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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-HYDROXYDECANOATE10-Hydroxydecanoic acidME65914874300C02774--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME65914994141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME659145-CA1375--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME65915079034C08317--
[13C]-ARGININEArginineME6595656322CA1719--
[13C]-ASPARTIC ACIDAspartic acidME6595665960CA1745--
[13C]-GLUTAMATEGlutamic acidME659567-CA1731--
[13C]-ISOLEUCINEIsoleucineME6595686306CA1831--
[13C]-LEUCINELeucineME6595696106CA1831--
[13C]-LYSINELysineME6595705962CA1684--
[13C]-METHIONINEMethionineME6595716137CA1790--
[13C]-PHENYLALANINEPhenylalanineME6595726140CA1855--
[13C]-PROLINEProlineME659573145742CA1754--
[13C]-THREONINEThreonineME6595746288CA1727--
[13C]-TYROSINETyrosineME6595756057CA1825--
[13C]-VALINEValineME6595766287CA1779--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6591516238C01176--
1-METHYLADENOSINE1-MethyladenosineME65914627476C02494--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6591475319879CA1373--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6591616990C03663--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME65915269371C03056--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME659153-CA1504--
2`-DEOXYADENOSINEDeoxyadenosineME65916213730C00559--
2`-DEOXYCYTIDINEDeoxycytidineME65916313711C00881--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME659154439268C00586--
2`-DEOXYGUANOSINEDeoxyguanosineME659164187790C00330--
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEdGDPME659522439220C00361--
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID2-Hydroxy-4-(methylthio)butanoic acidME65915511427CA1484--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME65915611266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME65915711914C01983--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME65915812046CA1107--
2-METHYLMALEATECitraconic acidME659159643798C02226--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6591607124C06325--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME659168873C01198--
3,3`,5-TRIIODO-L-THYRONINELiothyronineME6595235920C02465--
3,3`-DITHIODIVALINE3,3'-DithiodivalineME659524258527CA1489--
3,4-DICHLOROANILINE3,4-DichloroanilineME6595257257C02791--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME65916672C00230--
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME6591656047C00355--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME659167547C01161--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6591699378C03672--
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME659170979C01179--
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME659526123675CE6369--
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-...TetrahydrocortisolME6591725864CA1235--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6591829903C03990--
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE3beta-Hydroxy-5alpha-pregnan-20-oneME65918392787CA1234--
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*)3-(Cystein-S-yl)acetaminophenME659171-K10359--
3-DEHYDROCARNITINE3-DehydrocarnitineME6591736991982C02636--
3-DEHYDROSHIKIMATE3-Dehydroshikimic acidME659174439774C02637--
3`-DEPHOSPHO COA3'-Dephospho-CoAME659184444485C00882--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6591751662C03761--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME65917786C00632--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME65917689C02794--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6591789307CA1364--
3-METHOXYTYRAMINE3-MethoxytyramineME6591791669C05587--
3-METHYL-2-OXINDOLE3-MethyloxindoleME659180150923CA1325--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME659181111CA1202--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME65918518189C02946--
4-AMINOBENZOATEp-Aminobenzoic acidME659186978C00568--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME65918765138CA1491--
4-COUMARATEcis-p-Coumaric acidME659188637542C00811--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME659189500C01035--
4-HYDROXY-3-METHOXYMANDELICVanillylmandelic acidME659190736172C05584--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME659191736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME65919210805CA1410--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME659193126C00633--
4-METHYL-2-OXOPENTANOATEKetoleucineME65919470C00233--
4-METHYLCATECHOL4-MethylcatecholME6591959958C06730--
4-NITROCATECHOL4-NitrocatecholME6595273505109C02235--
4-NITROPHENYL PHOSPHATE4-Nitrophenyl phosphateME659196378C03360--
4-PYRIDOXATE4-Pyridoxic acidME6591976723C00847--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME65952865110C04677--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME659198137C00430--
5`-DEOXYADENOSINE5'-DeoxyadenosineME659205439182C05198--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6592001826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME659199439280C01017--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME65920178168C03088--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME65920225945C02804--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME659206439176C00170--
5-OXO-PROLINEPyroglutamic acidME659203499C01879--
5-VALEROLACTONE5-ValerolactoneME65920410953C02240--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME659207133246C00268--
6-HYDROXYDOPAMINE6-HydroxydopamineME6592084624CA1404--
7-AMINOCEPHALOSPORANIC ACID7-Aminocephalosporanic acidME659209441328C07756--
ACENAPHTHENEQUINONEAcenaphthenequinoneME6595296724C02807--
ACETOACETATEAcetoacetic acidME65953096C00164--
ADENOSINEAdenosineME65921060961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6592116076C00575--
