caprolactamME1032537768C065937.2114.0918
Ethephon-ME10325427982C1839916.96144.9823
EthosuximideEthosuximideME1032553291C075057.98142.0864
Ethyl 3-(N-butylacetamido)propionate-ME103256104150C188308.7216.1597
Ethyl tiglateEthyl tiglateME1032575281163C084878.12129.0913
EuxanthoneEuxanthoneME1032585281631C100612.34229.0513
FagomineFagomineME10325972259C101441.27148.097
FerimzoneFerimzoneME1032609013425C1857911.79255.159
FlumioxazinFlumioxazinME10326192425C110358.98355.112
FluoroacetateFluoroacetic acidME1032625236C061080.3579.0186
FomepizoleFomepizoleME1032633406C0783717.1183.0611
Fosetyl-ME1032646328134C1840117.51111.0207
Furfural diethyl acetal2-Furaldehyde diethyl acetalME10326583553C142809.34171.1015
gamma-Coniceinegamma-ConiceineME103266442632C101387.27126.128
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME103267440920C061142.03200.103
Gentamicin C1a-ME10326872396C0090813.87450.2909
Gibberellin A12 aldehyde-ME103269193542C060938.43317.2086
GlutathioneGlutathioneME103270124886C0005114.05308.0886
GLYCINEGlycineME103271750C000370.7676.0401
GoniothalenolAltholactoneME103272343590C099309.89233.0786
GraphinoneOvalicinME103273442372C096749.83297.1675
GuanfacineGuanfacineME1032743519C070379.06246.0213
GuanidinoacetateGuanidoacetic acidME103275763C005811.12118.0611
GUANINEGuanineME103276764C002421.62152.0559
GyromitrinGyromitrinME1032779548611C0830517.5101.0717
HarmalolHarmalolME1032785353656C065370.62201.1006
HercynineHercynineME1032795459798C0557510.89199.133
HetacillinHetacillinME103280443387C1172910.51390.1497
Heteropyrithiamine1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridiniumME103281439786C026919.68202.1226
HexylamineHexylamineME1032828102C083066.64102.1281
HippurateHippuric acidME103283464C015867.99180.0669
HistamineHistamineME103284774C003880.78112.0873
Hymexazol O-glucosideHymexazol O-glucosideME103285443069C1110211.82262.0913
HypoxanthineHypoxanthineME103286790C002626.27137.0459
Indole-3-acetaldehydeIndoleacetaldehydeME103287800C006376.88160.0756
InosineInosineME1032886021C002946.27269.0883
IsobutyronitrileIsobutyronitrileME1032896559C024201.7970.0659
IsoniazidIsoniazidME1032903767C070541.96138.0653
Jasmonecis-JasmoneME1032911549018C0849011.29165.1276
(-)-Jasmonic acidJasmonic acidME1030585281166C084919.14211.1329
L-ARGININEArginineME1032926322C000620.74175.1192
L-CARNITINECarnitineME103293288-1.04162.1124
L-CysteateCysteic acidME10329472886C005061.31170.0126
L-CystineCystineME10329567678C004910.74241.0309
LevetiracetamLevetiracetamME1032965284583C078416.44171.1129
L-GLUTAMINEGlutamineME1032975961C000640.78147.0766
L-HISTIDINEHistidineME1032986274C001350.74156.0769
LicheninLicheninME103299439241C004780.8163.0602
LinustatinLinustatinME103300119301C0833312.18410.1656
L-LYSINELysineME1033015962C000470.68147.113
L-METHIONINEMethionineME1033026137C000731.54150.0584
L-Methionine S-oxideMethionine sulfoxideME103303158980C029890.83166.0535
LophocerineLophocerineME103304442313C0957111.42250.178
LovastatinLovastatinME10330553232C0707413.94405.2617
L-PhenylalaninePhenylalanineME1033066140C000796.45166.0863
L-PROLINEProlineME103307145742C001480.92116.071
L-THREONINEThreonineME1033086288C001880.81120.0659
L-TryptophanTryptophanME1033096305C000787.76205.0972
L-TyrosineTyrosineME1033106057C000823.65182.0814
MandipropamidMandipropamidME10331111292824C1852210.46412.1324
