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Analysis: Reversed phase UNSPECIFIED 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 acidME552345----
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME552346----
10-Undecenoic acid10-Hendecenoic acidME552347----
1-METHYLADENOSINE1-MethyladenosineME552344----
1-METHYL-L-HISTIDINE1-MethylhistidineME552343----
2,3-DIHYDROXYBENZOATE2-Pyrocatechuic acidME552356----
2,5-DIHYDROXYBENZOATEGentisic acidME552357----
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINEN-Acetyl-beta-glucosaminylamineME552348----
2-Ethyl-2-hydroxybutyric acid2-Ethyl-2-hydroxybutyric acidME552349----
2-HYDROXY-4-(METHYLTHIO)BUTANOATE2-Hydroxy-4-(methylthio)butanoic acidME552350----
2-HYDROXYBUTYRATE2-Hydroxybutyric acidME552351----
2-HYDROXYGLUTARIC2-Hydroxyglutaric acidME552352----
2-Hydroxyhexadecanoic acid2-Hydroxypalmitic acidME552353----
2-Hydroxyhexanoic acid2-Hydroxyhexanoic acidME552354----
2-Hydroxytetradecanoic acid2-Hydroxymyristic acidME552355----
3,3-Dimethylglutaric acid-ME552369----
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME552370----
3,4-DIHYDROXYPHENYLACETATE-23,4-Dihydroxybenzeneacetic acidME552371----
(3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-12-OXOCHOLAN-2...-ME552340----
3-HYDROXYBENZALDEHYDE3-HydroxybenzaldehydeME552358----
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME552359----
3-HYDROXYMETHYLGLUTARATE3-Hydroxymethylglutaric acidME552360----
3-Hydroxyoctanoic acid3-Hydroxyoctanoic acidME552361----
3-Hydroxysebacic acid3-Hydroxysebacic acidME552362----
3-METHYL-2-OXINDOLE3-MethyloxindoleME552363----
3-METHYLADENINE-33-MethyladenineME552364----
3-MethylglutarylcarnitineCAR DC5:0;3MeME552365----
3-METHYLHISTAMINE3-MethylhistamineME552366----
3-PHOSPHOGLYCERATE3-Phosphoglyceric acidME552367----
[(3R)-3-Hydroxydodecanoyl]-L-carnitineCarnitineME552341----
[(3R)-3-Hydroxyhexadecanoyl]-L-carnitineCarnitineME552342----
3-SULFINOALANINE3-Sulfino-alanineME552368----
4-ACETYLBUTYRATE5-Ketocaproic acidME552372----
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME552373----
4-HYDROXYBENZALDEHYDE4-HydroxybenzaldehydeME552374----
4-HYDROXYBENZOATE4-Hydroxybenzoic acidME552375----
4-Hydroxyphenyl-2-propionic acid4-Hydroxyphenyl-2-propionic acidME552376----
4-HYDROXYPHENYLPYRUVATE4-Hydroxyphenylpyruvic acidME552377----
4-METHYLCATECHOL4-MethylcatecholME552378----
4-PYRIDOXATE4-Pyridoxic acidME552379----
5,6 DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME552383----
5-Aminopentanoic acid5-Aminopentanoic acidME552380----
5'-DEOXYADENOSINE5'-DeoxyadenosineME552384----
5-HYDROXYINDOLEACETATE5-Hydroxyindoleacetic acidME552381----
5-HYDROXYTRYPTOPHAN5-Hydroxy-tryptophanME552382----
6-CARBOXYHEXANOATEPimelic acidME552385----
6-HYDROXYDOPAMINE6-HydroxydopamineME552386----
6-PHOSPHOGLUCONATE6-Phosphogluconic acidME552387----
7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid-ME552388----
7-HYDROXYOCTANOATE7-Hydroxyoctanoic acidME552389----
8-HYDROXY-DEOXYGUANOSINE8-Hydroxy-deoxyguanosineME552390----
ACETOACETATEAcetoacetic acidME552391----
ACETOINAcetoinME552392----
ADENINEAdenineME552393----