ADENOSINE 5`-MONOPHOSPHATEAMPME6592126083C00020--
ADENOSINE 5`-MONOPHOSPHATE (*)AMPME6592136083C00020--
ALANINEAlanineME6592145950C01401--
ALLANTOINAllantoinME659215204C01551--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME65921651C00026--
ALPHA-LIPOAMIDELipoamideME659217863C00248--
ALPHA-TOCOPHEROLalpha-TocopherolME65921814985C02477--
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME659219-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME659220-CA1508--
ANILINEAnilineME6592216115C00292--
ANTHRANILATE2-Aminobenzoic acidME659222227C00108--
ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*)LPC 20:4ME659223-C05208--
ARG-VAL-TRPArg-Val-TrpME659224-CA1890--
ASCORBATEVitamin CME65922554670067C00072--
ASPARAGINEAsparagineME6592266267C16438--
ASPARTATEAspartic acidME6592275960C16433--
AZELAIC ACIDAzelaic acidME6592282266C08261--
BENZENEDICARBOXYLIC ACID-ME659229-CA1518--
BENZOINBenzoinME6592308400C01408--
BETAINEBetaineME659231247C00719--
BILIVERDINBiliverdinME6592325280353C00500--
BIOPTERINBiopterinME659233445040C06313--
BIOTINBiotinME659234171548C00120--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6592358343C03690--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME659236186004C01159--
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH-ME659531-CA1419--
BOC-ALA (+NA)-ME659237-CA1333--
BOC-ALA-OH-ME659238-CA1333--
BOC-ASN-ME65923982035C01410--
BOC-ASP-OH-ME659240-CA1350--
BOC-GLY-OH-ME659241-CA1201--
BOC-HIS-OH-ME659242-CA1336--
BOC-LYS-OH-ME659243-CA1424--
BOC-PHE-OH-ME659244-CA1334--
BOC-PRO-OH-ME659245-CA1335--
BOC-SER-OH-ME659246-CA1423--
BRADYKININ (*)BradykininME659247439201C00306--
BRADYKININ DES-ARG(9) (*)BradykininME659248439201C00306--
BRADYKININ HYDROXY-PRO(3) (*)BradykininME659249439201C00306--
BUTYRYLCARNITINE (*)CAR 4:0ME659250213144K07954--
CADAVERINECadaverineME659252273C01672--
CAFFEINECaffeineME6592532519C07481--
CAPECITABINECapecitabineME65925460953C12650--
CARNOSINECarnosineME659255439224C00386--
C-GLYCOSYLTRYPTOPHAN (*)C-GlycosyltryptophanME659251-K87470--
CHOLIC ACIDCholic acidME659256221493C00695--
CINNAMOYLGLYCINE (*)CinnamoylglycineME659257-K88537--
CINNAMOYLGLYCINE (*)CinnamoylglycineME659258709625K10610--
CIS-4-DECENOYL CARNITINE (*)CAR 10:1ME65925957357170K09179--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6592605497181CA1260--
CIS-ACONITATEcis-Aconitic acidME659261643757C00417--
CITRAMALATECitramalic acidME6592621081C00815--
CITRATECitric acidME659263311C00158--
CITRULLINECitrullineME6592649750C00327--
CORTICOSTERONECorticosteroneME6592655753C02140--
CORTISOLCortisolME6592665754C00735--
CORTISOL 21-ACETATECortisol 21-acetateME6592675744C02821--
CORTISONECortisoneME659268222786C00762--
COTININE (*)CotinineME659269408K10998--
CREATINECreatineME659270586C00300--
CREATININECreatinineME659271588C00791--
CREATININE FROM COMPLEXCreatinineME659272588C00791--
CYCLOHEX-1-ENECARBOXYLIC ACIDCyclohex-1-enecarboxylic acidME65927369470C12101--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME65927410434C01066--
CYSTEINECysteineME659275594C00736--
CYSTINECystineME659276595C01420--
CYTIDINECytidineME6592776175C00475--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME65927813804C00307--
CYTOSINECytosineME659279597C00380--
DECANOYLCARNITINE (*)CAR 10:0ME65928111953821K10936--
DEOXYCHOLATEDeoxycholic acidME659282222528C04483--
DEOXYCORTICOSTERONEDeoxy-corticosteroneME6592836166C14554--
DEOXYRIBOSEDeoxyriboseME6592849828112C01801--
DETHIOBIOTINDethiobiotinME659285445027C01909--
D-GLUCONO-1,5-LACTONEGluconolactoneME6592807027C00198--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME659289-UP0027--
DIACYLGLYCEROPHOSPHOGLYCEROL (*)-ME659291-K00037--
DIACYL-PHOSPHATIDYLCHOLINE-ME659290-UP0012--
DIETHANOLAMINEDiethanolamineME6592928113C06772--
DIETHYL AMINOMALONATEDiethyl aminomalonateME65929381272CA1488--
DIHEXOSE-ME659294-CA1495--
DIHYDROFOLATEDihydrofolic acidME65929598792C00415--
DIHYDROOROTATE4,5-Dihydroorotic acidME659296648C00337--
DIHYDROXYBENZOIC ACIDDihydroxybenzoic acidME659297-CA1515--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME659286-UP0002--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY)-ME659287-UP0013--
DIMETHYLARGININE (*)DimethylarginineME659299123831C03626--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME659300675C03114--
DIMETHYLGUANOSINE (*)DimethylguanosineME659301-K09146--
DIMETHYL MALEATEDimethyl maleateME65929812215CA1310--
DIMETHYLXANTHINE-ME659302-CA1507--
DIMETHYLXANTHINE (*)-ME659303-CA1507--
DIOLEOYLPHOSPHATIDYLCHOLINEPC 18:1/18:1ME659304-Z02138--
DIPALMITOYLGLYCEROL (*)DG 16:0_16:0ME659305644078C00165--
DI-TERT-BUTYL DICARBONATETert-butoxycarbonyl anhydrideME65928890495CA1253--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME659306445580C06429--
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*)LPE 22:6ME659307-K09469--
DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE (*)-ME659308-K01455--
DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINELPC 22:5ME659309-K08312--
EDTAEdetic acidME6593106049C00284--
EDTA (*)Edetic acidME6593116049C00284--
EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*)-ME659312-K08397--
ENKEPHALINE, (D-ALA)2-LEU-ME659313-CA1037--
EPINEPHRINEEpinephrineME6593145816C00788--
ERYTHRITOLErythritolME659315222285C00503--
ESTRADIOL 17 ALPHAEstradiol-17alphaME65931668570C02537--
ESTRONEEstroneME6593175870C00468--
ETHANOLAMINEEthanolamineME659318700C00189--
ETHYL 3-INDOLE ACETATEEthyl 3-indoleacetateME659319-CA1213--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME659320317638CA1342--
ETHYLMALONIC ACIDEthylmalonic acidME65932111756CA1366--
FERULATEtrans-Ferulic acidME659322445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME659323643975C00016--
FOLIC ACIDFolic acidME6593246037C00504--
FORMYL-L-METHIONINEN-FormylmethionineME6593256995182C03145--
