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Analysis: MS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME64712774300C02774--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64712894141C05284--
11-DEHYDROCORTICOSTERONE (*)11-DehydrocorticosteroneME64712913783449C05490--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME64712516219892CA1375--
1,2-DIPALMITOYL-SN-GLYCEROLDG 16:0_16:0ME647126644078CA1156--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME64713079034C08317--
[13C]-ARGININEArginineME6471126322C00062--
[13C]-ASPARTIC ACIDAspartic acidME6471135960C00049--
[13C]-GLUTAMATEGlutamic acidME647114-C00025--
[13C]-HISTIDINEHistidineME6471156274C00135--
[13C]-ISOLEUCINEIsoleucineME6471166306C00407--
[13C]-LEUCINELeucineME6471176106C00123--
[13C]-LYSINELysineME6471185962C00047--
[13C]-METHIONINEMethionineME6471196137C00073--
[13C]-PHENYLALANINEPhenylalanineME6471206140C00079--
[13C]-PROLINEProlineME647121145742C00148--
[13C]-THREONINEThreonineME6471226288C00188--
[13C]-TYROSINETyrosineME6471236057C00082--
[13C]-VALINEValineME6471246287C00183--
1-METHYLADENOSINE1-MethyladenosineME64713127476C02494--
1-METHYLNICOTINAMIDE1-Methyl nicotinamideME647132457C02918--
1-NAPHTHYLAMINE1-NaphthylamineME6471338640C14790--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6471345319879CA1373--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6471366990C03663--
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME64714453477807C15519--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME64713569371C03056--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME647145739CA1504--
2-AMINOPHENOL2-AminophenolME6471465801C01987--
2`-DEOXYADENOSINEDeoxyadenosineME64713713730C00559--
2`-DEOXYADENOSINE 5`-MONOPHOSPHATEdUMPME64713812599C00360--
2`-DEOXYCYTIDINEDeoxycytidineME64713913711C00881--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME647140150855C00705--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME647147439268C00586--
2-DEOXY-GLUCOSE / 6-DEOXY-GALACTOSE2-Deoxy-glucoseME647148439268C00586--
2`-DEOXYGUANOSINEDeoxyguanosineME647141187790C00330--
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEdGDPME647142439220C00361--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME64714365059C00362--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64714911266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64715011914C01983--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME64715112046CA1107--
2-METHYLMALEATECitraconic acidME647152643798C02226--
2-OXOADIPATEOxoadipic acidME64715371C00322--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6471547124C06325--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME647155873C01198--
3,3`,5-TRIIODO-L-THYRONINELiothyronineME6471585920C02465--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME647159258527CA1489--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64716072C00230--
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME6471616047C00355--
3,4-DIHYDROXYMANDELIC ACID3,4-Dihydroxymandelic acidME64716285782C07470--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME647163547C01161--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6471569378C03672--
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME647164123675CE6369--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6471669903C03990--
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE3beta-Hydroxy-5alpha-pregnan-20-oneME64716792787CA1234--
3`-CMP3'-CMPME64716566535C05822--
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*)3-(Cystein-S-yl)acetaminophenME647157171264M12016--
3-DEHYDROSHIKIMATE3-DehydroshikimateME647168439774C02637--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6471691662C03761--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME64717089C02794--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6471719307CA1364--
3-METHYLADENINE3-MethyladenineME6471721673C00913--
3-METHYLHISTAMINE3-MethylhistamineME64717369520C15526--
3-NITRO-L-TYROSINENitrotyrosineME647174235719CA1195--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME647175111CA1202--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME64717618189C02946--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME64717765138CA1491--
4-AMINOBUTANOATEgamma-Aminobutyric acidME647178119C00334--
4-COUMARATEcis-p-Coumaric acidME647179637542C00811--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME647180500C01035--
4-HYDROXY-3-METHOXY-BENZENEMETHANOL4-Hydroxy-3-methoxybenzenemethanolME64718162348C06317--
4-HYDROXY-3-METHOXYMANDELICVanillylmandelic acidME647182736172C05584--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME647183736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME64718410805CA1410--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME647185126C00633--
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME64718696215C02835--
4-METHYL-2-OXOPENTANOATEKetoleucineME64718770C00233--
4-METHYLCATECHOL4-MethylcatecholME6471889958C06730--
4-QUINOLINECARBOXYLIC ACID4-Quinolinecarboxylic acidME64718910243C06414--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME64719365110C04677--
5-Aminoimidazole ribotide (*)AIRME647192161500C03373--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME647194137C00430--
5`-DEOXYADENOSINE5'-DeoxyadenosineME647190439182C05198--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME647195439280C01017--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME64719678168C03088--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME64719725945C02804--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME647191439176C00170--
5-OXO-PROLINEPyroglutamic acidME647198499C01879--
