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Analysis: LC/Electro-spray /QTOF positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
O-ACETYL-L-CARNITINECAR 2:0ME6429741C02571--
5BETA-DIHYDROTESTOSTERONE5beta-DihydrotestosteroneME64284915C05293--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME64286651C00026--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64283472C00230--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME64284086C00632--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME64284189C02794--
ACETOACETATEAcetoacetic acidME64285896C00164--
ADP-RIBOSEADP-riboseME642862192C00301--
ALLANTOATEAllantoic acidME642864203C00499--
ALLANTOINAllantoinME642865204C01551--
HEXOSEHexoseME642926206C00738--
ANTHRANILATE2-Aminobenzoic acidME642869227C00108--
BETAINEBetaineME642874247C00719--
CADAVERINECadaverineME642879273C01672--
CITRATECitric acidME642881311C00158--
2,3-DIAMINOPROPIONIC ACID2,3-Diaminopropionic acidME642817364C03401--
4-NITROPHENYL PHOSPHATE4-Nitrophenyl phosphateME642846378C03360--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME642934397C02693--
METHYLMALONATEMethylmalonic acidME642955487C02170--
5-OXO-PROLINEPyroglutamic acidME642854499C01879--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME642844500C01035--
PHOSPHONOACETATEPhosphonoacetateME642987546C05682--
CREATINECreatineME642885586C00300--
CREATININE FROM COMPLEXCreatinineME642886588C00791--
CYSTINECystineME642888595C01420--
DIHYDROOROTATE4,5-Dihydroorotic acidME642896648C00337--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME642899675C03114--
GLUTARATEGlutaric acidME642916743C00489--
GLYCINEGlycineME642920750C00037--
GUANINEGuanineME642922764C00242--
HOMOCYSTEINEHomocysteineME642928778C05330--
HOMOGENTISATEHomogentisic acidME642929780C00544--
INDOLE-3-ACETALDEHYDEIndoleacetaldehydeME642933800C00637--
INDOLE-3-ACETIC ACIDIndoleacetic acidME642935802C00954--
INDOLEPYRUVATEIndolepyruvateME642937803C00331--
PIPECOLIC ACIDPipecolic acidME642988849C00408--
ALPHA-LIPOAMIDELipoamideME642867863C00248--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME642831873C01198--
MELATONINMelatoninME642950896C01598--
N-ACETYLSEROTONINN-AcetylserotoninME642968903C00978--
NICOTINAMIDENiacinamideME642970936C00153--
4-AMINOBENZOATEp-Aminobenzoic acidME642842978C00568--
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME642832979C01179--
PANTOTHENIC ACIDPantothenic acidME642980988C00864--
PHENYLACETIC ACIDPhenylacetic acidME642982999C07086--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME6429841000C02735--
PYRIDOXALPyridoxalME6429951050C00250--
PYRIDOXAMINEPyridoxamineME6429961052C00534--
SPERMIDINESpermidineME6430101102C00315--
SPERMINESpermineME6430111103C00750--
SUCCINATESuccinic acidME6430191110C00042--
TRIMETHYLAMINETrimethylamineME6430251146C00565--
URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINEUridine 5'-Diphospho-N-acetylgalactosamineME6430321167C00203--
URATEUric acidME6430281175C00366--
UREAUreaME6430291176C00086--
XANTHINEXanthineME6430371188C00385--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6428391662C03761--
HOMOVANILLATEHomovanillic acidME6429321738C05582--
THEOPHYLLINETheophyllineME6430212153C07130--
ESTRIOLEstriolME6429053269C05141--
KYNURENIC ACIDKynurenic acidME6429413845C01717--
P-BENZOQUINONEQuinoneME6429814650C00472--
PROMETRYNPrometrynME6429924929---
SEROTONINSerotoninME6430075202C00780--
XANTHURENIC ACIDXanthurenic acidME6430395699C02470--
CORTISOL 21-ACETATECortisol 21-acetateME6428845744C02821--
CORTICOSTERONECorticosteroneME6428825753C02140--
CORTISOLCortisolME6428835754C00735--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6430225778C03542--
THYMIDINEThymidineME6430235789C00214--
EPINEPHRINEEpinephrineME6429025816C00788--