MANNOSEMannoseME10331218950C001590.8203.0528
MelamineMelamineME1033137955C087373.18127.0736
MelatoninMelatoninME103314896C015989.92233.1284
Melithiazol A-ME10331523724543C1569612.44423.141
MenadiolMenadiolME10331610209C0712610.62175.0755
(-)-Menthyl acetateMenthyl acetateME103059220674C0987012.71199.1694
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME103317439447C012237.77215.1255
MethyleugenolMethyleugenolME1033187127C1045413.23179.1069
MethylguanidineMethylguanidineME10331910111C022940.9574.0721
Militarinone DMilitarinone DME10332054691338C1233213.71422.2365
Monodehydroascorbate-ME103321-C010411.31176.03
N1-AcetylspermidineN1-AcetylspermidineME103323496C006120.97188.1759
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME103325128888C039551.34205.1184
N6-(delta2-Isopentenyl)-adenineN6-IsopentenyladenineME10332492180C040836204.1232
N-Acetyl-L-citrullineN-AcetylcitrullineME103326656979C155320.87218.1129
N-AcetylornithineN-AcetylornithineME103327439232C004371.13175.1077
N-AcetylputrescineN-AcetylputrescineME103328122356C027140.9131.1182
N-AcetylserotoninN-AcetylserotoninME103329903C009780.96219.1113
N-CyclohexylformamideN-CyclohexylformamideME10333013017C115192.99128.1074
N-Cyclopropylammeline-ME1033316321196C141486.46168.0867
N-EthylglycocyamineN-EthylglycocyamineME103332439826C028527.76208.116
N-EthylmaleimideN-EthylmaleimideME1033334362C024417.54126.0548
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine-ME103334597195C198726.46167.0917
NICOTINAMIDENiacinamideME103335936C001531.74123.0556
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME10333613387C111186.38100.0762
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME10333722880C122690.82148.0606
N-MethylpelletierineMethylisopelletierineME10333886786C061846.71156.1385
N,N'-Diethylthiourea-ME1033222735009C194000.97133.0792
N'-Nitrosoanabasine-ME10333914335C194777.91192.113
N-Nitrosopiperidine-ME1033407526C192846.69115.087
NORLEUCINENorleucineME10334121236C019332.74132.1021
N-PhosphohypotaurocyamineN(omega)-PhosphohypotaurocyamineME10334216019959C036241.97232.013
N-Succinyl-2-L-amino-6-oxoheptanedioateN-Succinyl-2-amino-6-ketopimelateME103343440349C044625.95290.086
N-Trimethyl-2-aminoethylphosphonate-ME1033441014C064598.58169.0861
N-Vinyl-2-pyrrolidone-ME1033456917C195486.77112.0761
OctylamineOctylamineME1033468143C017408.46130.1594
OrnalineNopalinic acidME1033474474580C0168310.62263.1254
Orthophosphate_1Phosphoric acidME103348-C0000911.3798.9848
Orthophosphate_2Phosphoric acidME103349-C0000910.9498.9848
Orthophosphate_3Phosphoric acidME103350-C0000911.6898.9848
Orthophosphate_4Phosphoric acidME103351-C0000910.5698.9849
OstruthinOstruthinME1033525281420C0928114.32299.1621
OtonecineOtonecineME1033535281740C103567.57186.1127
OxethazaineOxethazaineME1033544621C1255217.17468.3206
Oxidized Latia luciferin4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanoneME103355519382C0352714.47195.1746
PantothenatePantothenic acidME103356988C008648.23220.1161
Paspalinine-ME1033579867531C2055416.33434.2297
Penicillin GPenicillin GME1033585904C055518.18335.1074
Penicillin K-ME10335912314049C1740312.14343.1655
PentadecanePentadecaneME10336012391C083880.66213.2568
PentanamidePentanamideME10336112298C018422.36102.0919
Pentylenetetrazole_1PentylenetetrazoleME1033625917C136920.74139.098
Pentylenetetrazole_2PentylenetetrazoleME1033635917C136926.9139.098