5-VALEROLACTONE5-ValerolactoneME64719910953C02240--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME647200133246C00268--
6-HYDROXYDOPAMINE6-HydroxydopamineME6472014624CA1404--
6-HYDROXYNICOTINATE6-Hydroxynicotinic acidME64720272924C01020--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME64720391493C00345--
ACETYLCHOLINEAcetylcholineME647204187C01996--
ADENINEAdenineME647205190C00147--
ADENOSINEAdenosineME64720660961C00212--
ADENOSINE 2`,3`-CYCLIC MONOPHOSPHATE2',3' cyclic AMPME647207101812CA1486--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6472086076C00575--
ADENOSINE 5`-MONOPHOSPHATEAMPME6472096083C00020--
ADENOSINE 5`-MONOPHOSPHATE (*)AMPME6472106083C00020--
ADENOSINE DIPHOSPHATEADPME6472116022CA1496--
ALANINEAlanineME6472125950C01401--
ALLANTOINAllantoinME647213204C01551--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME64721451C00026--
ALPHA-LIPOAMIDELipoamideME647215863C00248--
ALPHA-TOCOPHEROLalpha-TocopherolME64721614985C02477--
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME647217-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME647218-CA1508--
ANANDAMIDEArachidonoyl-EAME6472195281969C11695--
ANTHRANILATE2-Aminobenzoic acidME647220227C00108--
ARG-VAL-TRPArg-Val-TrpME647221-CA1890--
ASCORBATEVitamin CME64722254670067C00072--
ASCORBATE (-H)Vitamin CME64722354670067C00072--
ASPARAGINEAsparagineME6472246267C16438--
ASPARTATEAspartic acidME6472255960C16433--
AZELAIC ACIDAzelaic acidME6472262266C08261--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME647227112072C01262--
BENZENEDICARBOXYLIC ACID-ME647228-CA1518--
BETAINEBetaineME647229247C00719--
BILIVERDINBiliverdinME6472305280353C00500--
BIOPTERINBiopterinME647231445040C06313--
BIOTINBiotinME647232171548C00120--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6472338343C03690--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME647234186004C01159--
BOC-ALA-OH-ME64723585082CA1333--
BOC-ASN-ME64723682035C01410--
BOC-ASP-OH-ME647237302432CA1350--
BOC-GLY-OH-ME64723878288CA1201--
BOC-HIS-OH-ME64723987308CA1336--
BOC-PHE-OH-ME64724077857CA1334--
BOC-PRO-OH-ME64724185083CA1335--
BOC-SER-OH-ME64724298766CA1423--
BRADYKININ (*)BradykininME647243439201C00306--
BRADYKININ DES-ARG(9) (*)BradykininME647244-M11998--
BRADYKININ HYDROXY-PRO(3) (*)BradykininME647245-M11999--
CADAVERINECadaverineME647246273C01672--
CALCITRIOL (*)1alpha,25-Dihydroxyvitamin D3ME6472475280453C01673--
CAPECITABINECapecitabineME64724860953C12650--
CARNITINECarnitineME647249288C00487--
CARNOSINECarnosineME647250439224C00386--
CERAMIDE PHOSPHOCHOLINE (*)SM 18:0;O2/22:1ME64725153481362C00550--
CHOLESTA-5,7-DIEN-3BETA-OL7-DehydrocholesterolME647252439423C01164--
CHOLESTEROLCholesterolME6472535997C00187--
CHOLESTEROL (-H20)CholesterolME6472545997C00187--
CHOLIC ACIDCholic acidME647255221493C00695--
CHOLINECholineME647256305C00114--
CINNAMOYLGLYCINE (*)CinnamoylglycineME647257709625M00022--
CITRAMALATECitramalic acidME6472581081C00815--
CITRATECitric acidME647259311C00158--
CITRULLINECitrullineME6472609750C00327--
COENZYME ACoenzyme AME64726187642C00010--
CORTICOSTERONECorticosteroneME6472625753C02140--
CORTISOLCortisolME6472635754C00735--
CORTISOL 21-ACETATECortisol 21-acetateME6472645744C02821--
CORTISONECortisoneME647265222786C00762--
COTININE (*)CotinineME647266408M12017--
CREATINECreatineME647267586C00300--
CREATININECreatinineME647268588C00791--
CREATININE FROM COMPLEXCreatinineME647269588C00791--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME64727010434C01066--
CYSTEIC ACIDCysteic acidME64727172886C00506--
CYSTEINECysteineME647272594C00736--
CYSTINECystineME647273595C01420--
CYTIDINECytidineME6472746175C00475--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME64727568934C02354--
CYTIDINE 5`-DIPHOSPHATECDPME6472766132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME64727713804C00307--
CYTIDINE 5`-MONOPHOSPHATECMPME6472786131C00055--
CYTOSINECytosineME647279597C00380--
DEHYDROASCORBATEDehydroascorbic acidME647280210328C00425--
DEOXYCARNITINE3-DehydroxycarnitineME647281725CA1059--
DEOXYCHOLATEDeoxycholic acidME647282222528C04483--
DEOXYCORTICOSTERONEDeoxy-corticosteroneME6472836166C14554--
DEOXYRIBOSEDeoxyriboseME6472849828112C01801--
DEOXYURIDINEDeoxyuridineME64728513712C00526--
DESMOSTEROLDesmosterolME647286439577C01802--
DETHIOBIOTINDethiobiotinME647287445027C01909--
D-GLUCONO-1,5-LACTONEGluconolactoneME6472887027C00198--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME647289-UP0027--
DIACYLGLYCEROPHOSPHOGLYCEROL (POSSIBLY)-ME647290-UP0037--
DIACYL-PHOSPHATIDYLCHOLINE-ME647291-UP0012--
DIETHANOLAMINEDiethanolamineME6472928113C06772--
DIETHYL AMINOMALONATEDiethyl aminomalonateME64729381272CA1488--
DIHEXOSE-ME647294-CA1495--
DIHYDROOROTATE4,5-Dihydroorotic acidME647295648C00337--
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME647296668C00111--
DIHYDROXYBENZOIC ACIDDihydroxybenzoic acidME647297-CA1515--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME647298-UP0002--
DIMETHYLARGININE (*)DimethylarginineME647300123831C03626--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME647301675C03114--
DIMETHYL MALEATEDimethyl maleateME64729912215CA1310--
DIMETHYLXANTHINE-ME647302185974CA1507--
DIOLEOYLPHOSPHATIDYLCHOLINEPC 18:1/18:1ME6473036437081Z02138--
DIPALMITOYLGLYCEROL (*)DG 16:0_16:0ME647304644078C00165--
DI-TERT-BUTYL DICARBONATETert-butoxycarbonyl anhydrideME64730590495CA1253--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME647306445580C06429--
DOPAMINEDopamineME647307681C03758--
EDTAEdetic acidME6473086049C00284--
EDTA (*)Edetic acidME6473096049C00284--
ENKEPHALINE, (D-ALA)2-LEU-ME647310-CA1037--
EPINEPHRINEEpinephrineME6473115816C00788--