THYROXINEThyroxineME6430245819C01829--
ALANINEAlanineME6428635950C01401--
GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME6429135958C00092--
GLUTAMINEGlutamineME6429155961C00303--
LYSINELysineME6429495962C16440--
TESTOSTERONETestosteroneME6430206013C00535--
INOSINEInosineME6429386021C00294--
URIDINEUridineME6430306029C00299--
URIDINE 5'-DIPHOSPHATEUDPME6430316031C00015--
FOLIC ACIDFolic acidME6429086037C00504--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6428296038C06338--
TYROSINETyrosineME6430276057C01536--
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6428606076C00575--
ADENOSINE 5'-MONOPHOSPHATEAMPME6428616083C00020--
[13C]-LEUCINELeucineME6428116106---
LEUCINELeucineME6429456106C16439--
METHIONINEMethionineME6429526137C01733--
CYTIDINECytidineME6428896175C00475--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6428156238C01176--
ORNITHINEOrnithineME6429776262C01602--
ASPARAGINEAsparagineME6428726267C16438--
HISTIDINEHistidineME6429276274C00768--
VALINEValineME6430356287C16436--
TRYPTOPHANTryptophanME6430266305C00806--
[13C]-ISOLEUCINEIsoleucineME6428106306---
QUINATEQuinic acidME6429976508C00296--
4-PYRIDOXATE4-Pyridoxic acidME6428476723C00847--
GUANOSINEGuanosineME6429236802C00387--
GUANOSINE 5' MONOPHOSPHATEGMPME6429246804C00144--
INOSINE 5'-DIPHOSPHATEIDPME6429396831C00104--
2',4'-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME6428186990C03663--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6428307124C06325--
N-METHYLANILINEN-MethylanilineME6429727515C02299--
DIETHANOLAMINEDiethanolamineME6428948113C06772--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6428768343C03690--
BENZOINBenzoinME6428738400C01408--
INOSINE 5'-MONOPHOSPHATEIMPME6429408582C00130--
SHIKIMATEShikimic acidME6430098742C00493--
PREGNENOLONEPregnenoloneME6429908955C01953--
N-METHYLTYRAMINEN-MethyltyramineME6429739727C02442--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6428359903C03990--
METHYLGUANIDINEMethylguanidineME64295410111C02294--
GLYCOCHOLATEGlycocholic acidME64292110140C01921--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME64288710434C01066--
SUBERIC ACIDSuberic acidME64301810457C08278--
INDOLE-3-ETHANOLTryptophanolME64293610685C00955--
5-VALEROLACTONE5-ValerolactoneME64285510953C02240--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64282711266C05984--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64282811914C01983--
2'-DEOXYADENOSINE 5'-MONOPHOSPHATEdAMPME64282212599C00360--
HOMOSERINEHomoserineME64293012647C00263--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME64296913017C11519--
2'-DEOXYCYTIDINEDeoxycytidineME64282313711C00881--
DEOXYURIDINEDeoxyuridineME64289213712C00526--
2'-DEOXYADENOSINEDeoxyadenosineME64282113730C00559--
CYTIDINE 5'-DIPHOSPHOCHOLINECDP-cholineME64289013804C00307--
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATEdCMPME64282413945C00239--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME64297114180C00455--
ALPHA-TOCOPHEROLalpha-TocopherolME64286814985C02477--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME64285225945C02804--
1-METHYLADENOSINE1-MethyladenosineME64281627476C02494--
STEARAMIDEStearamideME64301631292C13846--
URSODIOLUrsodeoxycholic acidME64303431401C07880--
GLUTAMIC ACIDGlutamic acidME64291433032C00302--
S-ADENOSYL METHIONINES-AdenosylmethionineME64300434755C00019--
N-ACETYL-D-GALACTOSAMINEN-Acetyl-D-galactosamineME64296235717C01132--
SALSOLINOLSalsolinolME64300654456C09642--
CAPECITABINECapecitabineME64288060953C12650--
ADENOSINEAdenosineME64285960961C00212--
XANTHOSINEXanthosineME64303864959C01762--
5-METHYLCYTOSINE5-MethylcytosineME64285365040C02376--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64296465065C01042--