PhaseollidinPhaseollidinME103364119268C0523013.26325.1449
PhenazopyridinePhenazopyridineME1033654756C0742911214.107
PhendimetrazinePhendimetrazineME10336612460C079047.7192.1384
PhenmetrazinePhenmetrazineME1033674762C074327.41178.1227
Phenylacetaldehyde_1PhenylacetaldehydeME103369998C006010.8121.0653
Phenylacetaldehyde_2PhenylacetaldehydeME103370998C0060112.36121.0652
Phenyl acetatePhenyl acetateME10336831229C0054810.71137.0599
Phenylethyl alcohol2-PhenylethanolME1033716054C0585310.64123.0808
Phorbol 13-butanoate-ME103372439882C0301916.37435.2335
Phosphoagmatine-ME10337372734288C027268.28211.0942
Phthalate_1Phthalic acidME1033741017C016062167.034
Phthalate_2Phthalic acidME1033751017C0160613.66167.0341
PhytuberinPhytuberinME103376442387C0970912.89295.1901
PIPECOLATEPipecolic acidME103377849C004081.35130.0865
PiperideinePiperideineME10337868161C061812.3584.0815
PiperidionePiperidioneME1033796465C177308.34170.1177
PirimicarbPirimicarbME10338031645C110797.18239.149
Precocene IIPrecocene IIME10338112565C0901814.32221.117
ProbenecidProbenecidME1033824911C0737212.56286.1111
Prostaglandin B1_1PGB1ME1033835280388C0095916.18337.2349
Prostaglandin B1_2PGB1ME1033845280388C0095912.67337.2348
Prosulfocarb-ME10338562020C187601.21252.1441
ProtoanemoninProtoanemoninME10338666948C070900.7997.0291
PsoralidinPsoralidinME1033875281806C1052313.69337.1045
PUTRESCINEPutrescineME1033881045C001340.5989.108
Pyraclonil-ME10338911563984C186136.25315.1118
PyrenePyreneME10339031423C143358.11203.0875
PyridostigminePyridostigmineME1033914991C074102.17182.1037
PyridoxinePyridoxineME1033921054C003143.17170.0812
RabeprazoleRabeprazoleME1033935029C0786410.98360.1398
RhododendrinRhododendrinME103394442538C099659.08329.1571
(R)-MevalonateMevalonic acidME103069439230C004180.78149.0822
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol-ME10307011954181C154638.52273.1671
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME10307124771808C004501.17128.0709
SalicinSalicinME103395439503C0145112.36287.1144
Saphenic acid methyl esterSaphenic acid methyl esterME103396443634C1211810.52283.1077
SimazineSimazineME1033975216C111728.1202.0839
Succinic anhydrideSuccinic anhydrideME1033987922C195242.47101.0239
SulcatoneSulcatoneME1033999862C072878.86127.1121
SulfamethazineSulfamethazineME1034005327C1953011.54279.0934
sym-Homospermidine-ME103401368C063660.53160.1809
TarennosideTarennosideME103402182279C1165410.98359.1368
TaurineTaurineME1034031123C002450.64126.0232
TerazosinTerazosinME1034045401C0712712.5388.1963
Thiofanox-ME10340538235C186520.89219.1168
TolbutamideTolbutamideME1034065505C0714811.61271.1115
Tos-Lys-CH2Cl-ME10340773094C0089610.95333.104
Toxyl angelateToxyl angelateME10340811953921C089810.6301.1423
trans-4-Hydroxycyclohexanecarboxylate4-Hydroxycyclohexylcarboxylic acidME10340919034555C044048.21145.0857
TRANS-CINNAMATEtrans-Cinnamic acidME103410444539C004239.89149.0598
Traumatic acidTraumatic acidME1034115283028C1630810.62229.1434
Trimethylamine N-oxideTrimethylamine N-oxideME1034121145C011041.0476.0765
Tris(butoxyethyl)phosphate-ME1034136540C1444613.71399.2511
TrisphaeridineTrisphaeridineME103414443684C1218212.48224.0724
TropinoneTropinoneME103415446337C007837.21140.107
Trp-P-1-ME1034165284474C193069.24212.1184
TyramineTyramineME1034175610C004837.11138.0916
URACILUracilME1034181174C001061.49113.035