ERYTHRITOLErythritolME647312222285C00503--
ESTRADIOL 17 ALPHAEstradiol-17alphaME64731368570C02537--
ESTRIOL (*)EstriolME6473145756C05141--
ESTRONEEstroneME6473155870C00468--
ETHYL 3-INDOLE ACETATEEthyl 3-indoleacetateME647316-CA1213--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME647317317638CA1342--
ETHYLMALONIC ACIDEthylmalonic acidME64731811756CA1366--
FERULATEtrans-Ferulic acidME647319445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME647320643975C00016--
FORMYL-L-METHIONINEN-FormylmethionineME6473216995182C03145--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME647322172313C00354--
GAMMA-BUTYROLACTONEgamma-ButyrolactoneME6473237302CA1420--
GDP-GLUCOSEGDP-glucoseME647324644106C00394--
GLUCARIC/GULARIC/SACCHARIC ACIDGlucaric acidME647325607C00818--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME647326439217C00352--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME64732772361CA1422--
GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME6473285958C00092--
GLUTAMINEGlutamineME6473295961C00303--
GLUTARATEGlutaric acidME647330743C00489--
GLUTATHIONEGlutathioneME647331124886C00127--
GLUTATHIONE OXIDIZEDGlutathioneME647332975C00127--
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETALGlyceraldehyde 3-phosphate diethyl acetalME647333-CA1402--
GLYCERIC ACIDGlyceric acidME647334439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME647335439162CA1512--
GLYCEROPHOSPHOCHOLINE (*)sn-Glycero-3-phosphocholineME647336657272C00670--
GLYCINEGlycineME647337750C00037--
GLYCOCHOLATEGlycocholic acidME64733810140C01921--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME64733916219441CA1349--
GTPGTPME6473406830C00044--
GUANINEGuanineME647341764C00242--
GUANOSINEGuanosineME6473426802C00387--
GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic GMPME64734324316C00942--
GUANOSINE 5`-DIPHOSPHATEGDPME6473458977C00035--
GUANOSINE 5` MONOPHOSPHATEGMPME6473446804C00144--
GULONO-1,4-LACTONED-GulonolactoneME647346165105C05410--
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)LPC 17:0ME64734753480465C04230--
HEXITOLSorbitolME647348453CA1510--
HEXOSEHexoseME647349206C01381--
HEXOSE (M+K)HexoseME647350206C00738--
HIPPURATEHippuric acidME647351464C01586--
HISTAMINEHistamineME647352774C00388--
HISTIDINEHistidineME6473536274C00768--
HISTIDINOLL-HistidinolME647354165271C00860--
HOMOCYSTEINEHomocysteineME647355778C05330--
HOMOCYSTINEHomocystineME64735610010C01817--
HOMOGENTISATEHomogentisic acidME647357780C00544--
HOMOSERINEHomoserineME64735812647C00263--
HOMOVANILLATEHomovanillic acidME6473591738C05582--
HYDROXYBENZALDEHYDEHydroxybenzaldehydeME6473606998CA1516--
HYPOXANTHINEHypoxanthineME647361790C00262--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME647362397C02693--
INDOLE-3-ACETIC ACIDIndoleacetic acidME647363802C00954--
INDOLEPYRUVATE (*)IndolepyruvateME647364803C00331--
INDOXYLIndoxylME64736550591C05658--
INOSINEInosineME6473666021C00294--
INOSINE 5`-MONOPHOSPHATEIMPME6473678582C00130--
ISOCITRIC ACIDIsocitric acidME6473681198C00311--
ISOLEUCINEIsoleucineME6473696306C16434--
KYNURENINEKynurenineME647370161166C01718--
LAUROYLCARNITINECAR 12:0ME64737110427569CA1406--
LEUCENOLMimosineME647372440473C04771--
LEUCINELeucineME6473736106C16439--
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:2ME6473745280646C04100--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6473751549100C00666--
L-LEUCYL-L-LEUCINE (*)Leu-LeuME64737694244C11332--
LUMICHROMELumichromeME6473775326566C01727--
LYSINELysineME6473785962C16440--
MALATEMalic acidME647379222656C00711--
MALEAMATEMaleamateME6473806971239C01596--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME647381439198C00275--
MELATONINMelatoninME647382896C01598--
METHIONINEMethionineME6473836137C01733--
METHYL ACETOACETATEMethylacetoacetic acidME6473847757CA1265--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME64738594214C03619--
METHYLGUANIDINEMethylguanidineME64738910111C02294--
METHYLIMIDAZOLEACETIC ACID (*)Methylimidazoleacetic acidME64739075810C05828--
METHYL JASMONATEMethyl jasmonateME6473865281929C11512--
METHYLMALONATEMethylmalonic acidME647391487C02170--
METHYL PARABENMethylparabenME6473877456CA1357--
METHYL VANILLATEMethyl vanillateME64738819844CA1479--
MEVALOLACTONEMevalolactoneME647392-CA1091--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME64739373917CA1015--
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)LPC 14:0ME647394460604C04230--
N1-ACETYLSPERMINEN1-AcetylspermineME647397916C02567--
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)N1-Methyl-2-pyridone-5-carboxamideME64739869698C05842--
N4-(ACETYL-BETA-D-GLUCOSAMINYL)ASPARAGINE (*)AspartylglycosamineME647399123826C04540--
N4-ACETYLCYTIDINE (*)N4-AcetylcytidineME647400107461M12019--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME64740192180C04083--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME64740224139CA1500--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME64740370914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME647404448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME647405439917C03137--
N-ACETYL-L-ALANINEN-AcetylalanineME64740688064CE1554--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64740765065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME64740812035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME64740975619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64741074839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME647411439197C00270--
N-ACETYLPUTRESCINEN-AcetylputrescineME647412122356C02714--
N-ACETYLSEROTONINN-AcetylserotoninME647413903C00978--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME647414-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME64741592907CA1219--