3'-CMP3'-CMPME64283666535C05822--
METHYLXANTHINEMethylxanthineME64295668374C16353--
ESTRADIOL 17 ALPHAEstradiol-17alphaME64290468570C02537--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME64281969371C03056--
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDEN1-Methyl-2-pyridone-5-carboxamideME64295969698C05842--
PTERINPterinME64299473000C00715--
GLUCOSAMINATEGlucosaminic acidME64291173563C03752--
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME64281274300C02774--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64296674839C03519--
N-ACETYL-L-LEUCINEN-AcetylleucineME64296575619C02710--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME64285178168C03088--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME64281479034C08317--
BOC-ASN-ME64287882035C01410--
SPHINGANINESphinganineME64301291486C00836--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME64296092180C04083--
PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME64298392258C04148--
DIHYDROTHYMINEDihydrothymineME64289793556C00906--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64281394141C05284--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME64300897536C02886--
DIHYDROFOLATEDihydrofolic acidME64289598792C00415--
N-ACETYLPUTRESCINEN-AcetylputrescineME642967122356C02714--
OCTANOYLCARNITINECAR 8:0ME642975123701C02838--
DIMETHYLARGININEDimethylarginineME642898123831C03626--
GLUTATHIONE REDUCEDGlutathioneME642917124886C00051--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME642856133246C00268--
PHOSPHOCHOLINECholine phosphateME642986135437C00588--
PROLINEProlineME642991145742C16435--
SACCHAROPINESaccharopineME643003160556C00449--
OROTIDINE 5'-MONOPHOSPHATEOrotidylic acidME642978160617C01103--
KYNURENINEKynurenineME642942161166C01718--
5-Aminoimidazole ribotideAIRME642848161500C03373--
3-(CYSTEIN-S-YL)ACETAMINOPHEN3-(Cystein-S-yl)acetaminophenME642833171264---
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME642910172313C00354--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME642877186004C01159--
PROPIONYLCARNITINECAR 3:0ME642993188824C03017--
ERYTHRITOLErythritolME642903222285C00503--
DEOXYCHOLATEDeoxycholic acidME642891222528C04483--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME643005439155C00021--
RIBOSE 5-PHOSPHATERibose 5-phosphateME643002439167C00117--
5'-DEOXYADENOSINE5'-DeoxyadenosineME642850439182C05198--
GLYCERIC ACIDGlyceric acidME642918439194C00258--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME642912439217C00352--
2'-DEOXYGUANOSINE 5'-DIPHOSPHATEdGDPME642826439220C00361--
RAFFINOSERaffinoseME642998439242C00492--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME642825439268C00586--
N-ACETYL-BETA-D-GLUCOSAMINYLAMINEN-Acetyl-beta-glucosaminylamineME642961439454C01239--
STACHYOSEStachyoseME643015439531C01613--
3-DEHYDROSHIKIMATE3-DehydroshikimateME642837439774C02637--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME642963439917C03137--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME642958440120C03793--
LEUCENOLMimosineME642944440473C04771--
7-AMINOCEPHALOSPORANIC ACID7-Aminocephalosporanic acidME642857441328C07756--
HOMOSTACHYDRINE(S)-HomostachydrineME642931441447C08283--
LENTICINLenticinME642943442106C09213--
3'-DEPHOSPHO COA3'-Dephospho-CoAME642838444485C00882--
RETINOATERetinoic acidME642999444795C00777--
DETHIOBIOTINDethiobiotinME642893445027C01909--
RETINOLRetinolME643000445354C00473--
FERULATEtrans-Ferulic acidME642906445858C01494--
PALMITOYLGLYCEROPHOSPHOCHOLINELPC 16:0ME642979460602C04102--
MYRISTOYLGLYCEROPHOSPHOCHOLINELPC 14:0ME642957460604C04230--
RIBOFLAVINRiboflavinME643001493570C00255--
4-COUMARATEcis-p-Coumaric acidME642843637542C00811--
PIPERINEPiperineME642989638024C03882--
FLAVIN ADENINE DINUCLEOTIDEFADME642907643975C00016--
