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Analysis: MS Q-TOF 6530 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 acidME65832574300C02774--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME65832694141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME658320-CA1375--
1,2-DIPALMITOYL-SN-GLYCEROLDG 16:0_16:0ME658321-CA1156--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME65832779034C08317--
[13C]-ARGININEArginineME6587426322CA1719--
[13C]-ASPARTIC ACIDAspartic acidME6587435960CA1745--
[13C]-GLUTAMATEGlutamic acidME658744-CA1731--
[13C]-ISOLEUCINEIsoleucineME6587456306CA1831--
[13C]-LEUCINELeucineME6587466106CA1831--
[13C]-LYSINELysineME6587475962CA1684--
[13C]-METHIONINEMethionineME6587486137CA1790--
[13C]-PHENYLALANINEPhenylalanineME6587496140CA1855--
[13C]-PROLINEProlineME658750145742CA1754--
[13C]-THREONINEThreonineME6587516288CA1727--
[13C]-TYROSINETyrosineME6587526057CA1825--
[13C]-VALINEValineME6587536287CA1779--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6583286238C01176--
1-METHYLADENOSINE1-MethyladenosineME65832227476C02494--
1-NAPHTHYLAMINE1-NaphthylamineME6583238640C14790--
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6583245319879CA1373--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6583396990C03663--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME65832969371C03056--
2-AMINO-2-DEOXYHEXOPYRANOSE-ME658330-CA1504--
2-AMINOPHENOL2-AminophenolME6583315801C01987--
2`-DEOXYADENOSINEDeoxyadenosineME65834013730C00559--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME658341188966C00206--
2`-DEOXYADENOSINE 5`-MONOPHOSPHATEdUMPME65834212599C00360--
2`-DEOXYCYTIDINEDeoxycytidineME65834313711C00881--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME658332439268C00586--
2`-DEOXYGUANOSINEDeoxyguanosineME658344187790C00330--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME65834565059C00362--
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID2-Hydroxy-4-(methylthio)butanoic acidME65833311427CA1484--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME65833411266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME65833511914C01983--
2-METHYLGLUTARIC ACID2-Methylglutaric acidME65833612046CA1107--
2-METHYLMALEATECitraconic acidME658337643798C02226--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6583387124C06325--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME658350873C01198--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME65834772C00230--
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME6583466047C00355--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME658349547C01161--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME65834891528CA1222--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6583519378C03672--
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME658352979C01179--
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-...TetrahydrocortisolME6583545864CA1235--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6583659903C03990--
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE3beta-Hydroxy-5alpha-pregnan-20-oneME65836692787CA1234--
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*)3-(Cystein-S-yl)acetaminophenME658353-K10359--
3-DEHYDROCARNITINE3-DehydrocarnitineME6583556991982C02636--
3-DEHYDROSHIKIMATE3-Dehydroshikimic acidME658356439774C02637--
3`-DEPHOSPHO COA3'-Dephospho-CoAME658367444485C00882--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6583571662C03761--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME65835986C00632--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME658360101C03067--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME65835889C02794--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6583619307CA1364--
3-METHOXYTYRAMINE3-MethoxytyramineME6583621669C05587--
3-METHYL-2-OXINDOLE3-MethyloxindoleME658363150923CA1325--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME658364111CA1202--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME65836818189C02946--
4-AMINOBENZOATEp-Aminobenzoic acidME658369978C00568--
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME65837065138CA1491--
4-COUMARATEcis-p-Coumaric acidME658371637542C00811--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME658372500C01035--
4-HYDROXY-3-METHOXYMANDELICVanillylmandelic acidME658373736172C05584--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME658374736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME65837510805CA1410--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME658376126C00633--
4-METHYL-2-OXOPENTANOATEKetoleucineME65837770C00233--
4-METHYLCATECHOL4-MethylcatecholME6583789958C06730--
4-NITROPHENYL PHOSPHATE4-Nitrophenyl phosphateME658379378C03360--
4-PYRIDOXATE4-Pyridoxic acidME6583806723C00847--
5-AMINOIMIDAZOLE RIBOTIDE (*)AIRME658382161500C03373--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME658381137C00430--
5`-DEOXYADENOSINE5'-DeoxyadenosineME658390439182C05198--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6583841826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME658383439280C01017--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME65838578168C03088--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME65838625945C02804--
5-METHYLCYTOSINE5-MethylcytosineME65838765040C02376--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME658391439176C00170--
5-OXO-PROLINEPyroglutamic acidME658388499C01879--
5-VALEROLACTONE5-ValerolactoneME65838910953C02240--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME658392133246C00268--
6-HYDROXYDOPAMINE6-HydroxydopamineME6583934624CA1404--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME65839491493C00345--