N-AMIDINO-L-ASPARTATEGuanidinosuccinic acidME647416439918C03139--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME64741714349C03710--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME64741813017C11519--
NICOTINAMIDENiacinamideME647419936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENADME64742010897651C00003--
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATENADPME6474215886C00006--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME64742214180C00455--
NICOTINATE D-RIBONUCLEOSIDE (*)D-RibosylnicotinateME647423161233C05841--
N-METHYLTYRAMINE (*)N-MethyltyramineME6474249727C02442--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME647396440120C03793--
N-OLEOYLGLYCINEN-Oleoyl glycineME6474256436908CA1254--
NORADRENALINEXi-NorepinephrineME647426951C00547--
NORMETANEPHRINENormetanephrineME6474271237CA1379--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME64739564969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME6474281C02571--
OCTOPAMINEOctopamineME647429440266C04227--
OLEAMIDEOleamideME6474305283387CA1223--
OLEOYLCARNITINE (*)CAR 18:1ME6474316441392M01433--
OLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:1ME6474325280634C03916--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME647433106CA1209--
O-PHOSPHONOHEXOPYRANOSE-ME647434-CA1494--
OPHTHALMIC ACIDOphthalmic acidME6474357018721CA1475--
ORNITHINEOrnithineME6474366262C01602--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME647437160617C01103--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME647438439406C01118--
OXOMALONATEMesoxalic acidME64743910132C00830--
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:1ME64744024779461M12010--
PALMITOYLCARNITINE (*)CAR 16:0ME64744211953816C02990--
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:0ME647443460602C04102--
PALMITOYL SPHINGOMYELIN (*)SM 18:1;O2/16:0ME6474419939941M12007--
PANTOLACTONEPantolactoneME647444439368C01012--
PANTOTHENIC ACIDPantothenic acidME647445988C00864--
PARAOXON-METHYLParaoxon-methylME64744613708CA1476--
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCERO...-ME647447-M00009--
PENTITOLArabitolME647448827CA1511--
PENTOPYRANOSEPentopyranoseME647449641630CA1493--
PHENYLACETIC ACIDPhenylacetic acidME647450999C07086--
PHENYLACETYLGLUTAMINE (*)alpha-N-PhenylacetylglutamineME64745192258C04148--
PHENYLALANINEPhenylalanineME6474526140C02057--
PHOSPHATEPhosphoric acidME6474531004C00009--
PHOSPHOCHOLINECholine phosphateME647455135437C00588--
PHOSPHOCREATINEPhosphocreatineME647456587C02305--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME6474541005C00074--
PHOSPHOETHANOLAMINEPhosphoethanolamineME6474571015C00346--
PHOSPHONOACETATEPhosphonoacetateME647458546C05682--
PHTHALATEPhthalic acidME6474591017C01606--
PIMELIC ACIDPimelic acidME647460385C02656--
PIPECOLIC ACIDPipecolic acidME647461849C00408--
PIPERINE (*)PiperineME647462638024C03882--
PREGNENOLONEPregnenoloneME6474638955C01953--
PROLINEProlineME647464145742C16435--
PROMETRYNPrometrynME6474654929CA1277--
PROTOPORPHYRINProtoporphyrinME6474664971C02191--
PTERINPterinME64746773000C00715--
PYRIDINE CARBOXYLIC ACID-ME647468-CA1509--
PYRIDOXALPyridoxalME6474691050C00250--
QUINATEQuinic acidME6474706508C00296--
QUINOLIN-2-OL2-HydroxyquinolineME6474716038C06338--
QUINOLINEQuinolineME6474727047C06413--
RAFFINOSERaffinoseME647473439242C00492--
RETINALRetinalME647474638015C00376--
RETINOATERetinoic acidME647475444795C00777--
RETINOLRetinolME647476445354C00473--
RIBOSE 5-PHOSPHATERibose 5-phosphateME647477439167C00117--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME647478123658C01182--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME647480439155C00021--
S-ADENOSYL METHIONINES-AdenosylmethionineME64747934755C00019--
SALICYLAMIDESalicylamideME6474815147CA1193--
SALICYLIC ACIDSalicylic acidME647482338C00805--
SALSOLINOLSalsolinolME64748354456C09642--
SELENOCYSTAMINESelenocystamineME647484115119CA1403--
SERINESerineME6474855951C00716--
SEROTONINSerotoninME6474865202C00780--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME64748797536C02886--
SHIKIMATEShikimic acidME6474888742C00493--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME647489657272C00670--
SORBIC ACIDSorbic acidME647490643460CA1411--
SPERMIDINESpermidineME6474911102C00315--
SPHINGANINESphinganineME64749291486C00836--
SPHINGOMYELIN (CATION)SM 18:0;O2/22:1ME64749353481362C00550--
SPHINGOSINE (*)SphingosineME6474945280335C00319--
SQUALENESqualeneME6474955280370C00751--
STACHYOSEStachyoseME647496439531C01613--
STEAROYL SPHINGOMYELIN (*)SM 18:1;O2/18:0ME6474976453725C00550--
SUBERIC ACIDSuberic acidME64749810457C08278--
SUCCINATESuccinic acidME6474991110C00042--
SUCCINATE (*)Succinic acidME6475001110C00042--
TAURINETaurineME6475011123C00245--
TAUROLITHOCHOLATETaurolithocholic acidME647502439763C02592--
TESTOSTERONETestosteroneME6475036013C00535--
THIAMINEThiamineME6475041130C00378--
THIAMINE MONOPHOSPHATEThiamine monophosphateME6475053382778C01081--
THIAMINE PYROPHOSPHATEThiamine diphosphateME6475061132C00068--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6475075778C03542--
THYMIDINEThymidineME6475085789C00214--
THYMIDINE-5`-DIPHOSPHO-GLUCOSEdTDP-glucoseME647509443210C00842--
THYMINEThymineME6475101135C00178--
THYROTROPIN RELEASING HORMONEThyrotropin releasing hormoneME647511638678C03958--
THYROXINEThyroxineME6475125819C01829--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME64751392886C03739--
TRIMETHYLAMINETrimethylamineME6475141146C00565--
TRYPTAMINETryptamineME6475151150C00398--
TRYPTOPHANTryptophanME6475166305C00806--
TRYPTOPHANAMIDETryptophanamideME647518439356C00977--