DIPALMITOYLGLYCEROLDG 16:0_16:0ME642900644078C00165--
GLYCEROPHOSPHOCHOLINEsn-Glycero-3-phosphocholineME642919657272C00670--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6429471549100C00666--
UROCANATEUrocanic acidME6430331549103C00785--
4-NITROCATECHOL4-NitrocatecholME6428453505109C02235--
SPHINGOSINESphingosineME6430135280335C00319--
BILIVERDINBiliverdinME6428755280353C00500--
SQUALENESqualeneME6430145280370C00751--
MENAQUINONEMenaquinoneME6429515280374C00828--
OLEOYLGLYCEROPHOSPHOCHOLINELPC 18:1ME6429765280634C03916--
LINOLEOYLGLYCEROPHOSPHOCHOLINELPC 18:2ME6429465280646C04100--
METHYL JASMONATEMethyl jasmonateME6429535281929C11512--
LUMICHROMELumichromeME6429485326566C01727--
STEAROYL SPHINGOMYELINSM 18:1;O2/18:0ME6430176453725C00550--
FORMYL-L-METHIONINEN-FormylmethionineME6429096995182C03145--
PHENYLHYDRAZINEPhenylhydrazineME64298514325810C02304--
VITAMIN B12Vitamin B12ME64303616212801C05776--
ARACHIDONOYLGLYCEROPHOSPHOCHOLINELPC 20:4ME64287024779476C05208--
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME64282053477807C15519--
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINELPE 22:6ME64290153480465C04230--
HEPTADECANOYLGLYCEROPHOSPHOCHOLINELPC 17:0ME64292553480465C04230--
ASCORBATEVitamin CME64287154670067C00072--


Analysis: LC/Electro-spray /QTOF negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-HYDROXYGLUTARATE2-Hydroxyglutaric acidME64305243C02630--
3-METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME64306647C03465--
3-METHYL-2-OXOBUTANOIC ACIDKetoisovaleric acidME64306549C00141--
2-OXOBUTANOATE3-Methyl pyruvic acidME64305458C00109--
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME64307470C00233--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64305772C00230--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME64306489C02794--
3-HYDROXYBENZYL ALCOHOL3-Hydroxybenzyl alcoholME643063102C03351--
4-HYDROXYPHENYLACETATE4-Hydroxyphenyl acetateME643073127C00642--
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME643079137C00430--
ADENINEAdenineME643087190C00147--
PROSTAGLANDIN E1PGE1ME643183214C04741--
BENZOATEBenzoic acidME643099243C00180--
CITRATECitric acidME643107311C00158--
ACETYLENEDICARBOXYLATEAcetylenedicarboxylateME643085371C03248--
CAPRYLIC ACIDCaprylic acidME643101379C06423--
HIPPURATEHippuric acidME643142464C01586--
5-OXO-PROLINEPyroglutamic acidME643082499C01879--
(S)-DIHYDROOROTATE4,5-Dihydroorotic acidME643040648C00337--
5,6-DIHYDROURACILDihydrouracilME643078649C00429--
HYPOXANTHINEHypoxanthineME643143790C00262--
INDOLE-3-ACETIC ACIDIndoleacetic acidME643145802C00954--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME643055873C01198--
MELATONINMelatoninME643155896C01598--
OXALOSUCCINATEOxalosuccinic acidME643174972C05379--
4-AMINOBENZOATEp-Aminobenzoic acidME643070978C00568--
PALMITIC ACIDPalmitic acidME643175985C00249--
PANTOTHENIC ACIDPantothenic acidME643178988C00864--
PHENYLPYRUVATEPhenylpyruvic acidME643180997C00166--
PHENYLACETATEPhenyl acetateME643179999C07086--
PHTHALATEPhthalic acidME6431811017C01606--
PYRIDOXALPyridoxalME6431861050C00250--
PYRUVATEPyruvic acidME6431871060C00022--
PYRIDINE-2,3-DICARBOXYLATEQuinolinic acidME6431851066C03722--
TAURINETaurineME6431981123C00245--
URATEUric acidME6432061175C00366--
XANTHINEXanthineME6432101188C00385--
13(S)-HPODE13S-HpODEME6430451426C04717--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6430621662C03761--
3-METHYLADENINE3-MethyladenineME6430671673C00913--
5-HYDROXYINDOLE-3-ACETIC ACID5-Hydroxyindoleacetic acidME6430801826C05635--
AZELAIC ACIDAzelaic acidME6430962266C08261--
DECANOATECapric acidME6431132969C01571--
LAURIC ACIDLauric acidME6431503893C02679--
CORTICOSTERONECorticosteroneME6431095753C02140--