7-AMINOCEPHALOSPORANIC ACID7-Aminocephalosporanic acidME658395441328C07756--
ADENOSINEAdenosineME65839660961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6583976076C00575--
ADENOSINE 5`-MONOPHOSPHATEAMPME6583986083C00020--
ADENOSINE 5`-MONOPHOSPHATE (*)AMPME6583996083C00020--
ADENOSINE DIPHOSPHATEADPME6584006022CA1496--
ALANINEAlanineME6584015950C01401--
ALLANTOINAllantoinME658402204C01551--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME65840351C00026--
ALPHA-LIPOAMIDELipoamideME658404863C00248--
ALPHA-TOCOPHEROLalpha-TocopherolME65840514985C02477--
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME658406-CA1514--
AMINOHYDROXYBUTANOIC ACID-ME658407-CA1508--
ANDROSTERONEAndrosteroneME6584085879C00523--
ANILINEAnilineME6584096115C00292--
ANTHRANILATE2-Aminobenzoic acidME658410227C00108--
ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*)LPC 20:4ME658411-C05208--
ARG-VAL-TRPArg-Val-TrpME658412-CA1890--
ASCORBATEVitamin CME65841354670067C00072--
ASPARAGINEAsparagineME6584146267C16438--
ASPARTATEAspartic acidME6584155960C16433--
AZELAIC ACIDAzelaic acidME6584162266C08261--
BENZENEDICARBOXYLIC ACID-ME658417-CA1518--
BENZOINBenzoinME6584188400C01408--
BETAINEBetaineME658419247C00719--
BILIVERDINBiliverdinME6584205280353C00500--
BIOPTERINBiopterinME658421445040C06313--
BIOTINBiotinME658422171548C00120--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6584238343C03690--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME658424186004C01159--
BOC-ALA (+NA)-ME658425-CA1333--
BOC-ALA-OH-ME658426-CA1333--
BOC-ASN-ME65842782035C01410--
BOC-ASP-OH-ME658428-CA1350--
BOC-GLY-OH-ME658429-CA1201--
BOC-HIS-OH-ME658430-CA1336--
BOC-LYS-OH-ME658431-CA1424--
BOC-MET-OH-ME658432-CA1332--
BOC-PHE-OH-ME658433-CA1334--
BOC-PRO-OH-ME658434-CA1335--
BOC-SER-OH-ME658435-CA1423--
BRADYKININ (*)BradykininME658436439201C00306--
BRADYKININ DES-ARG(9) (*)BradykininME658437439201C00306--
BRADYKININ HYDROXY-PRO(3) (*)BradykininME658438439201C00306--
BUTYRYLCARNITINE (*)CAR 4:0ME658439213144K07954--
CADAVERINECadaverineME658441273C01672--
CAFFEIC ACIDCaffeic acidME6584421549111C01481--
CAFFEINECaffeineME6584432519C07481--
CAPECITABINECapecitabineME65844460953C12650--
CARNOSINECarnosineME658445439224C00386--
CERAMIDE PHOSPHOCHOLINE (*)SM 18:0;O2/22:1ME658471-K02047--
C-GLYCOSYLTRYPTOPHAN (*)C-GlycosyltryptophanME658440-K87470--
CHOLIC ACIDCholic acidME658446221493C00695--
CINNAMOYLGLYCINE (*)CinnamoylglycineME658447-K88537--
CINNAMOYLGLYCINE (*)CinnamoylglycineME658448709625K10610--
CIS-4-DECENOYL CARNITINE (*)CAR 10:1ME65844957357170K09179--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6584505497181CA1260--
CIS-ACONITATEcis-Aconitic acidME658451643757C00417--
CITRAMALATECitramalic acidME6584521081C00815--
CITRATECitric acidME658453311C00158--
CITRULLINECitrullineME6584549750C00327--
CORTICOSTERONECorticosteroneME6584555753C02140--
CORTISOLCortisolME6584565754C00735--
CORTISOL 21-ACETATECortisol 21-acetateME6584575744C02821--
CORTISONECortisoneME658458222786C00762--
COTININE (*)CotinineME658459408K10998--
CREATINECreatineME658460586C00300--
CREATININECreatinineME658461588C00791--
CREATININE FROM COMPLEXCreatinineME658462588C00791--
CYCLOHEX-1-ENECARBOXYLIC ACIDCyclohex-1-enecarboxylic acidME65846369470C12101--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME65846410434C01066--
CYSTATHIONINECystathionineME658465439258C00542--
CYSTEINECysteineME658466594C00736--
CYSTINECystineME658467595C01420--
CYTIDINECytidineME6584686175C00475--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME65846913804C00307--
CYTOSINECytosineME658470597C00380--
DECANOYLCARNITINE (*)CAR 10:0ME65847311953821K10936--
DEOXYCHOLATEDeoxycholic acidME658474222528C04483--
DEOXYCORTICOSTERONEDeoxy-corticosteroneME6584756166C14554--
DEOXYRIBOSEDeoxyriboseME6584769828112C01801--
DEOXYURIDINEDeoxyuridineME65847713712C00526--
DETHIOBIOTINDethiobiotinME658478445027C01909--
D-GLUCONO-1,5-LACTONEGluconolactoneME6584727027C00198--
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME658482-UP0027--
DIACYLGLYCEROPHOSPHOGLYCEROL (*)-ME658484-K00037--
DIACYL-PHOSPHATIDYLCHOLINE-ME658483-UP0012--
DIETHANOLAMINEDiethanolamineME6584858113C06772--
DIETHYL AMINOMALONATEDiethyl aminomalonateME65848681272CA1488--
DIHEXOSE-ME658487-CA1495--
DIHYDROFOLATEDihydrofolic acidME65848898792C00415--
DIHYDROOROTATE4,5-Dihydroorotic acidME658489648C00337--
DIHYDROXYBENZOIC ACIDDihydroxybenzoic acidME658490-CA1515--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)-ME658479-UP0002--
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY)-ME658480-UP0013--
DIMETHYLARGININE (*)DimethylarginineME658492123831C03626--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME658493675C03114--
DIMETHYLGUANOSINE (*)DimethylguanosineME658494-K09146--
DIMETHYL MALEATEDimethyl maleateME65849112215CA1310--
DIMETHYLXANTHINE-ME658495-CA1507--
DIMETHYLXANTHINE (*)-ME658496-CA1507--
DIOLEOYLPHOSPHATIDYLCHOLINEPC 18:1/18:1ME658497-Z02138--
DIPALMITOYLGLYCEROL (*)DG 16:0_16:0ME658498644078C00165--
DI-TERT-BUTYL DICARBONATETert-butoxycarbonyl anhydrideME65848190495CA1253--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME658499445580C06429--
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINE (*)LPE 22:6ME658500-K09469--
DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE (*)-ME658501-K01455--
DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINELPC 22:5ME658502-K08312--
DOPAMINEDopamineME658503681C03758--
EDTAEdetic acidME6585046049C00284--
EDTA (*)Edetic acidME6585056049C00284--
EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE (*)-ME658506-K08397--
ENKEPHALINE, (D-ALA)2-LEU-ME658507-CA1037--
EPINEPHRINEEpinephrineME6585085816C00788--
ERYTHRITOLErythritolME658509222285C00503--
