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Analysis: LC/MS positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ADENOSINE 5`-TRIPHOSPHATEATPME6442905957C00002--
NICOTINAMIDE ADENINE DINUCLEOTIDENADME64452710897651C00003--
ADENOSINE DIPHOSPHATEADPME6442926022C00008--
URIDINE 5'-DIPHOSPHATEUDPME6446446031C00015--
FLAVIN ADENINE DINUCLEOTIDEFADME644407643975C00016--
PYRIDOXAL 5`-PHOSPHATEPyridoxal 5'-phosphateME6445871051C00018--
S-ADENOSYL METHIONINES-AdenosylmethionineME64460234755C00019--
ADENOSINE 5'-MONOPHOSPHATEAMPME6442916083C00020--
S-ADENOSYL-L-HOMOCYSTEINES-AdenosylhomocysteineME644603439155C00021--
[13C]-GLUTAMATEGlutamic acidME644183-C00025--
ALPHA-KETO-GLUTARATE2-Oxoglutaric acidME64430051C00026--
GUANOSINE 5'-DIPHOSPHATEGDPME6444408977C00035--
GLYCINEGlycineME644432750C00037--
SUCCINATESuccinic acidME6446211110C00042--
URIDINE 5`-DIPHOSPHO-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME644643445675C00043--
[13C]-LYSINELysineME6441875962C00047--
[13C]-ASPARTIC ACIDAspartic acidME6441825960C00049--
GLUTATHIONE REDUCEDGlutathioneME644427124886C00051--
CYTIDINE 5`-MONOPHOSPHATECMPME6443606131C00055--
[13C]-ARGININEArginineME6441816322C00062--
THIAMINE PYROPHOSPHATEThiamine diphosphateME6446251132C00068--
ASCORBATEVitamin CME64431254670067C00072--
[13C]-PHENYLALANINEPhenylalanineME6441886140C00079--
[13C]-TYROSINETyrosineME6441916057C00082--
UREAUreaME6446411176C00086--
GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME6444215958C00092--
INOSINE 5'-DIPHOSPHATEIDPME6444636831C00104--
URIDINE-5-MONOPHOSPHATEUMPME6446466030C00105--
ANTHRANILATE2-Aminobenzoic acidME644309227C00108--
CYTIDINE 5`-DIPHOSPHATECDPME6443596132C00112--
GLYCEROLGlycerolME644430753C00116--
RIBOSE 5-PHOSPHATERibose 5-phosphateME644598439167C00117--
BIOTINBiotinME644319171548C00120--
GLUTATHIONE OXIDIZEDGlutathioneME644426975C00127--
INOSINE 5'-MONOPHOSPHATEIMPME6444648582C00130--
PUTRESCINEPutrescineME6445841045C00134--
[13C]-HISTIDINEHistidineME6441846274C00135--
GUANOSINE 5' MONOPHOSPHATEGMPME6444396804C00144--
ADENINEAdenineME644286190C00147--
[13C]-PROLINEProlineME644189145742C00148--
NICOTINAMIDENiacinamideME644526936C00153--
CITRATECitric acidME644341311C00158--
GLYCOLATEGlycolic acidME644434757C00160--
ACETOACETATEAcetoacetic acidME64428496C00164--
DIPALMITOYLGLYCEROLDG 16:0_16:0ME644390644078C00165--
5`-METHYLTHIOADENOSINE5'-MethylthioadenosineME644266439176C00170--
THYMINEThymineME6446301135C00178--
AGMATINEAgmatineME644295199C00179--
[13C]-VALINEValineME6441926287C00183--
[13C]-THREONINEThreonineME6441906288C00188--
ETHANOLAMINEEthanolamineME644402700C00189--
D-GLUCONO-1,5-LACTONEGluconolactoneME6443717027C00198--
URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINEUridine 5'-Diphospho-N-acetylgalactosamineME6446451167C00203--
2`-DEOXYADENOSINE 5`-DIPHOSPHATEdADPME644206188966C00206--
MALTOSEMaltoseME644482439186C00208--
ADENOSINEAdenosineME64428760961C00212--
THYMIDINEThymidineME6446285789C00214--
3,4-DIHYDROXYBENZOATEProtocatechuic acidME64423372C00230--
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATEdCMPME64421613945C00239--
GUANINEGuanineME644436764C00242--
TAURINETaurineME6446221123C00245--
ALPHA-LIPOAMIDELipoamideME644301863C00248--
PYRIDOXALPyridoxalME6445861050C00250--
RIBOFLAVINRiboflavinME644596493570C00255--
GLYCERIC ACIDGlyceric acidME644429439194C00258--
HOMOSERINEHomoserineME64445112647C00263--
6,7-DIHYDROBIOPTERIN4a-Carbinolamine tetrahydrobiopterinME644280133246C00268--