Urate-3-ribonucleoside3-(beta-D-Ribofuranosyl)uric acidME103419-C0551311.54301.0757
UROCANATEUrocanic acidME1034201549103-2.08139.0496
Xanthan-ME1034217107C0146413.33183.0807
XanthineXanthineME1034221188C003852.66153.0409
Yellow OB-ME1034238578C195537.17262.1344
Zeatintrans-ZeatinME103424449093C003716.76220.1177
ZingeroneZingeroneME10342531211C1749713.52195.1016


Analysis: ESI Negative ion mode (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Hydroxydecanoic acid_110-Hydroxydecanoic acidME10343974300C0277411.92187.133
10-Hydroxydecanoic acid_210-Hydroxydecanoic acidME10344074300C0277411.43187.133
10-Hydroxydecanoic acid_310-Hydroxydecanoic acidME10344174300C027749.99187.133
(10S)-Juvenile hormone III acid diol-ME10342723724772C1650612.22269.1757
1,2-Bis(4-nitrophenyl)ethane-ME10343869776C145897.73271.0703
16-Dehydroprogesterone16,17-DidehydroprogesteroneME103442101964C0320714.97311.2014
16-Oxo-palmitate_1-ME10344315931626C1961415.25269.2123
16-Oxo-palmitate_2-ME10344415931626C1961414.92269.2122
16-Oxo-palmitate_3-ME10344515931626C1961414.38269.2122
1-Hydroxy-2-naphthoate1-Hydroxy-2-naphthoic acidME1034466844C032031.32187.041
2,2',5,5'-Tetrachlorobenzidine-ME10344827465C195330.76318.9379
2,3-Dihydroxybenzoate_12-Pyrocatechuic acidME10344954675818C001969.39153.0182
2,3-Dihydroxybenzoate_22-Pyrocatechuic acidME10345054675818C001962.69153.019
2,3-Dihydroxycyclopentaneundecanoic acid_1-ME103451243756C1498711.54285.2073
2,3-Dihydroxycyclopentaneundecanoic acid_2-ME103452243756C1498713.46285.2074
2,3-Dihydroxycyclopentaneundecanoic acid_3-ME103453243756C1498712.48285.2073
2,3-Dihydroxycyclopentaneundecanoic acid_4-ME103454243756C1498712.01285.2073
2,3-Dinor-8-iso prostaglandin F2alpha2,3-Dinor-8-iso-PGF2alphaME1034559548881C1479411.93325.2022
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile_1-ME1034563003768C150846.46281.1074
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile_2-ME1034573003768C150847.46281.1074
2,4-Dichlorobenzoate2,4-Dichlorobenzoic acidME1034584294268C0667011.47188.9508
2,4-Dinitrophenol2,4-DinitrophenolME1034591493C0249611.27183.0038
2-(Acetamidomethylene)succinate-ME10344721158439C012151.72186.0393
2-Aceto-2-hydroxybutanoate2-Acetolactic acidME10346021C006597.2145.0494
2-Deoxy-D-ribose 1-phosphate_1Deoxyribose 1-phosphateME103461439287C0067211.39213.0148
2-Deoxy-D-ribose 1-phosphate_2Deoxyribose 1-phosphateME103462439287C006720.8213.0165
2-Ethylhexyl phthalate_1Monoethylhexyl phthalic acidME103463-C0334313.66277.1444
2-Ethylhexyl phthalate_2Monoethylhexyl phthalic acidME103464-C0334313.1277.1444
2-Ethylhexyl phthalate_3Monoethylhexyl phthalic acidME103465-C0334314.72277.1444
2-Hydroxy-3-chloropenta-2,4-dienoate-ME1034665281907C113538.85146.9864
2-O-Caffeoylglucarate_1-ME1034675459979C030629.03371.0596
2-O-Caffeoylglucarate_2-ME1034685459979C0306210.37371.0597
2-Oxo-3-hydroxy-4-phosphobutanoate2-Oxo-3-hydroxy-4-phosphobutanoic acidME10346925245610C060548.96212.9787
2-Oxooctadecanoic acid_12-Oxo-octadecanoic acidME103470439332C0086914.02297.2433
2-Oxooctadecanoic acid_22-Oxo-octadecanoic acidME103471439332C0086915.17297.2434
2-Oxosuberate-ME103472146903C165897.43187.0602
2-Quinolinecarboxylic acidQuinaldic acidME1034737124C063257.82172.0395
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME1034749548580C036727.63181.0494
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-alME103475439479C0130115.83433.3323