ESTRADIOL 17 ALPHAEstradiol-17alphaME65851068570C02537--
ESTRONEEstroneME6585115870C00468--
ETHANOLAMINEEthanolamineME658512700C00189--
ETHYL 3-INDOLE ACETATEEthyl 3-indoleacetateME658513-CA1213--
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME658514317638CA1342--
ETHYLMALONIC ACIDEthylmalonic acidME65851511756CA1366--
FERULATEtrans-Ferulic acidME658516445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME658517643975C00016--
FOLIC ACIDFolic acidME6585186037C00504--
FORMYL-L-METHIONINEN-FormylmethionineME6585196995182C03145--
GAMMA-BUTYROLACTONEgamma-ButyrolactoneME6585207302CA1420--
GAMMA-GLUTAMYLISOLEUCINE (*)gamma-GlutamylisoleucineME65852114253342K09236--
GAMMA-GLUTAMYLMETHIONINE (*)gamma-GlutamylmethionineME658522-K08579--
GAMMA-GLUTAMYLPHENYLALANINE (*)gamma-GlutamylphenylalanineME658523111299K08879--
GAMMA-GLUTAMYLTYROSINE (*)gamma-GlutamyltyrosineME65852494340K14770--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME658525439217C00352--
GLUTAMIC ACIDGlutamic acidME65852633032C00302--
GLUTAMINEGlutamineME6585275961C00303--
GLUTARATEGlutaric acidME658528743C00489--
GLUTAROYL CARNITINE (*)CAR DC5:0ME65852953481622K09042--
GLUTATHIONEGlutathioneME658530124886C00051--
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETALGlyceraldehyde 3-phosphate diethyl acetalME658531-CA1402--
GLYCERIC ACIDGlyceric acidME658532439194C00258--
GLYCEROPHOSPHORYLCHOLINE (*)sn-Glycero-3-phosphocholineME658533657272C00670--
GLYCINEGlycineME658534750C00037--
GLYCOCHOLATEGlycocholic acidME65853510140C01921--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME658536-CA1349--
GUANINEGuanineME658537764C00242--
GUANOSINEGuanosineME6585386802C00387--
GUANOSINE 5`-DIPHOSPHATEGDPME6585398977C00035--
GULONO-1,4-LACTONED-GulonolactoneME658540165105C05410--
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)LPC 17:0ME65854153480465C04230--
HEXITOLSorbitolME658542453CA1510--
HEXOSEHexoseME658543206C01381--
HEXOSE (*)HexoseME658544206C00159--
HIPPURATEHippuric acidME658545464C01586--
HISTIDINEHistidineME6585466274C00768--
HISTIDINE (*)HistidineME6585476274C00135--
HISTIDINOLL-HistidinolME658548165271C00860--
HOMOGENTISATEHomogentisic acidME658549780C00544--
HOMOSERINEHomoserineME65855012647C00263--
HOMOSTACHYDRINE (*)(S)-HomostachydrineME658551441447C08283--
HOMOVANILLATEHomovanillic acidME6585521738C05582--
HYDROQUINONEHydroquinoneME658553785C00530--
HYDROXYBENZALDEHYDEHydroxybenzaldehydeME6585546998CA1516--
HYDROXYBENZOIC ACIDHydroxybenzoic acidME658555135CA1517--
HYPOXANTHINEHypoxanthineME658556790C00262--
INDOLE-3-ACETALDEHYDEIndoleacetaldehydeME658557800C00637--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME658558397C02693--
INDOLE-3-ACETIC ACIDIndoleacetic acidME658559802C00954--
INDOLE-3-ETHANOLTryptophanolME65856010685C00955--
INDOXYLIndoxylME65856150591C05658--
INOSINEInosineME6585626021C00294--
INOSINE 5`-DIPHOSPHATEIDPME6585636831C00104--
INOSINE 5`-MONOPHOSPHATEIMPME6585648582C00130--
ISOCITRIC ACIDIsocitric acidME6585651198C00311--
ISOVALERYLCARNITINE (*)CAR 4:0;3MeME6585666426851K08149--
KYNURENIC ACIDKynurenic acidME6585673845C01717--
KYNURENINEKynurenineME658568161166C01718--
LAUROYLCARNITINECAR 12:0ME65856910427569CA1406--
LEUCENOLMimosineME658570440473C04771--
LEUCINELeucineME6585716106C16439--
LEUCYLPHENYLALANINE (*)Leu-PheME6585726992310K87920--
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:2ME658573-K02239--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6585741549100C00666--
LUMICHROMELumichromeME6585755326566C01727--
LYSINELysineME6585765962C16440--
MALATEMalic acidME658577222656C00711--
MELATONINMelatoninME658578896C01598--
MENAQUINONEMenadioneME6585795280374C00828--
METHIONINEMethionineME6585806137C01733--
METHIONYLALANINE (*)Met-AlaME6585817009581K13270--
METHYL ACETOACETATEMethylacetoacetic acidME6585827757CA1265--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME65858394214C03619--
METHYLGLUTAROYLCARNITINE (*)CAR DC5:0;3MeME658588-K11239--
METHYLGUANIDINEMethylguanidineME65858910111C02294--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME65858474706CA1231--
METHYL JASMONATEMethyl jasmonateME6585855281929C11512--
METHYLMALONATEMethylmalonic acidME658590487C02170--
METHYL PARABENMethylparabenME6585867456CA1357--
METHYL VANILLATEMethyl vanillateME65858719844CA1479--
METHYLXANTHINE (*)MethylxanthineME65859168374C16353--
MEVALOLACTONEMevalolactoneME658592-CA1091--
MONO-ETHYL MALONATEMonoethyl malonic acidME65859370615CA1417--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME65859473917CA1015--
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)LPC 14:0ME658595460604C04230--
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)N1-Methyl-2-pyridone-5-carboxamideME65862069698C05842--
N4-ACETYLCYTIDINE (*)N4-AcetylcytidineME658621107461K11647--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME65862292180C04083--
N-ACETYL-D-GALACTOSAMINEN-AcetylgalactosamineME65859835717C01132--
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME658599-CA1500--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME65860170914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME658602448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME658600439917C03137--
N-ACETYLGLYCINEN-AcetylglycineME65860810972CA1212--
N-ACETYL-L-ALANINEN-AcetylalanineME65860388064CE1554--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME65860465065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME65860512035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME65860675619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME65860774839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME658609439197C00270--
N-ACETYLPUTRESCINEN-AcetylputrescineME658610122356C02714--