TRYPTOPHAN BETAINE (*)LenticinME647517442106C09213--
TYROSINETyrosineME6475196057C01536--
UDP-D-GLUCURONATEUDP-glucuronic acidME64752017473C00167--
URACILUracilME6475211174C00106--
URATEUric acidME6475221175C00366--
URATE (*)Uric acidME6475231175C00366--
UREAUreaME6475241176C00086--
URIDINEUridineME6475256029C00299--
URIDINE 5`-DIPHOSPHATEUDPME6475266031C00015--
URIDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINEUridine 5'-Diphospho-N-acetylgalactosamineME64752723724461C00203--
URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME647528445675---
URIDINE-5-MONOPHOSPHATEUMPME6475296030C00105--
UROBILIN (*)L-UrobilinME6475306433298C05793--
UROCANATEUrocanic acidME6475311549103C00785--
URSODIOLUrsodeoxycholic acidME64753231401C07880--
VALINEValineME6475336287C16436--
VITAMIN B12Vitamin B12ME64753416212801C05776--
VITAMIN D2Vitamin D2ME6475355280793C05441--
VITAMIN D3Vitamin D3ME64753610883523C05443--
XANTHINEXanthineME6475371188C00385--
XANTHOSINEXanthosineME64753864959C01762--
XANTHURENIC ACIDXanthurenic acidME6475395699C02470--


Analysis: MS negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64754894141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME64754716219892CA1375--
13(S)-HPODE (*)13S-HpODEME6475491426C04717--
15(S)-HETE (*)15S-HETEME6475505280724C04742--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6475516238C01176--
17BETA-HYDROXYANDROSTAN-3-ONE5alpha-DihydrotesosteroneME64755210635C03917--
1-AMINOCYCLOPROPANE-1-CARBOXYLATE1-Aminocyclopropanecarboxylic acidME647553535C01234--
1-HYDROXY-2-NAPHTHOATE1-Hydroxy-2-naphthoateME6475546844C03203--
1-METHYLADENOSINE1-MethyladenosineME64755527476C02494--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6475565319879CA1373--
2,3-DIPHOSPHO-D-GLYCERIC ACID2,3-Diphosphoglyceric acidME647557186004C01159--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6475596990C03663--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME64755869371C03056--
(2-AMINOETHYL)PHOSPHONATECiliatineME647540339C03557--
2-AMINOPHENOL2-AminophenolME6475665801C01987--
2-CARBOXY-2,3-DIHYDRO-5,6-DIHYDROXYINDOLE (*)LeucodopachromeME647567161255C05604--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME647560188966C00206--
2`-DEOXYADENOSINE 5`-TRIPHOSPHATEdATPME64756115993C00131--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME647562150855C00705--
2`-DEOXYCYTIDINE 5`-MONOPHOSPHATEdCMPME64756313945C00239--
2`-DEOXYURIDINE 5`-MONOPHOSPHATEdUMPME64756465063C00365--
2`-DEOXYURIDINE 5`-TRIPHOSPHATEUTPME6475656133C00460--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64756811266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64756911914C01983--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6475706038C06338--
2-HYDROXYSTEARATE (*)2-Hydroxystearic acidME647571439887C03045--
2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE (*)2-Oxo-3-hydroxy-4-phosphobutanoic acidME64757225245610C06054--
2-OXOADIPATEOxoadipic acidME64757371C00322--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME647574873C01198--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64757672C00230--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME647578547C01161--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME64757791528CA1222--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6475759378C03672--
3ALPHA,7ALPHA,12ALPHA,26-TETRAHYDROXY-5BETA-CHOLES...27-Deoxy-5beta-cyprinolME647579193321C05446--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6475809903C03990--
3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME647581123979K25632--
3-DEHYDROSHIKIMATE3-DehydroshikimateME647582439774C02637--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6475831662C03761--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME647584101C03067--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6475859307CA1364--
3-METHYL-2-OXINDOLE3-MethyloxindoleME647586150923CA1325--
3-METHYL-2-OXOBUTANOIC ACID (*)Ketoisovaleric acidME64758749C00141--
3-METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME64758847C03465--
3-METHYLADENINE3-MethyladenineME6475891673C00913--
3-NITRO-L-TYROSINENitrotyrosineME647590235719CA1195--
3-NITROPROPANOATEBovinocidinME6475911678C05669--
3-SULFINO-L-ALANINE3-Sulfino-alanineME6475921549098C00606--
4-(2-AMINOPHENYL)-2,4-DIOXOBUTANOATE (*)4-(2-Aminophenyl)-2,4-dioxobutanoic acidME647593472C01252--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME64759418189C02946--
4-AMINOBENZOATEp-Aminobenzoic acidME647595978C00568--
4-COUMARATEcis-p-Coumaric acidME647596637542C00811--
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME6475973845C01717--
4-HYDROXY-3-METHOXY-BENZENEMETHANOL4-Hydroxy-3-methoxybenzenemethanolME64759862348C06317--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME647599736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME64760010805CA1410--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME647601126C00633--
4-HYDROXY-L-PHENYLGLYCINE4-HydroxyphenylglycineME64760236143CA1445--
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME64760370C00233--
4-METHYL-2-OXOVALERIC ACIDKetoleucineME64760470C00233--
4-NITROPHENOL4-NitrophenolME647605980C00870--
4-PYRIDOXATE4-Pyridoxic acidME6476066723C00847--
4-VINYLPHENOL SULFATE (*)4-HydroxystyreneME64760762453C05627--
5,6-DIHYDROURACILDihydrouracilME647608649C00429--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME647610200CA1116--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME647611137C00430--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6476121826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME647613439280C00643--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME64761478168C03088--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME647609439176C00170--