ESTRADIOL-17BETAbeta-EstradiolME6431265757C00951--
THYROXINEThyroxineME6432045819C01829--
ALDOSTERONEAldosteroneME6430885839C01780--
NADPNADP+ME6431655886C00006--
SERINESerineME6431925951C00716--
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME6431155952C14554--
ASPARTATEAspartic acidME6430955960C16433--
GLUTAMINEGlutamineME6431345961C00303--
CHOLESTEROLCholesterolME6431055997C00187--
TESTOSTERONETestosteroneME6432016013C00535--
INOSINEInosineME6431466021C00294--
URIDINEUridineME6432076029C00299--
N-METHYLTRYPTAMINEN-MethyltryptamineME6431696088C06213--
METHIONINEMethionineME6431566137C01733--
[C13] PHENYLALANINEPhenylalanineME6430426140C02057--
ORNITHINEOrnithineME6431736262C00515--
TRYPTOPHANTryptophanME6432056305C00078--
ISOLEUCINE/LEUCINELeucine/IsoleucineME6431486306C00407--
ARGININEArginineME6430946322C02385--
QUINATEQuinic acidME6431886508C00296--
TAUROCHOLATETaurocholic acidME6432006675C05122--
4-PYRIDOXATE4-Pyridoxic acidME6430766723C00847--
INOSINE 5'-DIPHOSPHATEIDPME6431476831C00104--
1-HYDROXY-2-NAPHTHOATE1-Hydroxy-2-naphthoateME6430486844C03203--
GLYOXALGlyoxalME6431387860C14448--
NONANOATEPelargonic acidME6431718158C01601--
BEHENIC ACIDBehenic acidME6430988215C08281--
HEXANOATECaproic acidME6431418892C01585--
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME6430569378C03672--
CITRULLINECitrullineME6431089750C00327--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6430619903C03990--
CHENODEOXYCHOLATEChenodeoxycholic acidME64310310133C02528--
GLYCOCHOLATEGlycocholic acidME64313610140C01921--
HEXADECANEDIOATEHexadecanedioic acidME64314010459C19615--
ARACHIDIC ACIDArachidic acidME64309210467C06425--
4-ANDROSTEN-3BETA,17BETA-DIOL DISULFATE4-Androsten-3beta,17beta-diol disulfateME64307110634C04295--
17BETA-HYDROXYANDROSTAN-3-ONE5alpha-DihydrotesosteroneME64304710635C03917--
MYRISTIC ACIDMyristic acidME64315811005C06424--
LIGNOCERIC ACIDLignoceric acidME64315111197C08320--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64305111266C05984--
DEHYDROISOANDROSTERONE 3-SULFATEDehydroepiandrosterone sulfateME64311412594C04555--
DODECANEDIOATEDodecanedioic acidME64312312736C02678--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME64316614349C03710--
ALPHA-TOCOPHEROLalpha-TocopherolME64308914985C02477--
CYCLOHEPTANECARBOXYLIC ACIDCycloheptanecarboxylic acidME64311015091C12104--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME64306918189C02946--
URSODIOLUrsodeoxycholic acidME64320931401C07880--
GLUTAMIC ACIDGlutamic acidME64313333032C00302--
N-ACETYL-D-GALACTOSAMINEN-Acetyl-D-galactosamineME64316135717C01132--
4-VINYLPHENOL SULFATE4-HydroxystyreneME64307762453C05627--
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME64316064969C01152--
2'-DEOXYURIDINE 5'-MONOPHOSPHATEdUMPME64305065063C00365--
XANTHOSINE 5'-MONOPHOSPHATEXMPME64321173323C00655--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64316374839C03519--
DIMETHYLURATE1,7-Dimethyluric acidME64311991611C16356--
INDICANIndicanME64314492769C08481--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64304494141C05284--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME64315794214C03619--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME64319397536C02886--
DIETHYL 2-METHYL-3-OXOSUCCINATE4-Heptenal diethyl acetalME64311697750C04067--
FORMYLANTHRANILATEFormylanthranilic acidME643127101399C05653--
PREGN STEROID MONOSULFATEPregnenolone sulfateME643182105074C18044--
(S)-LACTATELactic acidME643041107689C00186--
B-ALANYL-N(PAI)-METHYL-L-HISTIDINEAnserineME643097112072C01262--
ANDROSTERONE GLUCURONIDEAndrosterone 3-glucuronideME643091114833C11135--
CINNAVALININATECinnavalininateME643106114918C05640--
DOPAMINE 3-O-SULFATEDopamine 3-O-sulfateME643124122136C13690--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME643168123953C13051--