N-ACETYLSEROTONINN-AcetylserotoninME658611903C00978--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME658612-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME65861392907CA1219--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME65861414349C03710--
N-BOC-D-GLUCOSAMINEGlucosamineME658615-CA1426--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME65861613017C11519--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6586177533CA1328--
N-ETHYLMALEIMIDEN-EthylmaleimideME6586184362C02441--
NICOTINAMIDENiacinamideME658623936C00153--
N-NITROSODIETHANOLAMINEN-NitrosodiethanolamineME65861914223CA1477--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME658597440120C03793--
NORMETANEPHRINENormetanephrineME6586241237CA1379--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME65859664969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME6586251C02571--
OCTANOYLCARNITINE (*)CAR 8:0ME658629123701C02838--
OLEAMIDEOleamideME6586305283387CA1223--
OLEOYLCARNITINE (*)CAR 18:1(9Z)ME6586316441392K88838--
OLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:1ME6586325280634C03916--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME658626106CA1209--
O-PHOSPHONOHEXOPYRANOSE-ME658627-CA1494--
OPHTHALMIC ACIDOphthalmic acidME6586337018721CA1475--
ORNITHINEOrnithineME6586346262C01602--
OROTIDINE 5`-MONOPHOSPHATEOrotidylic acidME658635160617C01103--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME658628439406C01118--
OXOMALONATEMesoxalic acidME65863610132C00830--
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:1ME658639-K09130--
PALMITOYLCARNITINE (*)CAR 16:0ME65864111953816C02990--
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)LPC 16:0ME658642460602C04102--
PALMITOYL SPHINGOMYELIN (*)SM 18:1;O2/16:0ME6586409939941K08639--
PANTOLACTONEPantolactoneME658643439368C01012--
PANTOTHENIC ACIDPantothenic acidME658644988C00864--
PARAOXON-METHYLParaoxon-methylME65864513708CA1476--
P-BENZOQUINONEQuinoneME6586374650CA1285--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME65863885681CA1463--
PENICILLAMINEPenicillamineME6586464727C07418--
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCERO...-ME658647-K08217--
PENTITOLArabitolME658648827CA1511--
PENTOPYRANOSEPentopyranoseME658649641630CA1493--
PHENETHYLAMINEPhenylethylamineME6586501001C05332--
PHENYLACETIC ACIDPhenylacetic acidME658651999C07086--
PHENYLACETYLGLUTAMINE (*)alpha-N-PhenylacetylglutamineME65865292258C05597--
PHENYLALANINEPhenylalanineME6586536140C02057--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME6586541000C02735--
PHOSPHATEPhosphoric acidME6586551004C00009--
PHOSPHOCHOLINECholine phosphateME658656135437C00588--
PHOSPHONOACETATEPhosphonoacetic acidME658657546C05682--
PHTHALATEPhthalic acidME6586581017C01606--
PIMELIC ACIDPimelic acidME658659385C02656--
PIPECOLIC ACIDPipecolic acidME658660849C00408--
PIPERINE (*)PiperineME658661638024C03882--
POSSIBLE L-LEUCYL-L-LEUCINE-ME658662-U03237--
PREGNENOLONEPregnenoloneME6586638955C01953--
PRENOL3-Methyl-2-buten-1-olME65866411173C01390--
PROGESTERONEProgesteroneME6586665994C00410--
PRO-HYDROXY-PRO (*)Pro-hydroxyProME65866511902892K96372--
PROLINEProlineME658667145742C16435--
PROMETRYNPrometrynME6586684929CA1277--
PROPIONYLCARNITINE (*)CAR 3:0ME658669188824C03017--
PROTOPORPHYRINProtoporphyrinME6586704971C02191--
PTERINPterinME65867173000C00715--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6586731066C03722--
PYRIDINE CARBOXYLIC ACID-ME658672-CA1509--
PYRIDOXALPyridoxalME6586741050C00250--
PYRIDOXAMINEPyridoxamineME6586751052C00534--
PYRIDOXINEPyridoxineME6586761054C00314--
PYROGLUTAMINE (*)PyroglutamineME658677134508K01750--
QUINATEQuinic acidME6586786508C00296--
QUINOLIN-2-OL2-HydroxyquinolineME6586796038C06338--
RAFFINOSERaffinoseME658680439242C00492--
RETINALRetinalME658681638015C00376--
RETINOATERetinoic acidME658682444795C00777--
RETINOLRetinolME658683445354C00473--
RIBOFLAVINRiboflavinME658684493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME658685439167C00117--
ROSMARINIC ACIDRosmarinic acidME6586865281792C10489--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME658688439155C00021--
S-ADENOSYL METHIONINES-AdenosylmethionineME65868734755C00019--
SALICYLIC ACIDSalicylic acidME658690338C00805--
SALSOLINOLSalsolinolME65869154456C09642--
SELENOCYSTAMINESelenocystamineME658692-CA1403--
SEROTONINSerotoninME6586935202C00780--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME65868997536C02886--
SHIKIMATEShikimic acidME6586948742C00493--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME658695657272C00670--
SORBIC ACIDSorbic acidME658696643460CA1411--
SPERMIDINESpermidineME6586971102C00315--
SPERMINESpermineME6586981103C00750--
SPHINGANINESphinganineME65869991486C00836--
SPHINGOMYELINSM 18:1;O2/18:0ME65870053481362C00550--
SPHINGOMYELIN (CATION)SM 18:0;O2/22:1ME65870153481362C00550--
SQUALENESqualeneME6587025280370C00751--
STACHYOSEStachyoseME658703439531C01613--
STEARAMIDE (*)StearamideME65870431292C13846--
STEAROYLCARNITINE (*)CAR 18:0ME65870652922056K08129--
STEAROYLGLYCEROPHOSPHOCHOLINE (*)LPC 18:0ME658707-K08377--
STEAROYL SPHINGOMYELIN (*)SM 18:1;O2/18:0ME6587056453725C00550--
SUBERIC ACIDSuberic acidME65870810457C08278--
SUCCINATE (*)Succinic acidME6587091110C00042--
TAURINETaurineME6587101123C00245--
TESTOSTERONETestosteroneME6587116013C00535--
THEOPHYLLINETheophyllineME6587122153C07130--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6587135778C03542--
THREONINE (*)ThreonineME6587146288CA1381--
THYMIDINEThymidineME6587155789C00214--
THYROXINEThyroxineME6587165819C01829--
TIGLYL CARNITINE (*)CAR 4:1;2MeME65871722833596K08128--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME65871892886C03739--
TRIGONELLINETrigonellineME6587195570C01004--