ADENOSINEAdenosineME552394----
ADENOSINE-MONOPHOSPHATEAMPME552395----
ADIPATEAdipic acidME552396----
Adipoyl-L-carnitineCAR DC6:0ME552397----
AICARAICARME552398----
ALLANTOINAllantoinME552399----
ALPHA-KETOISOVALERATEKetoisovaleric acidME552400----
AMINOADIPATEAminoadipic acidME552401----
ARABINOSEArabinoseME552402----
ARABITOLArabitolME552403----
ARGININEArginineME552404----
ASCORBATEVitamin CME552405----
ASPARAGINEAsparagineME552406----
ASPARTATEAspartic acidME552407----
AZELATEAzelaic acidME552408----
BENZOATEBenzoic acidME552409----
BENZYL ALCOHOLBenzyl alcoholME552410----
BETAINEBetaineME552412----
BETAINE ALDEHYDEBetaine aldehydeME552413----
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE-2NAD+ME552411----
BIOTINBiotinME552414----
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME552415----
BUTANOATEButyric acidME552416----
ButyrylcarnitineCAR 4:0ME552417----
CAPRYLOYLGLYCINECapryloylglycineME552418----
CARNOSINECarnosineME552419----
CDP-ETHANOLAMINECDP-EthanolamineME552420----
Chenodeoxycholic acidChenodeoxycholic acidME552421----
CHOLATECholic acidME552422----
CITICOLINE-1CDP-cholineME552423----
CITRATECitric acidME552424----
CITRULLINECitrullineME552425----
CORTEXOLONE11-DeoxycortisolME552426----
CORTISOLCortisolME552427----
CortisoneCortisoneME552428----
CREATINECreatineME552429----
CREATININECreatinineME552430----
Cyclic ADP-riboseCyclic ADP-riboseME552431----
CYCLIC AMP3',5' cyclic AMPME552432----
CYSTATHIONINECystathionineME552433----
CYTIDINECytidineME552434----
CYTIDINE 2',3'-CYCLIC PHOSPHATE-1-ME552435----
CYTIDINE DIPHOSPHATECDPME552436----
CYTIDINE MONOPHOSPHATECMPME552437----
CYTOSINECytosineME552438----
decanoylcarnitineCAR 10:0ME552440----
DEOXYADENOSINEDeoxyadenosineME552441----
DEOXYCARNITINE3-DehydroxycarnitineME552442----
DEOXYCHOLATEDeoxycholic acidME552443----
DEOXYGUANOSINEDeoxyguanosineME552444----
DEOXYGUANOSINE-MONOPHOSPHATEdGMPME552445----
DEOXYURIDINEDeoxyuridineME552446----
D-GLUCURONOLACTONEGlucuronolactoneME552439----
DIAMINOPIMELATE2,6-Diaminopimelic acidME552447----
DIHYDROURACIL-1DihydrouracilME552448----
DIMETHYLGLYCINEDimethylglycineME552449----
DL-2-AMINOCTANOATE-ME552450----
DOCOSAHEXAENOATEDocosahexaenoic acidME552451----
EICOSAPENTAENOATEEicosapentaenoic acidME552452----
ETHANOLAMINE PHOSPHATEPhosphoethanolamineME552453----
FADFADME552454----
FERULATEtrans-Ferulic acidME552455----
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME552456----
FRUCTOSE 6-PHOSPHATEFructose 6-phosphateME552457----
FUMARATEFumaric acidME552458----
GAMMA-LINOLENATEgamma-Linolenic acidME552459----
GLUCONATEGluconic acidME552460----
GLUCURONATEGlucuronic acidME552461----
GLUTAMATEGlutamic acidME552462----
GLUTAMINEGlutamineME552463----
GLUTARATEGlutaric acidME552464----
GLUTATHIONE REDUCEDGlutathioneME552465----
GLYCERALDEHYDE 3-PHOSPHATEGlyceraldehyde 3-phosphateME552466----
GLYCERATEGlyceric acidME552467----
GLYCEROL 3-PHOSPHATEsn-Glycero-3-phosphateME552468----
GLYCEROPHOSPHOCHOLINEsn-Glycero-3-phosphocholineME552469----
GLYCOCHENODEOXYCHOLATEGlycochenodeoxycholic acidME552470----
GLYCOCHOLATEGlycocholic acidME552471----
Glycocholic acid hydrateGlycocholic acidME552472----