GAMMA-BUTYROLACTONEgamma-ButyrolactoneME6593267302CA1420--
GAMMA-GLUTAMYLISOLEUCINE (*)gamma-GlutamylisoleucineME65932714253342K09236--
GAMMA-GLUTAMYLMETHIONINE (*)gamma-GlutamylmethionineME659328-K08579--
GAMMA-GLUTAMYLPHENYLALANINE (*)gamma-GlutamylphenylalanineME659329111299K08879--
GAMMA-GLUTAMYLTYROSINE (*)gamma-GlutamyltyrosineME65933094340K14770--
GLUCARIC/GULARIC/SACCHARIC ACIDGlucaric acidME659532607C00818--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME659331439217C00352--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME65953372361CA1422--
GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME6595345958C00092--
GLUTAMIC ACIDGlutamic acidME65933233032C00302--
GLUTAMINEGlutamineME6593335961C00303--
GLUTARATEGlutaric acidME659334743C00489--
GLUTAROYL CARNITINE (*)CAR DC5:0ME65933553481622K09042--
GLUTATHIONEGlutathioneME659336124886C00051--
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETALGlyceraldehyde 3-phosphate diethyl acetalME659337-CA1402--
GLYCERIC ACIDGlyceric acidME659338439194C00258--
GLYCEROPHOSPHORYLCHOLINE (*)sn-Glycero-3-phosphocholineME659339657272C00670--
GLYCINEGlycineME659340750C00037--
GLYCOCHOLATEGlycocholic acidME65934110140C01921--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME659342-CA1349--
GUANINEGuanineME659343764C00242--
GUANOSINEGuanosineME6593446802C00387--
GUANOSINE 5`-DIPHOSPHATEGDPME6593458977C00035--
GULONO-1,4-LACTONED-GulonolactoneME659346165105C05410--
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)LPC 17:0ME65934753480465C04230--
HEXOSEHexoseME659348206C01381--
HEXOSE (*)HexoseME659349206C00159--
HEXURONIC ACIDHexuronic acidME659535152867CA1503--
HIPPURATEHippuric acidME659350464C01586--
HISTIDINEHistidineME6593516274C00768--
HISTIDINE (*)HistidineME6593526274C00135--
HOMOCYSTINEHomocystineME65953610010C01817--
HOMOGENTISATEHomogentisic acidME659353780C00544--
HOMOSERINEHomoserineME65935412647C00263--
HOMOSTACHYDRINE (*)(S)-HomostachydrineME659355441447C08283--
HOMOVANILLATEHomovanillic acidME6593561738C05582--
HYDROQUINONEHydroquinoneME659357785C00530--
HYDROXYBENZALDEHYDEHydroxybenzaldehydeME6593586998CA1516--
HYDROXYBENZOIC ACIDHydroxybenzoic acidME659359135CA1517--
HYDROXYPHENYLACETIC / MANDELIC ACID2-Hydroxyphenylacetic acidME65953711914CA1513--
HYPOXANTHINEHypoxanthineME659360790C00262--
INDOLE-3-ACETALDEHYDEIndoleacetaldehydeME659361800C00637--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME659362397C02693--
INDOLE-3-ACETIC ACIDIndoleacetic acidME659363802C00954--
INDOLE-3-ETHANOLTryptophanolME65936410685C00955--
INDOXYLIndoxylME65936550591C05658--
INOSINEInosineME6593666021C00294--
INOSINE 5`-DIPHOSPHATEIDPME6593676831C00104--
INOSINE 5`-MONOPHOSPHATEIMPME6593688582C00130--
ISOCITRIC ACIDIsocitric acidME6593691198C00311--
ISOLEUCINEIsoleucineME6595386306C16434--
ISOVALERYLCARNITINE (*)CAR 4:0;3MeME6593706426851K08149--
ITACONATEItaconic acidME659539811C00490--
KYNURENIC ACIDKynurenic acidME6593713845C01717--
KYNURENINEKynurenineME659372161166C01718--
LAUROYLCARNITINECAR 12:0ME65937310427569CA1406--
LEUCENOLMimosineME659374440473C04771--
LEUCINELeucineME6593756106C16439--
LEUCYLPHENYLALANINE (*)Leu-PheME6593766992310K87920--
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:2ME659377-K02239--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6593781549100C00666--
LUMICHROMELumichromeME6593795326566C01727--
LYSINELysineME6593805962C16440--
MALATEMalic acidME659381222656C00711--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME659540439198C00275--
MELATONINMelatoninME659382896C01598--
METHIONINEMethionineME6593836137C01733--
METHIONYLALANINE (*)Met-AlaME6593847009581K13270--
METHYL ACETOACETATEMethylacetoacetic acidME6593857757CA1265--
METHYLGLUTAROYLCARNITINE (*)CAR DC5:0;3MeME659389-K11239--
METHYLGUANIDINEMethylguanidineME65939010111C02294--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME65938674706CA1231--
METHYL JASMONATEMethyl jasmonateME6593875281929C11512--
METHYLMALONATEMethylmalonic acidME659391487C02170--
METHYL PARABENMethylparabenME6593887456CA1357--
METHYLXANTHINE (*)MethylxanthineME65939268374C16353--
MEVALOLACTONEMevalolactoneME659393-CA1091--
MONO-ETHYL MALONATEMonoethyl malonic acidME65939470615CA1417--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME65939573917CA1015--
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)LPC 14:0ME659396460604C04230--
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)N1-Methyl-2-pyridone-5-carboxamideME65942069698C05842--
N4-ACETYLCYTIDINE (*)N4-AcetylcytidineME659421107461K11647--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME65942292180C04083--
N-ACETYL-D-GALACTOSAMINEN-AcetylgalactosamineME65939935717C01132--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME659400-CA1500--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME65940270914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME659403448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME659401439917C03137--
N-ACETYLGLYCINEN-AcetylglycineME65940910972CA1212--
N-ACETYL-L-ALANINEN-AcetylalanineME65940488064CE1554--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME65940565065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME65940612035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME65940775619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME65940874839C03519--
N-ACETYLPUTRESCINEN-AcetylputrescineME659410122356C02714--
N-ACETYLSEROTONINN-AcetylserotoninME659411903C00978--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME659412-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME65941392907CA1219--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME65941414349C03710--
N-BOC-D-GLUCOSAMINEGlucosamineME659415-CA1426--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME65941613017C11519--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6594177533CA1328--