TRIMETHYLAMINETrimethylamineME6587201146C00565--
TRYPTAMINETryptamineME6587211150C00398--
TRYPTOPHANTryptophanME6587226305C00806--
TRYPTOPHANAMIDETryptophanamideME658724439356C00977--
TRYPTOPHAN BETAINE (*)LenticinME658723442106C09213--
TYROSINETyrosineME6587256057C01536--
TYROSINE (*)TyrosineME6587266057C00082--
URATEUric acidME6587271175C00366--
URATE (*)Uric acidME6587281175C00366--
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE-ME658729-CA1401--
UREAUreaME6587301176C00086--
URIDINEUridineME6587316029C00299--
URIDINE-5-MONOPHOSPHATEUMPME6587326030C00105--
UROCANATEUrocanic acidME6587331549103C00785--
URSODIOLUrsodeoxycholic acidME65873431401C07880--
VALINEValineME6587356287C16436--
VALINE (*)ValineME6587366287C00183--
VITAMIN D2Vitamin D2ME6587375280793C05441--
VITAMIN D3Vitamin D3ME65873810883523C05443--
XANTHINEXanthineME6587391188C00385--
XANTHOSINEXanthosineME65874064959C01762--
XANTHURENIC ACIDXanthurenic acidME6587415699C02470--


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-dioneME65875894141C05284--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME658756-CA1375--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6587596238C01176--
17BETA-HYDROXYANDROSTAN-3-ONE5alpha-DihydrotesosteroneME65876010635C03917--
1-AMINOCYCLOPROPANE-1-CARBOXYLATE1-Aminocyclopropanecarboxylic acidME658757535C01234--
2,3,5,6-TETRACHLOROPHENOL2,3,5,6-TetrachlorophenolME65876113636C15505--
2,3-DIHYDROXYBENZOATE2-Pyrocatechuic acidME65876219C00196--
2,3-DIPHOSPHO-D-GLYCERIC ACID2,3-Diphosphoglyceric acidME658763186004C01159--
2`,4`-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6587736990C03663--
2,4-DIHYDROXYPTERIDINELumazineME65876410250C03212--
2,5-DIOXOPIPERAZINECyclo(Gly-Gly)ME6587657817C02777--
2-AMINOPHENOL2-AminophenolME6587665801C01987--
2`-DEOXYADENOSINEDeoxyadenosineME65877413730C00559--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME658775188966C00206--
2`-DEOXYCYTIDINEDeoxycytidineME65877613711C00881--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME658777150855C00705--
2`-DEOXYCYTIDINE 5`-MONOPHOSPHATEdCMPME65877813945C00239--
2`-DEOXYURIDINE 5`-TRIPHOSPHATEUTPME6587796133C00460--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME65876711266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME65876811914C01983--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6587696038C06338--
2-HYDROXYSTEARATE (*)2-Hydroxystearic acidME658770439887C03045--
2-OXOADIPATEOxoadipic acidME65877171C00322--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6587727124C06325--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME658783873C01198--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME65878072C00230--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME65878191528CA1222--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6587849378C03672--
3,5-DIBROMO-4-HYDROXYBENZONITRILE3,5-Dibromo-4-hydroxybenzonitrileME65878215531C04178--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6588009903C03990--
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATEDehydroepiandrosterone sulfateME65880112594C04555--
3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPANOATE3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME658785123979K25632--
3-DEHYDROSHIKIMATE3-Dehydroshikimic acidME658786439774C02637--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6587871662C03761--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME65878986C00632--
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME658790101C03067--
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME658791102C03351--
3-HYDROXYBUTANOIC ACID3-Hydroxybutyric acidME658792441C01089--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME65878889C02794--
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6587939307CA1364--
3-METHOXYTYRAMINE3-MethoxytyramineME6587941669C05587--
3-METHYL-2-OXINDOLE3-MethyloxindoleME658795150923CA1325--
3-METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME65879647C03465--
3-METHYLADENINE3-MethyladenineME6587971673C00913--
3-NITRO-L-TYROSINENitrotyrosineME658798235719CA1195--
3-SULFINO-L-ALANINE3-Sulfino-alanineME6587991549098C00606--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME65880218189C02946--
4-AMINOBENZOATEp-Aminobenzoic acidME658803978C00568--
4-ANDROSTEN-3BETA,17BETA-DIOL DISULFATE (*)4-Androsten-3beta,17beta-diol disulfateME65880410634C04295--
4-COUMARATEcis-p-Coumaric acidME658805637542C00811--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME658806500C01035--
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME6588073845C01717--
4-HYDROXY-3-METHOXY-BENZENEMETHANOL4-Hydroxy-3-methoxybenzenemethanolME65880862348C06317--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME658809736172C05584--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME65881010805CA1410--
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME658812126C00633--
4-HYDROXY-L-PHENYLGLYCINE4-HydroxyphenylglycineME65881136143CA1445--
4-HYDROXYPHENYLACETATE4-Hydroxyphenyl acetateME658813127C00642--
4-NITROPHENOL4-NitrophenolME658814980C00870--
4-PYRIDOXATE4-Pyridoxic acidME6588156723C00847--
4-VINYLPHENOL SULFATE (*)4-HydroxystyreneME65881662453C05627--
5,6-DIHYDROURACILDihydrouracilME658817649C00429--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME658818-CA1116--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME658819137C00430--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6588211826C05635--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME658820439280C00643--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME65882278168C03088--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME658825439176C00170--
5-OXO-PROLINEPyroglutamic acidME658823499C01879--