5-OXO-PROLINEPyroglutamic acidME647615499C01879--
5-PHOSPHO-ALPHA-D-RIBOSEPhosphoribosyl pyrophosphateME6476167339C00119--
6-HYDROXYNICOTINATE6-Hydroxynicotinic acidME64761772924C01020--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME64761891493C00345--
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME64761953481411C17337--
ACETYLENEDICARBOXYLATEAcetylenedicarboxylateME647620371C03248--
ACONITATE (*)trans-Aconitic acidME647621444212C00417--
ADENINEAdenineME647622190C00147--
ADENOSINEAdenosineME64762360961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6476246076C00575--
ADENOSINE 5`-DIPHOSPHATEADPME6476256022C00008--
ADENOSINE-5`-DIPHOSPHOGLUCOSEADP-glucoseME64762816500C00498--
ADENOSINE 5`-MONOPHOSPHATEAMPME6476266083C00020--
ADENOSINE 5`-TRIPHOSPHATEATPME6476275957C00002--
ADIPIC ACIDAdipic acidME647629196CA1042--
ADP-RIBOSEADP-riboseME647630192C00301--
ALDOSTERONEAldosteroneME6476315839C01780--
ALLANTOINAllantoinME647632204C01551--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME64763351C00026--
ALPHA-TOCOPHEROL (*)alpha-TocopherolME64763414985C02477--
AMINOBUTANOIC ACIDAminobutyric acidME647635119CA1498--
AMINOHYDROXYBUTANOIC ACID-ME647636-CA1508--
AMINOPENTANOIC ACIDAminopentanoic acidME647637-CA1501--
AMINOPROPIONIC ACID / SARCOSINE-ME647638-CA1506--
ANANDAMIDEArachidonoyl-EAME6476395281969C11695--
ANDROSTERONE GLUCURONIDE (*)Androsterone 3-glucuronideME647640114833C11135--
ANDROSTERONE SULFATE (*)5alpha-Androstane-3alpha-ol-17-one sulfateME64764110634C04295--
ANILINE-2-SULFONIC ACID2-Aminobenzenesulfonic acidME6476426926CA1341--
ARACHIDIC ACIDArachidic acidME64764310467C06425--
ARACHIDONATEArachidonic acidME647644444899C00219--
ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)-ME647645-K22267--
ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)-ME647646-K24042--
ARGININEArginineME6476476322C02385--
ASPARAGINEAsparagineME6476486267C16438--
ASPARTATEAspartic acidME6476495960C16433--
AZELAIC ACIDAzelaic acidME6476502266C08261--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME647651112072C01262--
BENZOATEBenzoic acidME647652243C00180--
BENZOINBenzoinME6476538400C01408--
BILIVERDINBiliverdinME6476545280353C00500--
BIOTINBiotinME647655171548C00120--
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH-ME647656-CA1419--
BOC-ALA-OH-ME64765785082CA1333--
BOC-ASN-ME64765882035---
BOC-HIS-OH-ME64765987308CA1336--
BOC-MET-OH-ME647660111051CA1332--
BOC-PHE-OH-ME64766177857CA1334--
BOC-PRO-OH-ME64766285083CA1335--
BOC-SER-OH-ME64766398766CA1423--
[C13] METHIONINEMethionineME6475436137C01733--
[C13] PHENYLALANINEPhenylalanineME6475446140C02057--
[C13] TYROSINETyrosineME6475456057C01536--
[C13] VALINEValineME6475466287C00719--
CAPRYLIC ACIDCaprylic acidME647664379C06423--
CARNOSINECarnosineME647665439224C00386--
CHENODEOXYCHOLATEChenodeoxycholic acidME64766610133C02528--
CHOLATECholic acidME647667221493C00695--
CHOLESTEROL (*)CholesterolME6476685997C00187--
CHOLESTEROL SULFATECholesterol sulfateME64766965076CA1523--
CHOLINE PHOSPHATECholine phosphateME647670135437C00588--
CINNAMIC ACIDtrans-Cinnamic acidME6476715372954C10438--
CINNAMOYLGLYCINE (*)CinnamoylglycineME647672709625K24551--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6476735497181CA1260--
CITRATECitric acidME647674311C00158--
CITRULLINECitrullineME6476759750C00327--
CORTICOSTERONECorticosteroneME6476765753C02140--
CORTISOLCortisolME6476775754C00735--
CORTISOL 21-ACETATECortisol 21-acetateME6476785744C02821--
CORTISONECortisoneME647679222786C00762--
CREATINECreatineME647680586C00300--
CYCLOHEPTANECARBOXYLIC ACIDCycloheptanecarboxylic acidME64768115091C12104--
CYSTATHIONINECystathionineME647682439258C00542--
CYSTEIC ACIDCysteic acidME64768372886C00506--
CYSTINECystineME647684595C01420--
CYTIDINECytidineME6476856175C00475--
CYTIDINE 5`-DIPHOSPHATECDPME6476866132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME64768713804C00307--
CYTIDINE 5`-MONOPHOSPHATECMPME6476886131C00055--
CYTIDINE 5`-TRIPHOSPHATECTPME6476896176C00063--
CYTOSINECytosineME647690597C00380--
DECANOATECapric acidME6476912969C01571--
DEHYDROISOANDROSTERONE 3-SULFATEDehydroepiandrosterone sulfateME64769212594CA1407--
DEOXYRIBOSEDeoxyriboseME6476939828112C01801--
DEOXYURIDINEDeoxyuridineME64769413712C00526--
DETHIOBIOTINDethiobiotinME647695445027C01909--
D-GALACTOSAMINEGalactosamineME647696318324C02262--
DIETHYL 2-METHYL-3-OXOSUCCINATE4-Heptenal diethyl acetalME64769797750C04067--
DIHEXOSE-ME647698-CA1495--
DIHOMO-LINOLEATE (*)11Z,14Z-Eicosadienoic acidME6476996439848C16525--
DIHOMO-LINOLENATE (*)-ME6477006439848C03242--
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME647701668C00111--
DIMETHYLURATE (*)1,7-Dimethyluric acidME64770291611C16356--
DIMETHYLXANTHINE-ME647703185974CA1507--
DOCOSADIENOATE (*)Docosadienoic acidME6477045312554C16533--
DOCOSAPENTAENOATE (*)Docosapentaenoic acidME6477055497182C16513--
DODECANEDIOATE (*)Dodecanedioic acidME64770612736C02678--
DODECENOATE (*)Dodecenoic acidME647707-K23296--
EDTAEdetic acidME6477086049C00284--
ESTRONE GLUCURONIDE (*)Estrone 3-glucuronideME647709115255C11133--
ETHANOLAMINE PHOSPHATEPhosphoethanolamineME6477101015C00346--
FERULATEtrans-Ferulic acidME647711445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME647712643975C00016--
FOLIC ACIDFolic acidME6477136037C00504--
FORMYLANTHRANILATE (*)Formylanthranilic acidME647714101399C05653--
FORMYL-L-METHIONINEN-FormylmethionineME6477156995182C03145--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME647716172313C00354--
FUMARIC ACIDFumaric acidME647717444972C00122--
GAMMA-LINOLENIC ACIDgamma-Linolenic acidME6477185280933C06426--