Glycohyodeoxycholic AcidGlycohyodeoxycholic acidME552473----
GLYCOLATEGlycolic acidME552474----
GUANIDINOSUCCINATEGuanidinosuccinic acidME552475----
GUANINE-1GuanineME552476----
GUANOSINEGuanosineME552477----
GUANOSINE MONOPHOSPHATEGMPME552478----
hexanoylcarnitineCAR 6:0ME552479----
HEXANOYLGLYCINEHexanoylglycineME552480----
HEXOSEHexoseME552481----
HIPPURATEHippuric acidME552482----
HISTIDINEHistidineME552483----
HOMOCYSTEICHomocysteic acidME552484----
HOMOGENTISATEHomogentisic acidME552485----
HOMOSERINEHomoserineME552486----
HYDROQUINONEHydroquinoneME552487----
HYDROXYISOCAPROIC-ME552488----
HYDROXYPHENYLLACTATEHydroxyphenyllactic acidME552489----
HYDROXYPYRUVATEHydroxypyruvic acidME552490----
Hyodeoxycholic acidHyodeoxycholic acidME552491----
HYPOTAURINEHypotaurineME552492----
HYPOXANTHINEHypoxanthineME552493----
INDOLE-3-ETHANOLTryptophanolME552494----
INOSINEInosineME552495----
INOSINE MONOPHOSPHATEIMPME552496----
ISOCITRATEIsocitric acidME552497----
ISOLEUCINEIsoleucineME552498----
IsovalerylcarnitineCAR 4:0;3MeME552499----
ITACONATEItaconic acidME552500----
KYNURENINEKynurenineME552501----
LACTATELactic acidME552506----
LACTOSELactoseME552507----
LactoylglutathioneS-LactoylglutathioneME552508----
L-ALANINEAlanineME552502----
LAUROYLCARNITINECAR 12:0ME552509----
L-CARNITINECarnitineME552503----
LEUCINELeucineME552510----
L-GULONOLACTONEL-GulonolactoneME552504----
LINOLEATELinoleic acidME552511----
L-ORNITHINEOrnithineME552505----
LPC(16:0)LPC 16:0ME552512----
LPC(18:1)LPC 18:1ME552513----
LPE(16:0)LPE 16:0ME552514----
LPE(18:1)LPE 18:1ME552515----
LUMICHROMELumichromeME552516----
LYSINELysineME552517----
MALATEMalic acidME552518----
MANDELATEMandelic acidME552519----
METHIONINE-1MethionineME552521----
METHIONINE-2MethionineME552522----
METHIONINE SULFOXIDEMethionine sulfoxideME552520----
METHYLTHIOADENOSINEMethylthioadenosineME552523----
Muricholic AcidMuricholic acidME552524----
Murideoxycholic AcidMurideoxycholic acidME552525----
N-a-Acetyl-L-arginineN-AcetylarginineME552526----
N-ACETYLASPARAGINEN-AcetylasparagineME552527----
N-ACETYLASPARTATEN-Acetylaspartic acidME552528----
N-ACETYLCYSTEINEN-AcetylcysteineME552529----
N-ACETYLGLUTAMATEN-Acetylglutamic acidME552530----
N-ACETYLGLYCINEN-AcetylglycineME552531----
N-ACETYLLEUCINEN-AcetylleucineME552532----
N-ACETYLMETHIONINEN-AcetylmethionineME552533----
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME552534----
N-ACETYLPHENYLALANINEN-AcetylphenylalanineME552535----
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME552536----
NAD+NAD+ME552542----
N-ALPHA-ACETYLLYSINEN(2)-AcetyllysineME552537----
N-FORMYL-L-METHIONINEN-FormylmethionineME552538----
NICOTINAMIDE-1NiacinamideME552544----
NICOTINAMIDE-2NiacinamideME552545----
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME552543----
N-METHYLGLUTAMATEN-Methyl-glutamic acidME552539----
N,N-DIMETHYLARGININEDimethylarginineME552540----
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME552541----
NORADRENALINEXi-NorepinephrineME552547----
Nor-Desoxycholic Acid23-Nordeoxycholic acidME552546----
O-ACETYLCARNITINECAR 2:0ME552548----
O-ACETYLSERINEO-AcetylserineME552549----