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME644517439197C00270--
MANNOSE-6-PHOSPHATEMannose 6-phosphateME644483439198C00275--
DGTPdGTPME64437265103C00286--
ANILINEAnilineME6443086115C00292--
INOSINEInosineME6444626021C00294--
OROTATEOrotic acidME644546967C00295--
QUINATEQuinic acidME6445906508C00296--
URIDINEUridineME6446426029C00299--
CREATINECreatineME644348586C00300--
ADP-RIBOSEADP-riboseME644294192C00301--
GLUTAMIC ACIDGlutamic acidME64442233032C00302--
GLUTAMINEGlutamineME6444235961C00303--
CYTIDINE 5'-DIPHOSPHOCHOLINECDP-cholineME64436113804C00307--
ISOCITRIC ACIDIsocitric acidME6444651198C00311--
PYRIDOXINEPyridoxineME6445891054C00314--
SPERMIDINESpermidineME6446111102C00315--
SPHINGOSINESphingosineME6446145280335C00319--
CITRULLINECitrullineME6443429750C00327--
2`-DEOXYGUANOSINEDeoxyguanosineME644208187790C00330--
INDOLEPYRUVATEIndolepyruvateME644460803C00331--
AMINOBUTANOIC ACIDAminobutyric acidME644303119C00334--
DIHYDROOROTATE4,5-Dihydroorotic acidME644380648C00337--
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME64428291493C00345--
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME644419439217C00352--
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME644410172313C00354--
3,4-DIHYDROXY-L-PHENYLALANINEDOPAME6442346047C00355--
2'-DEOXYADENOSINE 5'-MONOPHOSPHATEdAMPME64421412599C00360--
2'-DEOXYGUANOSINE 5'-DIPHOSPHATEdGDPME644218439220C00361--
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEdGMPME64420965059C00362--
URATEUric acidME6446401175C00366--
RETINALRetinalME644593638015C00376--
CYTOSINECytosineME644362597C00380--
XANTHINEXanthineME6446531188C00385--
CARNOSINECarnosineME644335439224C00386--
GUANOSINEGuanosineME6444376802C00387--
HISTAMINEHistamineME644445774C00388--
GDP-GLUCOSEGDP-glucoseME644416644106C00394--
TRYPTAMINETryptamineME6446361150C00398--
PIPECOLIC ACIDPipecolic acidME644570849C00408--
PROGESTERONEProgesteroneME6445765994C00410--
DIHYDROFOLATEDihydrofolic acidME64437998792C00415--
DEHYDROASCORBATEL-Dehydroascorbic acidME644364210328C00425--
5-AMINOPENTANOATE5-Aminopentanoic acidME644270138C00431--
ALPHA-D-GALACTOSE 1-PHOSPHATEGalactose 1-phosphateME644299123912C00446--
SACCHAROPINESaccharopineME644601160556C00449--
NICOTINAMIDE MONONUCLEOTIDENicotinamide ribotideME64452914180C00455--
PURINEPurineME6445831044C00465--
ACETOINAcetoinME644285179C00466--
ESTRONEEstroneME6444015870C00468--
P-BENZOQUINONEQuinoneME6445564650C00472--
RETINOLRetinolME644595445354C00473--
CYTIDINECytidineME6443576175C00475--
GLUTARATEGlutaric acidME644424743C00489--
ITACONATEItaconic acidME644468811C00490--
RAFFINOSERaffinoseME644592439242C00492--
SHIKIMATEShikimic acidME6446098742C00493--
ADPGLUCOSEADP-glucoseME64429316500C00498--
ALLANTOATEAllantoic acidME644297203C00499--
BILIVERDINBiliverdinME6443175280353C00500--
ERYTHRITOLErythritolME644398222285C00503--
FOLIC ACIDFolic acidME6444086037C00504--
HYPOTAURINEHypotaurineME644455107812C00519--
ANDROSTERONEAndrosteroneME6443075879C00523--
DEOXYURIDINEDeoxyuridineME64436913712C00526--
HYDROQUINONEHydroquinoneME644453785C00530--
PYRIDOXAMINEPyridoxamineME6445881052C00534--
TESTOSTERONETestosteroneME6446236013C00535--
HOMOGENTISATEHomogentisic acidME644450780C00544--
STEAROYL SPHINGOMYELINSM 18:1;O2/18:0ME6446186453725C00550--
2'-DEOXYADENOSINEDeoxyadenosineME64421313730C00559--
TRIMETHYLAMINETrimethylamineME6446351146C00565--
4-AMINOBENZOATEp-Aminobenzoic acidME644255978C00568--