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-alME103476439479C0130116.76433.3324
(3-Arylcarbonyl)-alanine_1-ME103428412786C034508.46192.0657
(3-Arylcarbonyl)-alanine_2-ME103429412786C034508.79192.0657
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole-ME103477443072C111070.86274.0579
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate3-Hydroxy-2-methylpyridine-4,5-dicarboxylateME10347854683777C0460410.44196.0243
3-Methyleneoxindole3-MethyleneoxindoleME103479150946C027967.75144.0442
3-Sulfino-L-alanine3-Sulfino-alanineME1034801549098C006060.82152.001
4,4'-Diaminostilbene dihydrochloride_1-ME10348111954176C1545213.01281.0627
4,4'-Diaminostilbene dihydrochloride_2-ME10348211954176C1545212.54281.0627
4-Acetamidobutanoate_14-Acetamidobutanoic acidME1034836991994C029466.91144.0655
4-Acetamidobutanoate_24-Acetamidobutanoic acidME1034846991994C029467.37144.0655
4-Acetamidobutanoate_34-Acetamidobutanoic acidME1034856991994C029461.14144.0655
4-Acetamidobutanoate_44-Acetamidobutanoic acidME1034866991994C029469.38144.0655
4-Hydroxybenzoate_14-Hydroxybenzoic acidME103487135C0015610.17137.0231
4-Hydroxybenzoate_24-Hydroxybenzoic acidME103488135C001568.07137.0231
4-Methyl-2-oxopentanoate_1KetoleucineME10348970C002332.77129.0545
4-Methyl-2-oxopentanoate_2KetoleucineME10349070C002337.65129.0545
4-Methyl-2-oxopentanoate_3KetoleucineME10349170C002337.14129.0545
4-Nitrophenol4-NitrophenolME103492980C0087010.48138.0185
4-Oxoproline4-Oxo-prolineME103493107541C018771.98128.0341
4-Pyridoxate4-Pyridoxic acidME1034946723C008476.18182.0449
4-Pyridoxolactone_14-PyridoxolactoneME103495151228C009719.32164.0343
4-Pyridoxolactone_24-PyridoxolactoneME103496151228C009716.57164.0343
4-Sulfobenzyl alcohol-ME1034979543135C066788.74187.0062
5-Acetamidopentanoate_15-Acetamidovaleric acidME103498439903C030878.3158.081
5-Acetamidopentanoate_25-Acetamidovaleric acidME103499439903C030877.17158.0811
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME103500108214C163650.8225.061
5-Amino-6-(5'-phosphoribosylamino)uracil-ME103501439462C012689.06353.0487
5-O-Feruloylquinic acid3-O-Feruloylquinic acidME1035029799386C025720.79367.105
5-Oxo-1,2-campholide_15-Oxo-1,2-campholideME103503439864C0295210.68181.086
5-Oxo-1,2-campholide_25-Oxo-1,2-campholideME103504439864C0295211.27181.086
6-BenzylaminopurineCytokinin BME10350562389C1126313.32224.0923
7-Methyluric acid7-Methyluric acidME10350669160C163550.76181.0374
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME103507173C010928.34186.1125
8-Oxoguanine8-HydroxyguanineME10350865154C201552.52166.0361
9,12,13-TriHOME_19,12,13-TriHOMEME1035099858729C1483311.18329.2335
9,12,13-TriHOME_29,12,13-TriHOMEME1035109858729C1483311.79329.2335
9,12,13-TriHOME_39,12,13-TriHOMEME1035119858729C1483310.64329.2335
(9R,10R)-Dihydroxyoctadecanoic acid9,10-Dihydroxystearic acidME10343012235228C0831413.06315.2536
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid8R-HODEME1034315281117C0831815.34295.2279
Acetyl-maltoseAcetyl-maltoseME10351211349616C021303.65383.122
AdenineAdenineME103513190C001471.59134.0459
AL-321-ME103514194620C1730311.87354.1176
AllantoinAllantoinME103515204C015510.87157.0357
alpha-Oxo-benzeneacetic acidPhenylglyoxylic acidME10351611915C021379.21149.0233
AMPAMPME1035176083C000201.67346.0555
AnisatinAnisatinME103518115121C092949.5327.1082