N-ETHYLMALEIMIDEN-EthylmaleimideME6594184362C02441--
N-FORMYLGLYCINEN-FormylglycineME65954175606CA1268--
NICOTINAMIDENiacinamideME659423936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENADME65954210897651C00003--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME659543440334C04423--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME659544123953C13051--
N-NITROSODIETHANOLAMINEN-NitrosodiethanolamineME65941914223CA1477--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME659398440120C03793--
NORMETANEPHRINENormetanephrineME6594241237CA1379--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME65939764969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME6594251C02571--
OCTANOYLCARNITINE (*)CAR 8:0ME659428123701C02838--
OLEAMIDEOleamideME6594295283387CA1223--
OLEOYLCARNITINE (*)CAR 18:1ME6594306441392K88838--
OLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:1ME6594315280634C03916--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME659426106CA1209--
O-PHOSPHONOHEXOPYRANOSE-ME659427-CA1494--
OPHTHALMIC ACIDOphthalmic acidME6594327018721CA1475--
ORNITHINEOrnithineME6594336262C01602--
OXOMALONATEMesoxalic acidME65943410132C00830--
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:1ME659437-K09130--
PALMITOYLCARNITINE (*)CAR 16:0ME65943911953816C02990--
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:0ME659440460602C04102--
PALMITOYL SPHINGOMYELIN (*)SM 18:1;O2/16:0ME6594389939941K08639--
PANTOLACTONEPantolactoneME659441439368C01012--
PANTOTHENIC ACIDPantothenic acidME659442988C00864--
PARAOXON-METHYLParaoxon-methylME65944313708CA1476--
P-BENZOQUINONEQuinoneME6594354650CA1285--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME65943685681CA1463--
PENICILLAMINEPenicillamineME6594444727C07418--
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCERO...-ME659445-K08217--
PENTITOLArabitolME659446827CA1511--
PENTOPYRANOSEPentopyranoseME659447641630CA1493--
PHENETHYLAMINEPhenylethylamineME6594481001C05332--
PHENYLACETIC ACIDPhenylacetic acidME659449999C07086--
PHENYLACETYLGLUTAMINE (*)alpha-N-PhenylacetylglutamineME65945092258C05597--
PHENYLALANINEPhenylalanineME6594516140C02057--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME6594521000C02735--
PHENYLPYRUVATEPhenylpyruvic acidME659545997C00166--
PHOSPHATEPhosphoric acidME6594531004C00009--
PHOSPHOCHOLINECholine phosphateME659454135437C00588--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME6595461005C00074--
PHOSPHOETHANOLAMINEPhosphoethanolamineME6595471015C00346--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME659548724CA1497--
PHOSPHONOACETATEPhosphonoacetic acidME659455546C05682--
PHTHALATEPhthalic acidME6594561017C01606--
PIMELIC ACIDPimelic acidME659457385C02656--
PIPECOLIC ACIDPipecolic acidME659458849C00408--
PIPERINE (*)PiperineME659459638024C03882--
POSSIBLE L-LEUCYL-L-LEUCINE-ME659460-U03237--
PREGNENOLONEPregnenoloneME6594618955C01953--
PROGESTERONEProgesteroneME6594635994C00410--
PRO-HYDROXY-PRO (*)Pro-hydroxyProME65946211902892K96372--
PROLINEProlineME659464145742C16435--
PROMETRYNPrometrynME6594654929CA1277--
PROPIONYLCARNITINE (*)CAR 3:0ME659466188824C03017--
PTERINPterinME65946773000C00715--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6595491066C03722--
PYRIDINE CARBOXYLIC ACID-ME659468-CA1509--
PYRIDOXALPyridoxalME6594691050C00250--
PYRIDOXAMINEPyridoxamineME6594701052C00534--
PYRIDOXINEPyridoxineME6594711054C00314--
PYROGLUTAMINE (*)PyroglutamineME659472134508K01750--
QUINATEQuinic acidME6594736508C00296--
QUINOLIN-2-OL2-HydroxyquinolineME6594746038C06338--
RAFFINOSERaffinoseME659475439242C00492--
RETINALRetinalME659476638015C00376--
RETINOATERetinoic acidME659477444795C00777--
RETINOLRetinolME659478445354C00473--
RIBOFLAVINRiboflavinME659479493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME659480439167C00117--
ROSMARINIC ACIDRosmarinic acidME6594815281792C10489--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME659483439155C00021--
S-ADENOSYL METHIONINES-AdenosylmethionineME65948234755C00019--
SALICYLIC ACIDSalicylic acidME659485338C00805--
SALSOLINOLSalsolinolME65948654456C09642--
SELENOCYSTAMINESelenocystamineME659487-CA1403--
SEROTONINSerotoninME6594885202C00780--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME65948497536C02886--
SHIKIMATEShikimic acidME6594898742C00493--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME659490657272C00670--
SORBIC ACIDSorbic acidME659491643460CA1411--
SPERMIDINESpermidineME6594921102C00315--
SPERMINESpermineME6594931103C00750--
SPHINGANINESphinganineME65949491486C00836--
SPHINGOMYELINSM 18:1;O2/18:0ME65949553481362C00550--
SPHINGOMYELIN (CATION)SM 18:0;O2/22:1ME65949653481362C00550--
SQUALENESqualeneME6594975280370C00751--
STACHYOSEStachyoseME659498439531C01613--
STEARAMIDE (*)StearamideME65949931292C13846--
STEAROYLCARNITINE (*)CAR 18:0ME65950152922056K08129--
STEAROYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:0ME659502-K08377--
STEAROYL SPHINGOMYELIN (*)SM 18:1;O2/18:0ME6595006453725C00550--
SUBERIC ACIDSuberic acidME65950310457C08278--
SUCCINATE (*)Succinic acidME6595041110C00042--
TAURINETaurineME6595051123C00245--
TESTOSTERONETestosteroneME6595066013C00535--
THEOPHYLLINETheophyllineME6595072153C07130--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6595085778C03542--
THREONINE (*)ThreonineME6595096288CA1381--
THYMIDINEThymidineME6595105789C00214--
THYROXINEThyroxineME6595115819C01829--
TIGLYL CARNITINE (*)CAR 4:1;2MeME65951222833596K08128--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME65951392886C03739--
TRIGONELLINETrigonellineME6595145570C01004--
TRIMETHYLAMINETrimethylamineME6595151146C00565--
TRYPTAMINETryptamineME6595161150C00398--
TRYPTOPHANTryptophanME6595176305C00806--
TRYPTOPHANAMIDETryptophanamideME659519439356C00977--