CYCLOHEXYLAMINECyclohexylamineME6443527965C00571--
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE3',5' cyclic AMPME6442896076C00575--
2-DEOXY-D-GLUCOSE2-Deoxy-glucoseME644217439268C00586--
PHOSPHOCHOLINECholine phosphateME644567135437C00588--
3-PHOSPHOGLYCERIC ACID3-Phosphoglyceric acidME644252724C00597--
3-HYDROXYANTHRANILATE3-Hydroxyanthranilic acidME64424786C00632--
INDOLE-3-ACETALDEHYDEIndoleacetaldehydeME644456800C00637--
XANTHOSINE 5'-MONOPHOSPHATEXMPME64465573323C00655--
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME6444781549100C00666--
GLYCEROPHOSPHOCHOLINEsn-Glycero-3-phosphocholineME644431657272C00670--
2`-DEOXYCYTIDINE 5`-DIPHOSPHATEdCDPME644207150855C00705--
PTERINPterinME64458273000C00715--
BETAINEBetaineME644316247C00719--
CORTISOLCortisolME6443445754C00735--
CYSTEINECysteineME644355594C00736--
HEXOSEHexoseME644443206C00738--
SPERMINESpermineME6446121103C00750--
SQUALENESqualeneME6446155280370C00751--
CORTISONECortisoneME644346222786C00762--
HISTIDINEHistidineME6444466274C00768--
RETINOATERetinoic acidME644594444795C00777--
SEROTONINSerotoninME6446075202C00780--
UROCANATEUrocanic acidME6446471549103C00785--
EPINEPHRINEEpinephrineME6443975816C00788--
CREATININE FROM COMPLEXCreatinineME644349588C00791--
HEXITOLSorbitolME644442453C00794--
TRYPTOPHANTryptophanME6446376305C00806--
4-COUMARATEcis-p-Coumaric acidME644257637542C00811--
CITRAMALATECitramalic acidME6443401081C00815--
GLUCARIC/GULARIC/SACCHARIC ACIDGlucaric acidME644417607C00818--
MENAQUINONEMenaquinoneME6444845280374C00828--
OXOMALONATEMesoxalic acidME64454910132C00830--
SPHINGANINESphinganineME64461391486C00836--
THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSEdTDP-glucoseME644629443210C00842--
4-PYRIDOXATE4-Pyridoxic acidME6442646723C00847--
HISTIDINOLL-HistidinolME644447165271C00860--
PANTOTHENIC ACIDPantothenic acidME644554988C00864--
2'-DEOXYCYTIDINEDeoxycytidineME64421513711C00881--
3'-DEPHOSPHO COA3'-Dephospho-CoAME644245444485C00882--
DIHYDROTHYMINEDihydrothymineME64438193556C00906--
GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATE3',5' cyclic GMPME64443824316C00942--
INDOLE-3-ACETIC ACIDIndoleacetic acidME644458802C00954--
INDOLE-3-ETHANOLTryptophanolME64445910685C00955--
TRYPTOPHANAMIDETryptophanamideME644638439356C00977--
TRIGONELLINETrigonellineME6446345570C01004--
O-PHOSPHO-DL-SERINEDL-O-PhosphoserineME644542106C01005--
PANTOLACTONEPantolactoneME644553439368C01012--
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME644273439280C01017--
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME644258500C01035--
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME64451365065C01042--
3,5-DIIODO-L-TYROSINE3,5-Diiodo-L-tyrosineME6442386181C01060--
CYCLOHEXANE-1,3-DIONECyclohexane-1,3-dioneME64435110434C01066--
OROTIDINE 5'-MONOPHOSPHATEOrotidylic acidME644547160617C01103--
O-SUCCINYL-L-HOMOSERINEo-SuccinylhomoserineME644548439406C01118--
N-ACETYL-D-GALACTOSAMINEN-Acetyl-D-galactosamineME64450735717C01132--
BISPHOSPHOGLYCERATE2,3-Diphosphoglyceric acidME644321186004C01159--
3,4-DIHYDROXYPHENYLACETATE3,4-Dihydroxybenzeneacetic acidME644236547C01161--
CHOLESTA-5,7-DIEN-3BETA-OL7-DehydrocholesterolME644337439423C01164--
17ALPHA-HYDROXYPROGESTERONE17alpha-HydroxyprogesteroneME6441986238C01176--
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME644229979C01179--
RIBULOSE 1,5-BISPHOSPHATERibulose 1,5-bisphosphateME644599123658C01182--
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME644228873C01198--