5-PHOSPHO-ALPHA-D-RIBOSEPhosphoribosyl pyrophosphateME6588247339C00119--
6-CARBOXYHEXANOATEPimelic acidME658826385C02656--
6-HYDROXYNICOTINATE6-Hydroxynicotinic acidME65882772924C01020--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME65882891493C00345--
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE (*)7alpha-Hydroxy-3-oxo-4-cholestenoic acidME65882953481411C17337--
ACENAPHTHENEQUINONEAcenaphthenequinoneME6588306724C02807--
ACETYLENEDICARBOXYLATEAcetylenedicarboxylic acidME658831371C03248--
ACONITATE (*)trans-Aconitic acidME658832444212C00417--
ADENINEAdenineME658833190C00147--
ADENOSINEAdenosineME65883460961C00212--
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6588356076C00575--
ADENOSINE 5`-DIPHOSPHATEADPME6588366022C00008--
ADENOSINE 5`-MONOPHOSPHATEAMPME6588376083C00020--
ADIPIC ACIDAdipic acidME658838196CA1042--
ALDOSTERONEAldosteroneME6588395839C01780--
ALLANTOINAllantoinME658840204C01551--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME65884151C00026--
ALPHA-TOCOPHEROL (*)alpha-TocopherolME65884214985C02477--
AMINOBUTANOIC ACIDAminobutyric acidME658843119CA1498--
AMINOHEXANOIC ACIDAminocaproic acidME658844564CA1502--
AMINOHYDROXYBUTANOIC ACID-ME658845-CA1508--
AMINOPENTANOIC ACIDAminopentanoic acidME658846-CA1501--
ANANDAMIDEArachidonoyl-EAME6588475281969C11695--
ANDROSTERONE SULFATE (*)5alpha-Androstane-3alpha-ol-17-one sulfateME65884810634C04295--
ANILINE-2-SULFONIC ACID2-Aminobenzenesulfonic acidME6588496926CA1341--
ANTHRANILATE2-Aminobenzoic acidME658850227C00108--
ARACHIDIC ACIDArachidic acidME65885110467C06425--
ARACHIDONATEArachidonic acidME658852444899C00219--
ARACHIDONOYLGLYCEROPHOSPHOETHANOLAMINE (*)-ME658853-K22267--
ARACHIDONOYLGLYCEROPHOSPHOINOSITOL (*)-ME658854-K24042--
ARGININEArginineME6588556322C02385--
ASPARAGINEAsparagineME6588566267C16438--
ASPARTATEAspartic acidME6588575960C16433--
AZELAIC ACIDAzelaic acidME6588582266C08261--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME658859112072C01262--
BEHENIC ACIDBehenic acidME6588608215C08281--
BENZOATEBenzoic acidME658861243C00180--
BENZOINBenzoinME6588628400C01408--
BILIVERDINBiliverdinME6588635280353C00500--
BIOTINBiotinME658864171548C00120--
BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH-ME658865-CA1419--
BOC-ALA-ME658866----
BOC-ALA-OH-ME658867-CA1333--
BOC-ASN-ME658868----
BOC-ASN-OH-ME65886982035C01410--
BOC-ASP-OH-ME658870-CA1350--
BOC-GLY-OH-ME658871-CA1201--
BOC-HIS-OH-ME658872-CA1336--
BOC-MET-OH-ME658873-CA1332--
BOC-PHE-OH-ME658874-CA1334--
BOC-PRO-OH-ME658875-CA1335--
BOC-SER-OH-ME658876-CA1423--
BOC-THR-OH-ME658877-CA1425--
[C13] METHIONINEMethionineME6591416137C01733--
[C13] PHENYLALANINEPhenylalanineME6591426140C02057--
[C13] TYROSINETyrosineME6591436057C01536--
[C13] VALINEValineME6591446287C00719--
CAPECITABINECapecitabineME65887860953C12650--
CAPRYLIC ACIDCaprylic acidME658879379C06423--
CARNOSINECarnosineME658880439224C00386--
CATECHOLPyrocatecholME658881289C00090--
CHENODEOXYCHOLATEChenodeoxycholic acidME65888210133C02528--
CHOLATECholic acidME658883221493C00695--
CHOLESTEROL (*)CholesterolME6588845997C00187--
CHOLESTEROL SULFATECholesterol sulfateME65888565076CA1523--
CHOLINE PHOSPHATECholine phosphateME658886135437C00588--
CINNAMIC ACIDtrans-Cinnamic acidME6588875372954C10438--
CINNAMOYLGLYCINE (*)CinnamoylglycineME658888709625K24551--
CIS-11-EICOSENOIC ACIDcis-Gondoic acidME6588895282768CA1166--
CIS-7,10,13,16-DOCOSATETRAENOIC ACIDAdrenic acidME6588905497181CA1260--
CITRATECitric acidME658891311C00158--
CITRULLINECitrullineME6588929750C00327--
COENZYME ACoenzyme AME65889387642C00010--
CORTICOSTERONECorticosteroneME6588945753C02140--
CORTISOL 21-ACETATECortisol 21-acetateME6588955744C02821--
CREATINECreatineME658896586C00300--
CYCLOHEPTANECARBOXYLIC ACIDCycloheptanecarboxylic acidME65889715091C12104--
CYCLOHEX-1-ENECARBOXYLIC ACIDCyclohex-1-enecarboxylic acidME65889869470C12101--
CYS-GLYCys-GlyME658899439498C01419--
CYSTATHIONINECystathionineME658900439258C00542--
CYSTEIC ACIDCysteic acidME65890172886C00506--
CYSTINECystineME658902595C01420--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE2',3' cyclic CMPME65890368934C02354--
CYTIDINE 5`-DIPHOSPHATECDPME6589046132C00112--
CYTIDINE 5`-DIPHOSPHOCHOLINECDP-cholineME65890513804C00307--
CYTIDINE 5`-TRIPHOSPHATECTPME6589066176C00063--
DECANOATECapric acidME6589072969C01571--
DEHYDROISOANDROSTERONE 3-SULFATEDehydroepiandrosterone sulfateME65890812594CA1407--
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME6589095952C14554--
DEOXYRIBOSEDeoxyriboseME6589109828112C01801--
DEOXYURIDINEDeoxyuridineME65891113712C00526--
DESMETHYLNAPROXEN SULFATE (*)Desmethylnaproxen sulfateME658912-K25428--
DETHIOBIOTINDethiobiotinME658913445027C01909--
DIETHYL 2-METHYL-3-OXOSUCCINATE4-Heptenal diethyl acetalME65891497750C04067--
DIHEXOSE-ME658915-CA1495--
DIHOMO-LINOLEATE (*)11Z,14Z-Eicosadienoic acidME6589166439848C16525--
DIHOMO-LINOLENATE (*)-ME6589176439848C03242--
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME658918668C00111--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME658919675C03114--
DIMETHYLURATE (*)1,7-Dimethyluric acidME65892091611C16356--
DIMETHYLXANTHINE-ME658921-CA1507--
DIMETHYLXANTHINE (*)-ME658922-CA1507--
DOCOSADIENOATE (*)Docosadienoic acidME6589235312554C16533--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME658924445580C06429--
DOCOSAPENTAENOATE (*)Docosapentaenoic acidME6589255497182C16513--
DODECANEDIOATE (*)Dodecanedioic acidME65892612736C02678--
DODECENOATE (*)Dodecenoic acidME658927-K23296--
EDTA (*)Edetic acidME6589286049C00284--
ERUCIC ACIDcis-Erucic acidME6589295281116C08316--
ERYTHRITOLErythritolME658930222285C00503--
ESTRADIOL-17BETAbeta-EstradiolME6589315757C00951--