TRYPTOPHAN BETAINE (*)LenticinME659518442106C09213--
TYROSINETyrosineME6595206057C01536--
TYROSINE (*)TyrosineME6595216057C00082--
URATEUric acidME6595501175C00366--
URATE (*)Uric acidME6595511175C00366--
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE-ME659552-CA1401--
UREAUreaME6595531176C00086--
URIDINEUridineME6595546029C00299--
URIDINE 5`-DIPHOSPHATEUDPME6595556031C00015--
UROCANATEUrocanic acidME6595561549103C00785--
URSODIOLUrsodeoxycholic acidME65955731401C07880--
VALINEValineME6595586287C16436--
VALINE (*)ValineME6595596287C00183--
VITAMIN D2Vitamin D2ME6595605280793C05441--
VITAMIN D3Vitamin D3ME65956110883523C05443--
XANTHINEXanthineME6595621188C00385--
XANTHOSINEXanthosineME65956364959C01762--
XANTHURENIC ACIDXanthurenic acidME6595645699C02470--


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
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME65958194141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME659579-CA1375--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6595826238C01176--
17BETA-HYDROXYANDROSTAN-3-ONE5alpha-DihydrotesosteroneME65958310635C03917--
1-AMINOCYCLOPROPANE-1-CARBOXYLATE1-Aminocyclopropanecarboxylic acidME659580535C01234--
2,3,5,6-TETRACHLOROPHENOL2,3,5,6-TetrachlorophenolME65958413636C15505--
2,3-DIPHOSPHO-D-GLYCERIC ACID2,3-Diphosphoglyceric acidME659585186004C01159--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6595946990C03663--
2,5-DIOXOPIPERAZINECyclo(Gly-Gly)ME6595867817C02777--
(2-AMINOETHYL)PHOSPHONATECiliatineME659948339C03557--
2-AMINOPHENOL2-AminophenolME6595875801C01987--
2`-DEOXYADENOSINEDeoxyadenosineME65959513730C00559--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME659596188966C00206--
2`-DEOXYADENOSINE 5`-TRIPHOSPHATEdATPME65995015993C00131--
2`-DEOXYCYTIDINEDeoxycytidineME65959713711C00881--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME659598150855C00705--
2`-DEOXYCYTIDINE 5`-MONOPHOSPHATEdCMPME65959913945C00239--
2`-DEOXYURIDINE 5`-MONOPHOSPHATEdUMPME65995165063C00365--
2`-DEOXYURIDINE 5`-TRIPHOSPHATEUTPME6596006133C00460--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME65958811266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME65958911914C01983--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6595906038C06338--
2-HYDROXYSTEARATE (*)2-Hydroxystearic acidME659591439887C03045--
2-OXOADIPATEOxoadipic acidME65959271C00322--
2-OXOBUTANOATE3-Methyl pyruvic acidME65994958C00109--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6595937124C06325--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME659604873C01198--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME65960172C00230--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME65960291528CA1222--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6596059378C03672--
3,5-DIBROMO-4-HYDROXYBENZONITRILE3,5-Dibromo-4-hydroxybenzonitrileME65960315531C04178--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6596199903C03990--
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATEDehydroepiandrosterone sulfateME65962012594C04555--
3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME659606123979K25632--
3-DEHYDROSHIKIMATE3-Dehydroshikimic acidME659607439774C02637--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6596081662C03761--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME65961086C00632--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME659611101C03067--
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME659612102C03351--
3-HYDROXYBUTANOIC ACID3-Hydroxybutyric acidME659613441C01089--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME65960989C02794--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6596149307CA1364--
3-METHYL-2-OXINDOLE3-MethyloxindoleME659615150923CA1325--
3-METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME65961647C03465--
3-NITRO-L-TYROSINENitrotyrosineME659617235719CA1195--
3-NITROPROPANOATEBovinocidinME6599521678C02516--
3-SULFINO-L-ALANINE3-Sulfino-alanineME6596181549098C00606--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME65962118189C02946--
4-AMINOBENZOATEp-Aminobenzoic acidME659622978C00568--
4-ANDROSTEN-3BETA,17BETA-DIOL DISULFATE (*)4-Androsten-3beta,17beta-diol disulfateME65962310634C04295--
4-COUMARATEcis-p-Coumaric acidME659624637542C00811--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME659625500C01035--
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME6596263845C01717--
4-HYDROXY-3-METHOXY-BENZENEMETHANOL4-Hydroxy-3-methoxybenzenemethanolME65962762348C06317--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME659628736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME65962910805CA1410--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME659631126C00633--
4-HYDROXY-L-PHENYLGLYCINE4-HydroxyphenylglycineME65963036143CA1445--
4-HYDROXYPHENYLACETATE4-Hydroxyphenyl acetateME659632127C00642--
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME65995396215C02835--
4-NITROPHENOL4-NitrophenolME659633980C00870--
4-NITROPHENYL PHOSPHATE4-Nitrophenyl phosphateME659954378C03360--
4-PYRIDOXATE4-Pyridoxic acidME6596346723C00847--
4-QUINOLINECARBOXYLIC ACID4-Quinolinecarboxylic acidME65995510243C06414--
4-VINYLPHENOL SULFATE (*)4-HydroxystyreneME65963562453C05627--
5,6-DIHYDROURACILDihydrouracilME659636649C00429--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME659637-CA1116--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME659638137C00430--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6596401826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME659639439280C00643--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME65964178168C03088--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME659644439176C00170--
5-OXO-PROLINEPyroglutamic acidME659642499C01879--