THREONATEThreonic acidME643203151152C01620--
2-CARBOXY-2,3-DIHYDRO-5,6-DIHYDROXYINDOLELeucodopachromeME643049161255C05604--
GULONO-1,4-LACTONED-GulonolactoneME643139165105C05410--
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME643191193653C03727--
CHOLATECholic acidME643104221493C00695--
MALATEMalic acidME643154222656C00711--
TAUROCHENODEOXYCHOLATETaurochenodeoxycholic acidME643199387316C05465--
GLYCERIC ACIDGlyceric acidME643135439194C00258--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME643164439197C00270--
CARNOSINECarnosineME643102439224C00386--
PANTOATE(R)-Pantoic acidME643177439251C00522--
CYSTATHIONINECystathionineME643112439258C00542--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME643081439280C00643--
CYS-GLYCys-GlyME643111439498C01419--
STACHYOSEStachyoseME643195439531C01613--
GLUCURONOLACTONEGlucuronolactoneME643132439782C02670--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME643162439917C03137--
LACTOYLGLUTATHIONES-LactoylglutathioneME643149440018C03451--
3ALPHA,7ALPHA-DIHYDROXY-5BETA-CHOLESTANATE3alpha,7alpha-Dihydroxy-5beta-cholestanoic acidME643060440384C04554--
3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLESTANOA...Coprocholic acidME643059440460C04722--
4-OXOGLUTARAMATE4-Oxoglutaramic acidME643075440726C05572--
4-(2-AMINO-3-HYDROXYPHENYL)-2,4-DIOXOBUTANOATE4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acidME643068440741C05645--
ACONITATEtrans-Aconitic acidME643086444212C00417--
TARTARIC ACIDTartaric acidME643197444305C01534--
ARACHIDONATEArachidonic acidME643093444899C00219--
FUMARIC ACIDFumaric acidME643129444972C00122--
DOCOSAHEXAENOIC ACIDDocosahexaenoic acidME643121445580C06429--
PALMITOLEIC ACIDPalmitoleic acidME643176445638C08362--
OLEATEOleic acidME643172445639C00712--
GERANYL PYROPHOSPHATEGeranyl diphosphateME643131447277C00353--
RIBOFLAVINRiboflavinME643189493570C00255--
UROCORTISONEUrocortisoneME643208618110C05470--
4-HYDROXY-3-METHOXYMANDELIC ACID-ME643072736172C05584--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6431531549100C00666--
THIAMINE MONOPHOSPHATEThiamine monophosphateME6432023382778C01081--
BILIVERDINBiliverdinME6431005280353C00500--
LINOLEATELinoleic acidME6431525280450C01595--
15(S)-HETE15S-HETEME6430465280724C04742--
PROSTAGLANDIN G2PGG2ME6431845280883C05956--
GAMMA-LINOLENIC ACIDgamma-Linolenic acidME6431305280933C06426--
ERUCIC ACIDcis-Erucic acidME6431255281116C08316--
MYRISTOLEIC ACIDMyristoleic acidME6431595281119C08322--
NERVONIC ACIDNervonic acidME6431675281120C08323--
ANANDAMIDEArachidonoyl-EAME6430905281969C11695--
STEARIDONATEStearidonic acidME6431965282837C16300--
SPHINGOSINE 1-PHOSPHATESphingosine 1-phosphateME6431945283560C06124--
DOCOSADIENOATEDocosadienoic acidME6431205312554C16533--
9(10)-EPOME9(10)-EpOMEME6430845316080C14825--
DOCOSAPENTAENOATEDocosapentaenoic acidME6431225497182C16513--
DIHOMO-LINOLEATE11Z,14Z-Eicosadienoic acidME6431176439848C16525--
DIHOMO-LINOLENATE-ME6431186439848C03242--
FORMYL-L-METHIONINEN-FormylmethionineME6431286995182C03145--
S-(FORMYLMETHYL)GLUTATHIONES-(Formylmethyl)glutathioneME64319011954074C14871--
GLYCODEOXYCHOLATE / GLYCOCHENODEOXYCHOLATEGlycodeoxycholic acidME64313722833539C05464--
3ALPHA,7ALPHA,12ALPHA,26-TETRAHYDROXY-5BETA-CHOLES...27-Deoxy-5beta-cyprinolME64305824771793C05446--
2-OXO-3-HYDROXY-4-PHOSPHOBUTANOATE2-Oxo-3-hydroxy-4-phosphobutanoic acidME64305325245610C06054--
11BETA,21-DIHYDROXY-5BETA-PREGNANE-3,20-DIONE11beta,21-Dihydroxy-5beta-pregnane-3,20-dioneME64304344263339C05475--
7-ALPHA-HYDROXY-3-OXO-4-CHOLESTENOATE7alpha-Hydroxy-3-oxo-4-cholestenoic acidME64308353481411C17337--
NONADECENOATENonadecenoic acidME643170-C00174--


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