GLUCONIC ACIDGluconic acidME64771910690C00257--
GLUCOSAMINATEGlucosaminic acidME64772073563C03752--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME647721439217C00352--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME64772272361CA1422--
GLUCURONOLACTONEGlucuronolactoneME647723439782C02670--
GLUTAMIC ACIDGlutamic acidME64772433032C00302--
GLUTAMINEGlutamineME6477255961C00303--
GLUTARATEGlutaric acidME647726743C00489--
GLUTATHIONE OXIDIZEDGlutathioneME647727975C00127--
GLUTATHIONE REDUCEDGlutathioneME647728124886C00051--
GLYCERIC ACIDGlyceric acidME647729439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME647730439162CA1512--
GLYCOCHOLATEGlycocholic acidME64773110140C01921--
GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)Glycodeoxycholic acidME64773222833539C05464--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME64773316219441CA1349--
GLYOXYLATEGlyoxylic acidME647734760C00048--
GUANIDINOACETATEGuanidoacetic acidME647735763C00581--
GUANOSINEGuanosineME6477366802C00387--
GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic GMPME64773724316C00942--
GUANOSINE 5`-DIPHOSPHATEGDPME6477398977C00035--
GUANOSINE 5`-DIPHOSPHO-D-MANNOSEGDP-mannoseME64774018396C00096--
GUANOSINE 5`-DIPHOSPHOGLUCOSEGDP-glucoseME647741644106C00394--
GUANOSINE 5` MONOPHOSPHATEGMPME6477386804C00144--
GUANOSINE 5`-TRIPHOSPHATEGTPME6477426830C00044--
GULONIC ACIDGulonic acidME647743152304C00800--
HEPTADECANOATEMargaric acidME64774410465CA1365--
HEPTADECENOATE (*)Heptadecenoic acidME647745-M05360--
HEPTANOIC ACIDHeptylic acidME6477468094CA1393--
HEXACOSANOIC ACIDCerotic acidME64774710469CA1352--
HEXADECANEDIOATE (*)Hexadecanedioic acidME64774810459C19615--
HEXANOATECaproic acidME6477498892C01585--
HEXITOLSorbitolME647750453CA1510--
HEXOSEHexoseME647751206C01381--
HIPPURATEHippuric acidME647752464C01586--
HYDROXYACETAMINOPHEN SULFATE (*)Hydroxyacetaminophen sulfateME647753-K24525--
HYDROXYDECANOATE (*)Hydroxydecanoic acidME647754-K21895--
HYDROXYISOVALERATE (*)-ME647755-K23382--
HYPOTAURINEHypotaurineME647756107812C00519--
HYPOXANTHINEHypoxanthineME647757790C00262--
INDICANIndicanME64775892769C08481--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME647759397C02693--
INDOLE-3-ACETIC ACIDIndoleacetic acidME647760802C00954--
INOSINEInosineME6477616021C00294--
INOSINE 5`-DIPHOSPHATEIDPME6477626831C00104--
INOSINE 5`-MONOPHOSPHATEIMPME6477638582C00130--
KYNURENINEKynurenineME647764161166C01718--
LACTATELactic acidME647765107689C01432--
LAURIC ACIDLauric acidME6477663893C02679--
LEUCENOLMimosineME647767440473C04771--
LEUKOTRIENE A4 (*)LTA4ME6477685280383C00909--
LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:2ME647769-K24671--
LUMICHROMELumichromeME6477705326566C01727--
LYSINELysineME6477715962C16440--
MALATEMalic acidME647772222656C00711--
MALEIMIDEMaleimideME64777310935C07272--
MALONATEMalonic acidME647774867C00383--
METHIONINEMethionineME6477756137C01733--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME64777694214C03619--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME64777774706CA1231--
METHYLMALONATEMethylmalonic acidME647778487C02170--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME64777973917CA1015--
MYO-INOSITOLMyo-inositolME647780892C00137--
MYRISTIC ACIDMyristic acidME64778111005C06424--
MYRISTOLEIC ACIDMyristoleic acidME6477825281119C08322--
N2-SUCCINYL-L-GLUTAMATE (*)N2-SuccinylglutamateME647786440847C05931--
N-ACETYL-D-GALACTOSAMINEN-AcetylgalactosamineME64778735717C01132--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME647788439281C03136--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME64778970914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME647790448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME647791439917C03137--
N-ACETYLGLYCINEN-AcetylglycineME64779210972CA1212--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64779365065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME64779412035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME64779575619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64779674839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME647797439197C00270--
NADPNADPME6477985886C00006--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME647799-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME64780092907CA1219--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME64780114349C03710--
N-BOC-D-GLUCOSAMINEGlucosamineME6478024108462CA1426--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6478037533CA1328--
N-ETHYLMALEIMIDEN-EthylmaleimideME6478044362C02441--
NICOTINAMIDENiacinamideME647805936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENADME64780610897651C00003--
N-METHYLTRYPTAMINEN-MethyltryptamineME6478076088C06213--
N,N`-DIACETYL-CYSTINE-ME647785-CA1519--
N-OLEOYLGLYCINEN-Oleoyl glycineME6478086436908CA1254--
NONADECANOATE / METHYLSTEARATE (*)Nonadecylic acidME64780912591C16535--
NONADECENOATE (*)Nonadecenoic acidME647810-C00174--
NONANOATEPelargonic acidME6478118158C01601--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME64778364969C01152--
N(PAI)-METHYL-L-HISTIDINE (*)3-MethylhistidineME64778464969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME6478121C02571--
O-ACETYL-L-SERINEO-AcetylserineME647813189C00979--
OCTADECANEDIOATE (*)Octadecanedioic acidME64781470095K26463--
OLEATEOleic acidME647815445639C00712--
OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:1ME647816-K21510--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME647817106CA1209--
O-PHOSPHO-L-SERINEPhosphoserineME64781868841C01005--
O-PHOSPHONOHEXOPYRANOSE-ME647819-CA1494--
OPHTHALMIC ACIDOphthalmic acidME6478207018721CA1475--