ApioleApioleME10351910659C1042911.55221.0815
ArginineArginineME1035206322C000620.77173.1034
Aspulvinone HAspulvinone HME10352125245780C0200812.5431.1832
AucubinAucubinME10352291458C097718.9345.1187
Azelaic acidAzelaic acidME1035232266C082619.34187.0966
Bakkenolide ABakkenolide AME103524442173C0935014.33233.1542
BellendineBellendineME103525442996C1084612.12204.1021
Benzylpenicilloic acid-ME10352698994C166728.95351.1018
beta-Cymaropyranosebeta-CymaropyranoseME103527441417C082346.74161.0809
Bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME1035288343C0369012.92389.2695
Botrydial_1BotrydialME103529185781C0962212.3309.1712
Botrydial_2BotrydialME103530185781C0962212.63309.171
BowdichioneBowdichioneME1035315281705C1020210.27297.0379
CamoensineCamoensineME103532442946C107588.97229.1343
CefuroximeCefuroximeME1035335479529C068948.18423.0604
ChenodeoxycholateChenodeoxycholic acidME10353410133C0252812.36391.2859
Choline phosphateCholine phosphateME103535135437C005888.03183.0654
cis-1,2-Dihydro-3-ethylcatecholcis-1,2-Dihydro-3-ethylcatecholME103536441155C067278.05139.0753
cis-2-Carboxycyclohexyl-acetic acidcis-2-Carboxycyclohexyl-acetic acidME103537656884C141129.18185.081
CitrateCitric acidME103539311C001581.07191.0191
Coenzyme BCoenzyme BME1035405462265C046287.76342.0756
Coniferyl alcohol_1Coniferyl alcoholME1035411549095C0059011.26179.0702
Coniferyl alcohol_2Coniferyl alcoholME1035421549095C0059011.69179.0703
Coniferyl alcohol_3Coniferyl alcoholME1035431549095C0059010.68179.0703
CortolCortolME103544246873C0548213.09367.2486
CreatineCreatineME103545586C003000.99130.0609
Cucurbic acidCucurbic acidME1035465281159C0848212.23211.1334
Cyclic GMP-AMP-ME10354771563406C2064015.72673.0963
Cyclopiazonic acidalpha-Cyclopiazonic acidME10354854682463C0303210.98335.1398
CytidineCytidineME1035496175C004750.82242.0796
D-2-HydroxyisocaproateD-Leucic acidME103550439960C032647.93131.0702
D-Arabinono-1,4-lactoneD-Arabinono-1,4-lactoneME10355117723C006522.4147.0287
Dehydroepiandrosterone sulfateDehydroepiandrosterone sulfateME10355212594C0455510.69367.1585
DehydrovomifoliolDehydrovomifoliolME103553688492C0253311.69221.1176
D-Glucono-1,5-lactoneGluconolactoneME1035547027C001980.86177.0396
Dibutyl adipateDibutyl adipateME1035557784C1425312.13257.1757
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME10355697750C040677.97201.076
Dihydrolipoate(R)-Dihydrolipoic acidME103557421C021470.83207.0502
DisulfiramDisulfiramME1035583117C016923.35295.0426
DithranolAnthralinME1035592202C0683111.63225.0551
Dodecanedioic acidDodecanedioic acidME10356012736C0267811.11229.1441
D-RiboseRiboseME1035615779C001210.82149.0444
D-Xylonate_1Xylonic acidME1035625460056C005020.8165.0394
D-Xylonate_2Xylonic acidME1035635460056C0050214.02165.0398
D-Xylonate_3Xylonic acidME1035645460056C0050216.81165.0398
(E)-4-(Trimethylammonio)but-2-enoate_1Crotonic acid betaineME103432-C041146.43142.0861
(E)-4-(Trimethylammonio)but-2-enoate_2Crotonic acid betaineME103433-C041146.82142.0861
Enhydrin_1-ME1035655281441C0940511.47463.1613
Enhydrin_2-ME1035665281441C0940510.89463.1614
Ethyl 3-(N-butylacetamido)propionate-ME103569104150C188309.56214.1443
Ethyl(E,Z)-decadienoate-ME1035705281162C0848612.75195.1381
Ethyl (R)-3-hydroxyhexanoate_1Ethyl (R)-3-hydroxyhexanoateME103567440150C0386410.37159.1016
Ethyl (R)-3-hydroxyhexanoate_2Ethyl (R)-3-hydroxyhexanoateME103568440150C038649.82159.1016