5-PHOSPHO-ALPHA-D-RIBOSEPhosphoribosyl pyrophosphateME6596437339C00119--
6-CARBOXYHEXANOATEPimelic acidME659645385C02656--
6-HYDROXYNICOTINATE6-Hydroxynicotinic acidME65964672924C01020--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME65964791493C00345--
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME65964853481411C17337--
ACETYLENEDICARBOXYLATEAcetylenedicarboxylic acidME659649371C03248--
ACONITATE (*)trans-Aconitic acidME659650444212C00417--
ADENINEAdenineME659651190C00147--
ADENOSINEAdenosineME65965260961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6596536076C00575--
ADENOSINE 5`-DIPHOSPHATEADPME6596546022C00008--
ADENOSINE-5`-DIPHOSPHOGLUCOSEADP-glucoseME65995716500C00498--
ADENOSINE 5`-MONOPHOSPHATEAMPME6596556083C00020--
ADENOSINE 5`-TRIPHOSPHATEATPME6599565957C00002--
ADIPIC ACIDAdipic acidME659656196CA1042--
ADP-RIBOSEADP-riboseME659958192C00301--
ALDOSTERONEAldosteroneME6596575839C01780--
ALLANTOINAllantoinME659658204C01551--
ALPHA-TOCOPHEROL (*)alpha-TocopherolME65965914985C02477--
AMINOBUTANOIC ACIDAminobutyric acidME659660119CA1498--
AMINOHEXANOIC ACIDAminocaproic acidME659661564CA1502--
AMINOHYDROXYBUTANOIC ACID-ME659662-CA1508--
AMINOPENTANOIC ACIDAminopentanoic acidME659663-CA1501--
ANDROSTERONE SULFATE (*)5alpha-Androstane-3alpha-ol-17-one sulfateME65966410634C04295--
ANILINE-2-SULFONIC ACID2-Aminobenzenesulfonic acidME6596656926CA1341--
ANTHRANILATE2-Aminobenzoic acidME659666227C00108--
ARACHIDIC ACIDArachidic acidME65966710467C06425--
ARACHIDONATEArachidonic acidME659668444899C00219--
ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)-ME659669-K22267--
ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)-ME659670-K24042--
ARGININEArginineME6596716322C02385--
ASPARAGINEAsparagineME6596726267C16438--
ASPARTATEAspartic acidME6596735960C16433--
AZELAIC ACIDAzelaic acidME6596742266C08261--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME659675112072C01262--
BEHENIC ACIDBehenic acidME6596768215C08281--
BENZOATEBenzoic acidME659677243C00180--
BENZOINBenzoinME6596788400C01408--
BILIVERDINBiliverdinME6596795280353C00500--
BIOTINBiotinME659680171548C00120--
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH-ME659681-CA1419--
BOC-ALA-ME659682----
BOC-ALA-OH-ME659683-CA1333--
BOC-ASN-ME659684----
BOC-ASN-OH-ME65968582035C01410--
BOC-ASP-OH-ME659686-CA1350--
BOC-HIS-OH-ME659687-CA1336--
BOC-MET-OH-ME659688-CA1332--
BOC-PHE-OH-ME659689-CA1334--
BOC-PRO-OH-ME659690-CA1335--
BOC-THR-OH-ME659691-CA1425--
[C13] METHIONINEMethionineME6599446137C01733--
[C13] PHENYLALANINEPhenylalanineME6599456140C02057--
[C13] TYROSINETyrosineME6599466057C01536--
[C13] VALINEValineME6599476287C00719--
CAPECITABINECapecitabineME65969260953C12650--
CAPRYLIC ACIDCaprylic acidME659693379C06423--
CARNOSINECarnosineME659694439224C00386--
CATECHOLPyrocatecholME659695289C00090--
CHENODEOXYCHOLATEChenodeoxycholic acidME65969610133C02528--
CHOLATECholic acidME659697221493C00695--
CHOLESTEROL (*)CholesterolME6596985997C00187--
CHOLESTEROL SULFATECholesterol sulfateME65969965076CA1523--
CHOLINE PHOSPHATECholine phosphateME659700135437C00588--
CINNAMIC ACIDtrans-Cinnamic acidME6597015372954C10438--
CINNAMOYLGLYCINE (*)CinnamoylglycineME659702709625K24551--
CIS-11-EICOSENOIC ACIDcis-Gondoic acidME6597035282768CA1166--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6597045497181CA1260--
CITRATECitric acidME659705311C00158--
CITRULLINECitrullineME6597069750C00327--
CORTICOSTERONECorticosteroneME6597075753C02140--
CORTISOL 21-ACETATECortisol 21-acetateME6597085744C02821--
CREATINECreatineME659709586C00300--
CYCLOHEPTANECARBOXYLIC ACIDCycloheptanecarboxylic acidME65971015091C12104--
CYS-GLYCys-GlyME659711439498C01419--
CYSTATHIONINECystathionineME659712439258C00542--
CYSTEIC ACIDCysteic acidME65971372886C00506--
CYSTINECystineME659714595C01420--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE2',3' cyclic CMPME65971568934C02354--
CYTIDINE 5`-DIPHOSPHATECDPME6597166132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME65971713804C00307--
CYTIDINE 5`-MONOPHOSPHATECMPME6599596131C00055--
CYTIDINE 5`-TRIPHOSPHATECTPME6597186176C00063--
DECANOATECapric acidME6597192969C01571--
DEHYDROISOANDROSTERONE 3-SULFATEDehydroepiandrosterone sulfateME65972012594CA1407--
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME6597215952C14554--
DEOXYRIBOSEDeoxyriboseME6597229828112C01801--
DEOXYURIDINEDeoxyuridineME65972313712C00526--
DESMETHYLNAPROXEN SULFATE (*)Desmethylnaproxen sulfateME659724-K25428--
DETHIOBIOTINDethiobiotinME659725445027C01909--
DIETHYL 2-METHYL-3-OXOSUCCINATE4-Heptenal diethyl acetalME65972697750C04067--
DIHEXOSE-ME659727-CA1495--
DIHOMO-LINOLEATE (*)11Z,14Z-Eicosadienoic acidME6597286439848C16525--
DIHOMO-LINOLENATE (*)-ME6597296439848C03242--
DIHYDROFOLATEDihydrofolic acidME65996098792C00415--
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME659730668C00111--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME659731675C03114--
DIMETHYLURATE (*)1,7-Dimethyluric acidME65973291611C16356--
DIMETHYLXANTHINE-ME659733-CA1507--
DIMETHYLXANTHINE (*)-ME659734-CA1507--
DOCOSADIENOATE (*)Docosadienoic acidME6597355312554C16533--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME659736445580C06429--
DOCOSAPENTAENOATE (*)Docosapentaenoic acidME6597375497182C16513--
DODECANEDIOATE (*)Dodecanedioic acidME65973812736C02678--
DODECENOATE (*)Dodecenoic acidME659739-K23296--
EDTA (*)Edetic acidME6597406049C00284--
ERUCIC ACIDcis-Erucic acidME6597415281116C08316--
ERYTHRITOLErythritolME659742222285C00503--
ESTRADIOL-17BETAbeta-EstradiolME6597435757C00951--
ESTRONEEstroneME6597445870C00468--
ETHYLENEDIAMINETETRAACETIC (EDTA) ACIDEdetic acidME6597456049C00284--
FERULATEtrans-Ferulic acidME659746445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME659747643975C00016--