ESTRONEEstroneME6589325870C00468--
ETHYLENEDIAMINETETRAACETIC (EDTA) ACIDEdetic acidME6589336049C00284--
FERULATEtrans-Ferulic acidME658934445858C01494--
FLAVIN ADENINE DINUCLEOTIDEFADME658935643975C00016--
FORMYL-L-METHIONINEN-FormylmethionineME6589366995182C03145--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME658937172313C00354--
FUMARIC ACIDFumaric acidME658938444972C00122--
GAMMA-LINOLENIC ACIDgamma-Linolenic acidME6589395280933C06426--
GERANYL PYROPHOSPHATEGeranyl diphosphateME658940447277C00353--
GLUCOSAMINATEGlucosaminic acidME65894173563C03752--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME658942439217C00352--
GLUCURONOLACTONEGlucuronolactoneME658943439782C02670--
GLUTAMIC ACIDGlutamic acidME65894433032C00302--
GLUTAMINEGlutamineME6589455961C00303--
GLUTARATEGlutaric acidME658946743C00489--
GLYCERIC ACIDGlyceric acidME658947439194C00258--
GLYCEROL PHOSPHATEsn-Glycero-3-phosphateME658948439162CA1512--
GLYCOCHENODEOXYCHOLATE / GLYCODEOXYCHOLATE (*)Glycodeoxycholic acidME65894922833539C05464--
GLYCOCHOLATEGlycocholic acidME65895010140C01921--
GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATE (*)Glycodeoxycholic acidME65895122833539C05464--
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME658952-CA1349--
GLYOXYLATEGlyoxylic acidME658953760C00048--
GUANIDINOACETATEGuanidoacetic acidME658954763C00581--
GUANOSINEGuanosineME6589556802C00387--
GUANOSINE 5`-DIPHOSPHATEGDPME6589578977C00035--
GUANOSINE 5` MONOPHOSPHATEGMPME6589566804C00144--
GUANOSINE 5`-TRIPHOSPHATEGTPME6589586830C00044--
GULONO-1,4-LACTONED-GulonolactoneME658959165105C05410--
HEPTADECANOATEMargaric acidME65896010465CA1365--
HEPTADECENOATE (*)Heptadecenoic acidME658961-K22942--
HEPTANOIC ACIDHeptylic acidME6589628094CA1393--
HEXACOSANOIC ACIDCerotic acidME65896310469CA1352--
HEXADECANEDIOATE (*)Hexadecanedioic acidME65896410459C19615--
HEXANOATECaproic acidME6589658892C01585--
HEXITOLSorbitolME658966453CA1510--
HEXURONIC ACIDHexuronic acidME658967152867CA1503--
HIPPURATEHippuric acidME658968464C01586--
HOMOVANILLATEHomovanillic acidME6589691738C05582--
HYDROXYACETAMINOPHEN SULFATE (*)Hydroxyacetaminophen sulfateME658970-K24525--
HYDROXYBENZOIC ACIDHydroxybenzoic acidME658971135CA1517--
HYDROXYDECANOATE (*)Hydroxydecanoic acidME658972-K21895--
HYDROXYISOVALERATE (*)-ME658973-K23382--
HYPOTAURINEHypotaurineME658974107812C00519--
HYPOXANTHINEHypoxanthineME658975790C00262--
INDICANIndicanME65897692769C08481--
INDOLE-3-ACETALDEHYDEIndoleacetaldehydeME658977800C00637--
INDOLE-3-ACETIC ACIDIndoleacetic acidME658978802C00954--
INDOLE-3-ETHANOLTryptophanolME65897910685C00955--
INDOLEPROPIONATE (*)3-Indolepropionic acidME6589803744K25954--
INOSINEInosineME6589816021C00294--
INOSINE 5`-DIPHOSPHATEIDPME6589826831C00104--
INOSINE 5`-MONOPHOSPHATEIMPME6589838582C00130--
INOSINE 5`-TRIPHOSPHATEITPME6589848583C00081--
ISOLEUCINE/LEUCINE (*)Leucine/IsoleucineME6589856306C00407--
KYNURENINEKynurenineME658986161166C01718--
LACTATE (*)Lactic acidME658987107689C00186--
LAURIC ACIDLauric acidME6589883893C02679--
LAUROYLCARNITINECAR 12:0ME65898910427569CA1406--
LEUCENOLMimosineME658990440473C04771--
LIGNOCERIC ACIDLignoceric acidME65899111197C08320--
LINOLEATELinoleic acidME6589925280450C01595--
LINOLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:2ME658993-K24671--
LIPOAMIDELipoamideME658994863C00248--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6589951549100C00666--
LUMICHROMELumichromeME6589965326566C01727--
MALATEMalic acidME658997222656C00711--
MALONATEMalonic acidME658998867C00383--
MELATONINMelatoninME658999896C01598--
MERCAPTOPYRUVATE3-Mercaptopyruvic acidME65900098C00957--
METHIONINEMethionineME6590016137C01733--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME65900294214C03619--
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME65900374706CA1231--
MONO-METHYL GLUTARATEMonomethyl glutaric acidME65900473917CA1015--
MYO-INOSITOLMyo-inositolME659005892C00137--
MYRISTIC ACIDMyristic acidME65900611005C06424--
MYRISTOLEIC ACIDMyristoleic acidME6590075281119C08322--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME65903092180C04083--
N-ACETYL-D-GALACTOSAMINEN-AcetylgalactosamineME65901135717C01132--
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME65901370914CA1454--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME659014448580CA1210--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME659012439917C03137--
N-ACETYLGLYCINEN-AcetylglycineME65901910972CA1212--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME65901565065CA1200--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME65901612035CE1310--
N-ACETYL-L-LEUCINEN-AcetylleucineME65901775619C02710--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME65901874839C03519--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME659020439197C00270--
N-ACETYLSEROTONINN-AcetylserotoninME659021903C00978--
NADPNADPME6590315886C00006--
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME659022-CA1214--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME65902392907CA1219--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME65902414349C03710--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME65902513017C11519--
N-CYCLOHEXYLSULFAMIC ACIDCyclamic acidME6590267533CA1328--
NERVONIC ACIDNervonic acidME6590325281120C08323--
N-FORMYLGLYCINEN-FormylglycineME65902775606CA1268--
NICOTINAMIDENiacinamideME659033936C00153--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME659034123953C13051--
N-METHYLTRYPTAMINEN-MethyltryptamineME6590286088C06213--
N,N`-DIACETYL-CYSTINE-ME659010-CA1519--
N-OLEOYLGLYCINEN-Oleoyl glycineME6590296436908CA1254--
NONADECANOATE / METHYLSTEARATE (*)Nonadecylic acidME65903512591C16535--