Euparotin acetate_1Euparotin acetateME1035715281456C0943510.9417.1557
Euparotin acetate_2Euparotin acetateME1035725281456C0943511.34417.1557
FagomineFagomineME10357372259C101441.09146.0812
FenamiphosFenamiphosME10357431070C186590.84302.1006
FerimzoneFerimzoneME1035759013425C1857911.79253.1445
Ferrous lactate_1-ME10357622197C173821.3232.9746
Ferrous lactate_2-ME10357722197C173820.82232.9743
FurmecycloxFurmecycloxME10357843359C1891215.37250.1448
GemfibrozilGemfibrozilME1035793463C0702015.08249.1493
GLUCONIC ACIDGluconic acidME10358010690C002570.81195.0501
Glucose/Fructose [M+Cl]-HexoseME103581-C00293/C014960.79215.0321
GlutamineGlutamineME1035825961C003030.79145.0606
GlutarateGlutaric acidME103583743C004890.83131.0337
HippurateHippuric acidME103584464C015868.07178.0501
HistidineHistidineME1035856274C001350.75154.0609
Hydrocortisone caproateHydrocortisone caproateME103586107423C1342212.53459.272
Imazosulfuron-ME10358792433C1844313.88411.0321
IMPIMPME1035888582C001301.89347.0391
InosineInosineME1035896021C002946.28267.0736
KetoprofenKetoprofenME1035903825C017160.86253.0863
L-CysteateCysteic acidME10359172886C005060.78167.9961
Levetiracetam_1LevetiracetamME1035925284583C078416.43169.0974
Levetiracetam_2LevetiracetamME1035935284583C078416.8169.0974
L-Glutamate_1Glutamic acidME10359433032C000250.82146.0448
L-Glutamate_2Glutamic acidME10359533032C000251.47146.0448
LicheninLicheninME103596439241C004780.83161.0445
L-Leucine_1LeucineME1035976106C001232.77130.086
L-Leucine_2LeucineME1035986106C001232.41130.086
L-Methionine S-oxideMethionine sulfoxideME103599158980C029890.82164.0376
L-PhenylalaninePhenylalanineME1036006140C000796.45164.0708
L-Pipecolate_1Pipecolic acidME103601439227C004082.82128.0704
L-Pipecolate_2Pipecolic acidME103602439227C004081.98128.0724
L-Tyrosine methyl esterMethyl tyrosinateME10360370652C0340413.45194.0816
MalaoxonMalaoxonME10360415415C074981.31313.0514
MC-6063-ME10360539975C110697.77324.0101
(+)-Medicarpin-ME10342673067C017290.8269.0813
Methicillin sodium-ME10360623667627C139738.99419.0897
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME103607439447C0122310.4213.1127
MYO-INOSITOLMyo-inositolME103608892C001370.81179.0553
N-(3-Oxohexanoyl)homoserine lactoneN-(3-Oxo-hexanoyl)-homoserine lactoneME103609119133C1183911.62212.092
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME103610128888C039551.36203.103
N-Acetyl-L-citrullineN-AcetylcitrullineME103611656979C155320.88216.0985
N-Acetyl-L-leucine_1N-AcetylleucineME10361275619C027108.35172.0969
N-Acetyl-L-leucine_2N-AcetylleucineME10361375619C027107.83172.0969
N-AcetylornithineN-AcetylornithineME103614439232C004371.35173.092
N-Benzoyl-4-methoxyanthranilate-ME1036159548581C0420811.4270.0784
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME10361614349C037107.64208.0608
NeopterinNeopterinME1036174455C059260.86252.075
N-Formimino-L-glutamateFormiminoglutamic acidME103618439233C004391.19173.0559
Nifuradene-ME1036199568055C192720.79223.0455
N'-Phosphoguanidinoethyl methyl phosphate_1-ME103620440365C045032.38276.0176
N'-Phosphoguanidinoethyl methyl phosphate_2-ME103621440365C045032.74276.0176
N-Succinyl-LL-2,6-diaminoheptanedioateN-Succinyl-L,L-2,6-diaminopimelateME103622440333C044218.19289.1015
Oxaloglutarate_12-Oxaloglutaric acidME103623440718C055330.77203.0195
Oxaloglutarate_22-Oxaloglutaric acidME103624440718C055332.17203.018