FOLIC ACIDFolic acidME6599616037C00504--
FORMYL-L-METHIONINEN-FormylmethionineME6597486995182C03145--
FUMARIC ACIDFumaric acidME659749444972C00122--
GAMMA-LINOLENIC ACIDgamma-Linolenic acidME6597505280933C06426--
GERANYL PYROPHOSPHATEGeranyl diphosphateME659751447277C00353--
GLUCOSAMINATEGlucosaminic acidME65975273563C03752--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME659753439217C00352--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME65996272361CA1422--
GLUCURONOLACTONEGlucuronolactoneME659754439782C02670--
GLUTAMIC ACIDGlutamic acidME65975533032C00302--
GLUTAMINEGlutamineME6597565961C00303--
GLUTARATEGlutaric acidME659757743C00489--
GLUTATHIONE OXIDIZEDGlutathioneME659963975C00127--
GLYCERIC ACIDGlyceric acidME659758439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME659759439162CA1512--
GLYCOCHENODEOXYCHOLATE / GLYCODEOXYCHOLATE (*)Glycodeoxycholic acidME65976022833539C05464--
GLYCOCHOLATEGlycocholic acidME65976110140C01921--
GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)Glycodeoxycholic acidME65976222833539C05464--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME659763-CA1349--
GLYOXALGlyoxalME6599647860C14448--
GLYOXYLATEGlyoxylic acidME659764760C00048--
GUANIDINOACETATEGuanidoacetic acidME659765763C00581--
GUANOSINEGuanosineME6597666802C00387--
GUANOSINE 5`-DIPHOSPHATEGDPME6597688977C00035--
GUANOSINE 5`-DIPHOSPHO-D-MANNOSEGDP-mannoseME65996518396C00096--
GUANOSINE 5` MONOPHOSPHATEGMPME6597676804C00144--
GUANOSINE 5`-TRIPHOSPHATEGTPME6597696830C00044--
GULONO-1,4-LACTONED-GulonolactoneME659770165105C05410--
HEPTADECANOATEMargaric acidME65977110465CA1365--
HEPTADECENOATE (*)Heptadecenoic acidME659772-K22942--
HEPTANOIC ACIDHeptylic acidME6597738094CA1393--
HEXACOSANOIC ACIDCerotic acidME65977410469CA1352--
HEXADECANEDIOATE (*)Hexadecanedioic acidME65977510459C19615--
HEXANOATECaproic acidME6597768892C01585--
HEXITOLSorbitolME659777453CA1510--
HEXURONIC ACIDHexuronic acidME659778152867CA1503--
HIPPURATEHippuric acidME659779464C01586--
HOMOGENTISATEHomogentisic acidME659966780C00544--
HOMOVANILLATEHomovanillic acidME6597801738C05582--
HYDROXYACETAMINOPHEN SULFATE (*)Hydroxyacetaminophen sulfateME659781-K24525--
HYDROXYBENZOIC ACIDHydroxybenzoic acidME659782135CA1517--
HYDROXYDECANOATE (*)Hydroxydecanoic acidME659783-K21895--
HYDROXYISOVALERATE (*)-ME659784-K23382--
HYPOTAURINEHypotaurineME659785107812C00519--
HYPOXANTHINEHypoxanthineME659786790C00262--
INDICANIndicanME65978792769C08481--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME659967397C02693--
INDOLE-3-ACETIC ACIDIndoleacetic acidME659788802C00954--
INDOLE-3-ETHANOLTryptophanolME65978910685C00955--
INDOLEPROPIONATE (*)3-Indolepropionic acidME6597903744K25954--
INOSINEInosineME6597916021C00294--
INOSINE 5`-DIPHOSPHATEIDPME6597926831C00104--
INOSINE 5`-TRIPHOSPHATEITPME6597938583C00081--
ISOLEUCINE/LEUCINE (*)Leucine/IsoleucineME6597946306C00407--
KYNURENINEKynurenineME659795161166C01718--
LACTATE (*)Lactic acidME659796107689C00186--
LAURIC ACIDLauric acidME6597973893C02679--
LAUROYLCARNITINECAR 12:0ME65979810427569CA1406--
LEUCENOLMimosineME659799440473C04771--
LIGNOCERIC ACIDLignoceric acidME65980011197C08320--
LINOLEATELinoleic acidME6598015280450C01595--
LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:2ME659802-K24671--
LIPOAMIDELipoamideME659803863C00248--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6598041549100C00666--
LUMICHROMELumichromeME6598055326566C01727--
LYSINELysineME6599685962C16440--
MALATEMalic acidME659806222656C00711--
MALONATEMalonic acidME659807867C00383--
MELATONINMelatoninME659808896C01598--
MERCAPTOPYRUVATE3-Mercaptopyruvic acidME65980998C00957--
METHIONINEMethionineME6598106137C01733--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME65981194214C03619--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME65981274706CA1231--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME65981373917CA1015--
MYO-INOSITOLMyo-inositolME659814892C00137--
MYRISTIC ACIDMyristic acidME65981511005C06424--
MYRISTOLEIC ACIDMyristoleic acidME6598165281119C08322--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME65983792180C04083--
N-ACETYL-D-GALACTOSAMINEN-AcetylgalactosamineME65981935717C01132--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME65982170914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME659822448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME659820439917C03137--
N-ACETYLGLYCINEN-AcetylglycineME65982710972CA1212--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME65982365065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME65982412035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME65982575619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME65982674839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME659828439197C00270--
N-ACETYLSEROTONINN-AcetylserotoninME659829903C00978--
NADPNADPME6598385886C00006--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME659830-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME65983192907CA1219--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME65983214349C03710--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6598337533CA1328--
NERVONIC ACIDNervonic acidME6598395281120C08323--
N-FORMYLGLYCINEN-FormylglycineME65983475606CA1268--
NICOTINAMIDENiacinamideME659840936C00153--
NICOTINAMIDE ADENINE DINUCLEOTIDENADME65996910897651C00003--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME659970440334C04423--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME659841123953C13051--
N-METHYLTRYPTAMINEN-MethyltryptamineME6598356088C06213--
N-OLEOYLGLYCINEN-Oleoyl glycineME6598366436908CA1254--
NONADECANOATE / METHYLSTEARATE (*)Nonadecylic acidME65984212591C16535--
NONADECENOATE (*)Nonadecenoic acidME659843-C00174--
NONANOATEPelargonic acidME6598448158C01601--