ORNITHINEOrnithineME6478216262C00515--
OROTATEOrotic acidME647822967C00295--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME647823160617C01103--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME647824439406C01118--
OXALATEOxalic acidME647825971C00209--
OXALOMALIC ACIDOxalomalic acidME647826439620C01990--
OXALOSUCCINATE (*)Oxalosuccinic acidME647827972C05379--
OXOMALONATEMesoxalic acidME64782810132C00830--
P-ACETAMIDOPHENYLGLUCURONIDE (*)p-AcetamidophenylglucuronideME6478294022661K23498--
PALMITATEPalmitic acidME647830985C00249--
PALMITOLEATE (*)Palmitoleic acidME647831445638C08362--
PALMITOLEIC ACIDPalmitoleic acidME647832445638C08362--
PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLA...-ME647833-K22338--
PALMITOYLGLYCEROPHOSPHOINOSITOL (*)LPI 16:0ME647834-K25208--
PANTOTHENIC ACIDPantothenic acidME647835988C00864--
PARAOXON-METHYLParaoxon-methylME64783613708CA1476--
PENTITOLArabitolME647837827CA1511--
PETROSELINIC ACID6-Octadecylenic acidME6478385281125C08363--
PHENYLACETALDEHYDEPhenylacetaldehydeME647839998C00601--
PHENYLACETATE (*)Phenyl acetateME647840999C07086--
PHENYLALANINEPhenylalanineME6478416140C02057--
PHENYLPYRUVATEPhenylpyruvic acidME647842997C00166--
PHOSPHATEPhosphoric acidME6478431004C00009--
PHOSPHOCREATINEPhosphocreatineME647845587C02305--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME6478441005C00074--
PHOSPHOETHANOLAMINEPhosphoethanolamineME6478461015C00346--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME647847724CA1497--
PHOSPHONOACETATEPhosphonoacetateME647848546C05682--
PHTHALATEPhthalic acidME6478491017C01606--
PHYTIC ACIDMyo-inositol hexakisphosphateME647850890C01204--
PIMELIC ACIDPimelic acidME647851385C02656--
PREGNENOLONEPregnenoloneME6478538955C01953--
PREGN STEROID MONOSULFATE (*)Pregnenolone sulfateME647852105074C18044--
PROLINEProlineME647854145742C16435--
PROSTAGLANDIN B1 (*)PGB1ME6478555280388C00959--
PROSTAGLANDIN E1 (*)PGE1ME6478565280723C04741--
PROSTAGLANDIN E3 (*)PGE3ME6478575280937C06439--
PROSTAGLANDIN F2 ALPHA (*)PGF2alphaME6478585280363C00639--
PROSTAGLANDIN G2 (*)PGG2ME6478595280883C05956--
PROSTAGLANDIN H2 (*)PGH2ME647860445049C00427--
PROTOPORPHYRINProtoporphyrinME6478614971C02191--
PTERINPterinME64786273000C00715--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6478641066C03722--
PYRIDINE CARBOXYLIC ACID-ME647863-CA1509--
PYRIDOXALPyridoxalME6478651050C00250--
PYRIDOXINEPyridoxineME6478661054C00314--
PYRUVATEPyruvic acidME6478671060C00022--
QUINATEQuinic acidME6478686508C00296--
RAC-GLYCEROL 1-MYRISTATEMG 14:0ME64786979050CA1370--
RAFFINOSERaffinoseME647870439242C00492--
RETINOATERetinoic acidME647871444795C00777--
RIBITOLRibitolME6478726912C00474--
RIBOSE 5-PHOSPHATERibose 5-phosphateME647873439167C00117--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME647874123658C01182--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME647875439155C00021--
SALICYLAMIDESalicylamideME6478765147CA1193--
SALICYLIC ACIDSalicylic acidME647877338CA1067--
SALICYLIC ACID (*)Salicylic acidME647878338C00805--
SALICYLURIC GLUCURONIDE (*)Salicyluric glucuronideME647879-K24500--
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME647880193653C03727--
(S)-DIHYDROOROTATE4,5-Dihydroorotic acidME647541648C00337--
SELENOMETHIONINESelenomethionineME64788115103C05335--
SERINESerineME6478825951C00716--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME64788397536C02886--
SHIKIMATEShikimic acidME6478848742C00493--
(S)-LACTATELactic acidME647542107689C00186--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME647885657272C00670--
SPHINGANINESphinganineME64788691486C00836--
STACHYOSEStachyoseME647887439531C01613--
STEARIDONATE (*)Stearidonic acidME6478885282837C16300--
STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:0ME647889-K22350--
SUBERIC ACIDSuberic acidME64789010457C08278--
SUCCINATESuccinic acidME6478911110C00042--
TARTARIC ACIDTartaric acidME647892444305C01534--
TAURINETaurineME6478931123C00245--
TAUROCHENODEOXYCHOLATE (*)Taurochenodeoxycholic acidME647894387316C05465--
TAUROCHOLATE (*)Taurocholic acidME6478956675C05122--
TAUROLITHOCHOLATETaurolithocholic acidME647896439763C02592--
TESTOSTERONETestosteroneME6478976013C00535--
TETRAHYDROFOLATETHFME6478985460413C00101--
THIAMINEThiamineME6478991130C00378--
THIAMINE MONOPHOSPHATEThiamine monophosphateME6479003382778C01081--
THIAMINE PYROPHOSPHATEThiamine diphosphateME6479011132C00068--
THREONATE (*)Threonic acidME647902151152C01620--
THYMIDINEThymidineME6479035789C00214--
THYMIDINE-5`-DIPHOSPHO-ALPHA-D-GLUCOSEdTDP-glucoseME647905443210C00842--
THYMIDINE 5`-MONOPHOSPHATETMPME64790412803287C00364--
THYMINEThymineME6479061135C00178--
THYROTROPIN RELEASING HORMONEThyrotropin releasing hormoneME647907638678C03958--
THYROXINEThyroxineME6479085819C01829--
TRICOSANOIC ACIDTricosylic acidME64790917085CA1269--
TRIDECANOIC ACIDTridecylic acidME64791012530CA1367--
TRYPTOPHAN (*)TryptophanME6479116305C00078--
TRYPTOPHANAMIDETryptophanamideME647912439356C00977--
URACILUracilME6479131174C00106--
URATEUric acidME6479141175C00366--
URIDINEUridineME6479156029C00299--
URIDINE 5`-DIPHOSPHATEUDPME6479166031C00015--
URIDINE 5`-DIPHOSPHOGLUCOSEUDP-glucoseME64791753477679C00029--
URIDINE 5`-DIPHOSPHOGLUCURONIC ACIDUDP-glucuronic acidME64791817473C00167--
URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME647919445675C00043--
URIDINE-5-MONOPHOSPHATEUMPME6479216030C00105--
URIDINE 5`-TRIPHOSPHATEUTPME6479206133C00075--
UROCANATEUrocanic acidME6479221549103C00785--
XANTHINEXanthineME6479231188C00385--
XANTHOSINEXanthosineME64792464959C01762--
XANTHOSINE 5`-MONOPHOSPHATEXMPME64792573323C00655--


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