Penicillin G_1Penicillin GME1036255904C055518.2333.0918
Penicillin G_2Penicillin GME1036265904C055519.37333.0918
Penicillin G_3Penicillin GME1036275904C055517.4333.0917
Phaseolic acidPhaseolic acidME1036285281786C104830.8295.0475
Phenisopham-ME10362994578C1906112.28341.1502
Phenylmercury acetate-ME10363016682730C111511.31337.0125
PhthalatePhthalic acidME1036311017C016068.27165.0182
Phytuberin_1PhytuberinME103632442387C0970912.89293.1759
Phytuberin_2PhytuberinME103633442387C0970912.24293.176
Phytuberin_3PhytuberinME103634442387C0970913.26293.1759
PimelatePimelic acidME103635385C026567.97159.0652
ProbenecidProbenecidME1036364911C0737212.43284.096
PS-5-ME103637196445C1737010.86297.0914
Pyraclonil-ME10363811563984C186136.21313.0975
PyridafenthionPyridaphenthionME1036398381C187627.76339.0576
PyridoxinePyridoxineME1036401054C003143.19168.0656
QuinalphosQuinalphosME10364126124C1103011.06297.0467
(R)-2-Hydroxystearate2-Hydroxystearic acidME10343421145040C0304214.56299.2591
(R)-5-Phosphomevalonate5-Phosphomevalonic acidME103435439400C0110710.5227.0344
RapanoneRapanoneME103642100659C1039914.55321.2101
RishitinRishitinME103643108064C0971514.11221.1541
RugosinoneRugosinoneME103644442350C0963412.47352.0834
Sebacic acidSebacic acidME1036455192C082779.97201.1125
SedoheptuloseGlucoheptuloseME103646102926C020760.87209.0662
Sinapyl alcoholSinapyl alcoholME1036475280507C023250.76209.0805
(S)-Malate_1Malic acidME103436222656C001492.33133.013
(S)-Malate_2Malic acidME103437222656C001491.26133.013
S-Sulfo-L-cysteineCysteine-S-sulfateME103648115015C058240.81199.9684
Suberic acid_1Suberic acidME10364910457C082788.68173.0811
Suberic acid_2Suberic acidME10365010457C082789.15173.0811
TaurineTaurineME1036511123C002450.76124.0062
TaurocholateTaurocholic acidME1036526675C051229.93514.2837
TaurodeoxycholateTaurodeoxycholic acidME1036532733768C0546310.52498.2895
TauropineTauropineME1036543082376C016160.84196.0279
TDEDDDME1036556294C066360.71316.9474
Threonate_1Threonic acidME1036565460407C016202.32135.0287
Threonate_2Threonic acidME1036575460407C016200.8135.0287
ThreonineThreonineME1036586288C001880.79118.0496
Thymyl acetate_1Thymol acetateME10365968252C0990912.71191.1068
Thymyl acetate_2Thymol acetateME10366068252C0990912.2191.1068
TolbutamideTolbutamideME1036615505C0714811.52269.097
Toluene-4-sulfonateToluene-4-sulfonic acidME10366285570C066777.45171.0112
Traumatic acidTraumatic acidME1036635283028C1630810.79227.1284
TriadimenolTriadimenolME10366441368C111277.79294.1017
Triethylene glycol diglycidyl ether-ME10366516058C195378.99261.1345
Trimetaphosphoric acid-ME103666510C024660.93238.8912
Triphosphate-ME103667-C005360.72256.9019
TryptophanTryptophanME1036686305C008067.76203.082
Tryptophan-2,3,3-D3TryptophanME103669--7.76206.1007
TyrosineTyrosineME1036706057C015363.65180.0658
UrateUric acidME1036711175C003662.11167.0202
UreidoacrylateUreidoacrylic acidME1036721751484C202541.96129.0309
Uridine_1UridineME1036736029C002993.05243.0618
Uridine_2UridineME1036746029C002991.61243.0617
ValineValineME1036756287C164361.22116.0703
VolkeninVolkeninME103676181811C0834412.6286.0924
XanthineXanthineME1036771188C003852.64151.0248
Zeatintrans-ZeatinME103678449093C003716.75218.1027
Zingerone_1ZingeroneME10367931211C1749710.43193.086
Zingerone_2ZingeroneME10368031211C1749712.81193.086


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