NORMETANEPHRINENormetanephrineME6598451237CA1379--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME65981764969C01152--
N(PAI)-METHYL-L-HISTIDINE (*)3-MethylhistidineME65981864969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME6598461C02571--
OCTADECANEDIOATE (*)Octadecanedioic acidME65984970095K26463--
OCTOPAMINEOctopamineME659850440266C04227--
OLEATEOleic acidME659851445639C00712--
OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:1ME659852-K21510--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME659847106CA1209--
OPHTHALMIC ACIDOphthalmic acidME6598537018721CA1475--
ORNITHINEOrnithineME6598546262C00515--
OROTATEOrotic acidME659855967C00295--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME659848439406C01118--
OXALATEOxalic acidME659856971C00209--
OXOMALONATEMesoxalic acidME65985710132C00830--
P-ACETAMIDOPHENYLGLUCURONIDE (*)p-AcetamidophenylglucuronideME6598584022661K23498--
PALMITIC ACIDPalmitic acidME659860985C00249--
PALMITOLEIC ACIDPalmitoleic acidME659861445638C08362--
PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLA...-ME659862-K22338--
PALMITOYLGLYCEROPHOSPHOINOSITOL (*)LPI 16:0ME659863-K25208--
PANTOATE(R)-Pantoic acidME659864439251C00522--
PANTOTHENIC ACIDPantothenic acidME659865988C00864--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME65985985681CA1463--
PENTITOLArabitolME659866827CA1511--
PHENYLACETALDEHYDEPhenylacetaldehydeME659867998C00601--
PHENYLACETATE (*)Phenyl acetateME659868999C07086--
PHENYLALANINEPhenylalanineME6598696140C02057--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME6599711000C02735--
PHENYLPYRUVATEPhenylpyruvic acidME659870997C00166--
PHOSPHATEPhosphoric acidME6598711004C00009--
PHOSPHOCREATINEPhosphocreatineME659873587C02305--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME6598721005C00074--
PHOSPHOETHANOLAMINEPhosphoethanolamineME6598741015C00346--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME659875724CA1497--
PHOSPHONOACETATEPhosphonoacetic acidME659876546C05682--
PHTHALATEPhthalic acidME6598771017C01606--
PHYTIC ACIDMyo-inositol hexakisphosphateME659878890C01204--
PREGNENOLONEPregnenoloneME6598808955C01953--
PREGN STEROID MONOSULFATE (*)Pregnenolone sulfateME659879105074C18044--
PROGESTERONEProgesteroneME6598815994C00410--
PROLINEProlineME659882145742C16435--
PTERINPterinME65988373000CA1303--
PURINEPurineME6598841044C00465--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6598861066C03722--
PYRIDINE CARBOXYLIC ACID-ME659885-CA1509--
PYRIDOXALPyridoxalME6598871050C00250--
PYRIDOXINEPyridoxineME6598881054C00314--
PYRUVATEPyruvic acidME6598891060C00022--
QUINATEQuinic acidME6598906508C00296--
RAFFINOSERaffinoseME659891439242C00492--
RETINOATERetinoic acidME659892444795C00777--
RIBOFLAVINRiboflavinME659893493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME659894439167C00117--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME659972123658C01182--
ROSMARINIC ACIDRosmarinic acidME6598955281792C10489--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME659896439155C00021--
SALICYLAMIDESalicylamideME6598995147CA1193--
SALICYLATE (*)Salicylic acidME659900338C00805--
SALICYLIC ACIDSalicylic acidME659901338CA1067--
SALICYLURIC GLUCURONIDE (*)Salicyluric glucuronideME659902-K24500--
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME659897193653C03727--
(S)-DIHYDROOROTATE4,5-Dihydroorotic acidME659577648C00337--
SERINESerineME6599035951C00716--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME65989897536C02886--
SHIKIMATEShikimic acidME6599048742C00493--
(S)-LACTATELactic acidME659578107689C00186--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME659905657272C00670--
STACHYOSEStachyoseME659906439531C01613--
STEARATEStearic acidME6599075281C01530--
STEARIDONATE (*)Stearidonic acidME6599085282837C16300--
STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:0ME659909-K24332--
SUBERIC ACIDSuberic acidME65997310457C08278--
SUCCINATESuccinic acidME6599101110C00042--
TARTARIC ACIDTartaric acidME659911444305C01534--
TAURINETaurineME6599121123C00245--
TAUROCHENODEOXYCHOLATE (*)Taurochenodeoxycholic acidME659913387316C05465--
TAUROCHOLATE (*)Taurocholic acidME6599146675C05122--
TAUROLITHOCHOLATETaurolithocholic acidME659915439763C02592--
TESTOSTERONETestosteroneME6599166013C00535--
THIAMINE PYROPHOSPHATEThiamine diphosphateME6599181132C00068--
THIAMIN MONOPHOSPHATEThiamine monophosphateME6599173382778C01081--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6599195778C03542--
THREONATE (*)Threonic acidME659920151152C01620--
THYMIDINEThymidineME6599215789C00214--
THYMINEThymineME6599221135C00178--
THYROTROPIN RELEASING HORMONEThyrotropin releasing hormoneME659923638678C03958--
THYROXINEThyroxineME6599245819C01829--
TRICOSANOIC ACIDTricosylic acidME65992517085CA1269--
TRIDECANOIC ACIDTridecylic acidME65992612530CA1367--
TRYPTOPHAN (*)TryptophanME6599276305C00078--
TRYPTOPHANAMIDETryptophanamideME659928439356C00977--
TYRAMINETyramineME6599295610C00483--
URACILUracilME6599301174C00106--
URATEUric acidME6599311175C00366--
URIDINEUridineME6599326029C00299--
URIDINE 5`-DIPHOSPHATEUDPME6599336031C00015--
URIDINE 5`-DIPHOSPHOGLUCOSEUDP-glucoseME65993453477679C00029--
URIDINE 5`-DIPHOSPHOGLUCURONIC ACIDUDP-glucuronic acidME65997517473C00167--
URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME659974445675C00043--
URIDINE 5`-TRIPHOSPHATEUTPME6599356133C00075--
UROCANATEUrocanic acidME6599361549103C00785--
URSODIOLUrsodeoxycholic acidME65993731401C07880--
VITAMIN B12Vitamin B12ME65993816212801C05776--
XANTHINEXanthineME6599391188C00385--
XANTHOSINEXanthosineME65994064959C01762--
XANTHOSINE 5`-MONOPHOSPHATEXMPME65994173323C00655--
XANTHURENIC ACIDXanthurenic acidME6599425699C02470--
XYLONATE (*)Xylonic acidME6599436602431C00502--


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