octanoylcarnitineCAR 8:0ME552551----
OLEATEOleic acidME552552----
Oleoyl-L-carnitineCAR 18:1ME552553----
OMEGA-HYDROXYDODECANOATE12-Hydroxy lauric acidME552554----
OPHTHALMATE-2Ophthalmic acidME552555----
O-Succinyl-L-carnitineCAR DC4:0ME552550----
OXIDIZED GLUTATHIONEOxidized glutathioneME552556----
OXOPROLINEOxoprolineME552557----
PALMITATEPalmitic acidME552558----
PALMITOYLCARNITINECAR 16:0ME552559----
PANTOTHENATEPantothenic acidME552560----
PHENYLALANINEPhenylalanineME552561----
PHENYLLACTATEPhenyllactic acidME552562----
PHOSPHOCREATINEPhosphocreatineME552563----
PHOSPHORYLCHOLINECholine phosphateME552564----
PIPECOLATEPipecolic acidME552565----
PREPHENATEPrephenic acidME552566----
PROLINEProlineME552567----
PROPIONYLCARNITINECAR 3:0ME552568----
PUTRESCINE-NH3PutrescineME552569----
PYRIDOXAL-PHOSPHATEPyridoxal 5'-phosphateME552570----
PYROCATECHOLPyrocatecholME552571----
PYROGLUTAMATEPyroglutamic acidME552572----
PYRUVATEPyruvic acidME552573----
RAFFINOSERaffinoseME552574----
RIBOFLAVINRiboflavinME552575----
SACCHARATEGlucaric acidME552579----
S-ADENOSYLHOMOCYSTEINE-1S-AdenosylhomocysteineME552576----
S-ADENOSYLMETHIONINES-AdenosylmethionineME552577----
SALICYLATESalicylic acidME552580----
SALSOLINOL-2SalsolinolME552581----
SARCOSINESarcosineME552582----
S-CARBOXYMETHYLCYSTEINES-Carboxymethyl-cysteineME552578----
SEBACATESebacic acidME552583----
SEDOHEPTULOSE-7-PHOSPHATESedoheptulose 7-phosphateME552584----
SERINESerineME552585----
SEROTONINSerotoninME552586----
Sodium glycochenodeoxycholateGlycochenodeoxycholic acidME552587----
Sodium taurochenodeoxycholateTaurochenodeoxycholic acidME552588----
Sodium tauroursodeoxycholateTauroursodeoxycholic acidME552589----
SPERMIDINESpermidineME552590----
SPERMINESpermineME552591----
STEAROYLCARNITINECAR 18:0ME552592----
SUBERATESuberic acidME552593----
SUCCINATESuccinic acidME552594----
TAURINETaurineME552595----
Tauro-?-muricholic acidTauromuricholic acidME552596----
TETRADECANOYLCARNITINECAR 14:0ME552597----
TETRAHYDROBIOPTERINSapropterinME552598----
THIAMINE MONOPHOSPHATEThiamine monophosphateME552599----
THREONINEThreonineME552600----
THYMIDINEThymidineME552601----
THYMIDINE-MONOPHOSPHATEdTMPME552602----
trans-2-Dodecenoyl-L-carnitine-ME552603----
TRANS-CINNAMALDEHYDECinnamaldehydeME552604----
Traumatic acidTraumatic acidME552605----
TRIGONELLINETrigonellineME552606----
TRYPTOPHANTryptophanME552607----
TYROSINETyrosineME552608----
undecanedioic acidUndecanedioic acidME552609----
URACIL-1UracilME552610----
URACIL-2UracilME552611----
URATE-1Uric acidME552612----
UREAUreaME552613----
URIDINEUridineME552614----
URIDINE 5'-DIPHOSPHATEUDPME552615----
URIDINE DIPHOSPHATE GLUCOSEUDP-glucoseME552616----
URIDINE DIPHOSPHATE-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME552617----
URIDINE MONOPHOSPHATEUMPME552618----
UROCANATEUrocanic acidME552619----
Ursocholic AcidUrsocholic acidME552620----
URSODEOXYCHOLATEUrsodeoxycholic acidME552621----
VALINEValineME552622----
XANTHINE-1XanthineME552623----
XANTHINE-2XanthineME552624----
XANTHOSINEXanthosineME552625----
XANTHURENATEXanthurenic acidME552626----


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