NONADECENOATE (*)Nonadecenoic acidME659036-C00174--
NONANOATEPelargonic acidME6590378158C01601--
NORMETANEPHRINENormetanephrineME6590381237CA1379--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME65900864969C01152--
N(PAI)-METHYL-L-HISTIDINE (*)3-MethylhistidineME65900964969C01152--
O-ACETYL-L-CARNITINECAR 2:0ME6590391C02571--
OCTADECANEDIOATE (*)Octadecanedioic acidME65904370095K26463--
OCTOPAMINEOctopamineME659044440266C04227--
OLEATEOleic acidME659045445639C00712--
OLEOYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:1ME659046-K21510--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME659040106CA1209--
O-PHOSPHONOHEXOPYRANOSE-ME659041-CA1494--
OPHTHALMIC ACIDOphthalmic acidME6590477018721CA1475--
ORNITHINEOrnithineME6590486262C00515--
OROTATEOrotic acidME659049967C00295--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME659042439406C01118--
OXALATEOxalic acidME659050971C00209--
OXOMALONATEMesoxalic acidME65905110132C00830--
P-ACETAMIDOPHENYLGLUCURONIDE (*)p-AcetamidophenylglucuronideME6590524022661K23498--
PALMITIC ACIDPalmitic acidME659054985C00249--
PALMITOLEATE (*)Palmitoleic acidME659055445638C08362--
PALMITOLEIC ACIDPalmitoleic acidME659056445638C08362--
PALMITOYLGLYCEROPHOSPHOETHANOLAMINE / PALMITOYLPLA...-ME659057-K22338--
PALMITOYLGLYCEROPHOSPHOINOSITOL (*)LPI 16:0ME659058-K25208--
PANTOATE(R)-Pantoic acidME659059439251C00522--
PANTOTHENIC ACIDPantothenic acidME659060988C00864--
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME65905385681CA1463--
PENTITOLArabitolME659061827CA1511--
PHENYLACETALDEHYDEPhenylacetaldehydeME659062998C00601--
PHENYLACETATE (*)Phenyl acetateME659063999C07086--
PHENYLALANINEPhenylalanineME6590646140C02057--
PHENYLPYRUVATEPhenylpyruvic acidME659065997C00166--
PHOSPHATEPhosphoric acidME6590661004C00009--
PHOSPHOCREATINEPhosphocreatineME659068587C02305--
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME6590671005C00074--
PHOSPHOETHANOLAMINEPhosphoethanolamineME6590691015C00346--
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME659070724CA1497--
PHOSPHONOACETATEPhosphonoacetic acidME659071546C05682--
PHTHALATEPhthalic acidME6590721017C01606--
PHYTIC ACIDMyo-inositol hexakisphosphateME659073890C01204--
PREGNENOLONEPregnenoloneME6590758955C01953--
PREGN STEROID MONOSULFATE (*)Pregnenolone sulfateME659074105074C18044--
PROGESTERONEProgesteroneME6590765994C00410--
PROLINEProlineME659077145742C16435--
PROMETRYNPrometrynME6590784929CA1277--
PTERINPterinME65907973000CA1303--
PURINEPurineME6590801044C00465--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6590821066C03722--
PYRIDINE CARBOXYLIC ACID-ME659081-CA1509--
PYRIDOXALPyridoxalME6590831050C00250--
PYRIDOXINEPyridoxineME6590841054C00314--
PYRUVATEPyruvic acidME6590851060C00022--
QUINATEQuinic acidME6590866508C00296--
RAFFINOSERaffinoseME659087439242C00492--
RETINOATERetinoic acidME659088444795C00777--
RIBOFLAVINRiboflavinME659089493570C00255--
RIBOSE 5-PHOSPHATERibose 5-phosphateME659090439167C00117--
ROSMARINIC ACIDRosmarinic acidME6590915281792C10489--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME659092439155C00021--
SALICYLAMIDESalicylamideME6590955147CA1193--
SALICYLATE (*)Salicylic acidME659096338C00805--
SALICYLIC ACIDSalicylic acidME659097338CA1067--
SALICYLURIC GLUCURONIDE (*)Salicyluric glucuronideME659098-K24500--
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME659093193653C03727--
(S)-DIHYDROOROTATE4,5-Dihydroorotic acidME658754648C00337--
SELENOMETHIONINESelenomethionineME65909915103C05335--
SERINESerineME6591005951C00716--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME65909497536C02886--
SHIKIMATEShikimic acidME6591018742C00493--
(S)-LACTATELactic acidME658755107689C00186--
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME659102657272C00670--
STACHYOSEStachyoseME659103439531C01613--
STEARATEStearic acidME6591045281C01530--
STEARIDONATE (*)Stearidonic acidME6591055282837C16300--
STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)LPE 18:0ME659106-K24332--
SUCCINATESuccinic acidME6591071110C00042--
TARTARIC ACIDTartaric acidME659108444305C01534--
TAURINETaurineME6591091123C00245--
TAUROCHENODEOXYCHOLATE (*)Taurochenodeoxycholic acidME659110387316C05465--
TAUROCHOLATE (*)Taurocholic acidME6591116675C05122--
TAUROLITHOCHOLATETaurolithocholic acidME659112439763C02592--
TESTOSTERONETestosteroneME6591136013C00535--
THIAMINE PYROPHOSPHATEThiamine diphosphateME6591151132C00068--
THIAMIN MONOPHOSPHATEThiamine monophosphateME6591143382778C01081--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6591165778C03542--
THREONATE (*)Threonic acidME659117151152C01620--
THYMIDINEThymidineME6591185789C00214--
THYMINEThymineME6591191135C00178--
THYROTROPIN RELEASING HORMONEThyrotropin releasing hormoneME659120638678C03958--
THYROXINEThyroxineME6591215819C01829--
TRICOSANOIC ACIDTricosylic acidME65912217085CA1269--
TRIDECANOIC ACIDTridecylic acidME65912312530CA1367--
TRYPTOPHAN (*)TryptophanME6591246305C00078--
TRYPTOPHANAMIDETryptophanamideME659125439356C00977--
TYRAMINETyramineME6591265610C00483--
URACILUracilME6591271174C00106--
URATEUric acidME6591281175C00366--
URIDINEUridineME6591296029C00299--
URIDINE 5`-DIPHOSPHATEUDPME6591306031C00015--
URIDINE 5`-DIPHOSPHOGLUCOSEUDP-glucoseME65913153477679C00029--
URIDINE 5`-TRIPHOSPHATEUTPME6591326133C00075--
UROCANATEUrocanic acidME6591331549103C00785--
URSODIOLUrsodeoxycholic acidME65913431401C07880--
VITAMIN B12Vitamin B12ME65913516212801C05776--
XANTHINEXanthineME6591361188C00385--
XANTHOSINEXanthosineME65913764959C01762--
XANTHOSINE 5`-MONOPHOSPHATEXMPME65913873323C00655--
XANTHURENIC ACIDXanthurenic acidME6591395699C02470--
XYLONATE (*)Xylonic acidME6591406602431C00502--


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