5-HYDROXYLYSINE5-HydroxylysineME6442743032849C01211--
N-ACETYL-BETA-D-GLUCOSAMINYLAMINEN-Acetyl-beta-glucosaminylamineME644506439454C01239--
PRENOL3-Methyl-2-buten-1-olME64457511173C01390--
ALANINEAlanineME6442965950C01401--
BENZOINBenzoinME6443148400C01408--
BOC-ASN-ME64432482035C01410--
CYSTINECystineME644356595C01420--
FERULATEtrans-Ferulic acidME644406445858C01494--
TYROSINETyrosineME6446396057C01536--
ALLANTOINAllantoinME644298204C01551--
HIPPURATEHippuric acidME644444464C01586--
ORNITHINEOrnithineME6445456262C01602--
PHTHALATEPhthalic acidME6445691017C01606--
STACHYOSEStachyoseME644616439531C01613--
CADAVERINECadaverineME644332273C01672--
KYNURENIC ACIDKynurenic acidME6444693845C01717--
KYNURENINEKynurenineME644470161166C01718--
LUMICHROMELumichromeME6444805326566C01727--
METHIONINEMethionineME6444856137C01733--
XANTHOSINEXanthosineME64465464959C01762--
GAMMA-BUTYROLACTONEgamma-ButyrolactoneME6444117302C01770--
DEOXYRIBOSEDeoxyriboseME6443689828112C01801--
HOMOCYSTINEHomocystineME64444910010C01817--
THYROXINEThyroxineME6446315819C01829--
ROSMARINIC ACIDRosmarinic acidME6446005281792C01850--
5-OXO-PROLINEPyroglutamic acidME644278499C01879--
PENTITOLArabitolME644560827C01904--
DETHIOBIOTINDethiobiotinME644370445027C01909--
GLYCOCHOLATEGlycocholic acidME64443310140C01921--
PREGNENOLONEPregnenoloneME6445748955C01953--
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME64422111914C01983--
2-AMINOPHENOL2-AminophenolME6442125801C01987--
CORTICOSTERONECorticosteroneME6443435753C02140--
METHYLMALONATEMethylmalonic acidME644494487C02170--
2-METHYLMALEATECitraconic acidME644225643798C02226--
5-VALEROLACTONE5-ValerolactoneME64427910953C02240--
METHYLGUANIDINEMethylguanidineME64449310111C02294--
N-METHYLANILINEN-MethylanilineME6445327515C02299--
PHENYLHYDRAZINEPhenylhydrazineME64456614325810C02304--
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE2',3' cyclic AMPME644288101812C02353--
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)2',3' cyclic CMPME64435868934C02354--
3-METHYL-2-OXINDOLE3-MethyloxindoleME644251150923C02366--
5-METHYLCYTOSINE5-MethylcytosineME64427765040C02376--
AMINOHEXANOIC ACIDAminocaproic acidME644304564C02378--
N-ETHYLMALEIMIDEN-EthylmaleimideME6445254362C02441--
N-METHYLTYRAMINEN-MethyltyramineME6445339727C02442--
3,3',5-TRIIODO-L-THYRONINELiothyronineME6442315920C02465--
XANTHURENIC ACIDXanthurenic acidME6446565699C02470--
ALPHA-TOCOPHEROLalpha-TocopherolME64430214985C02477--
1-METHYLADENOSINE1-MethyladenosineME64419927476C02494--
2-HYDROXYPYRIDINE2-HydroxypyridineME6442228871C02502--
ESTRADIOL 17 ALPHAEstradiol-17alphaME64439968570C02537--
N1-ACETYLSPERMINEN1-AcetylspermineME644502916C02567--
O-ACETYL-L-CARNITINECAR 2:0ME6445361C02571--
3-DEHYDROCARNITINE3-DehydrocarnitineME6442436991982C02636--
3-DEHYDROSHIKIMATE3-DehydroshikimateME644244439774C02637--
3-UREIDOPROPIONIC ACIDUreidopropionic acidME644253111C02642--
INDOLE-3-ACETAMIDE1H-Indole-3-acetamideME644457397C02693--
N-ACETYL-L-LEUCINEN-AcetylleucineME64451575619C02710--
N-ACETYL-DL-METHIONINEN-AcetylmethionineME644510448580C02712--
N-ACETYLPUTRESCINEN-AcetylputrescineME644518122356C02714--
PHENYLETHANOLAMINE2-HydroxyphenethylamineME6445651000C02735--
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME64419574300C02774--
3-HYDROXY-DL-KYNURENINEHydroxykynurenineME64424889C02794--
5-HYDROXYPENTANOIC ACID5-Hydroxyvaleric acidME64427625945C02804--
CORTISOL 21-ACETATECortisol 21-acetateME6443455744C02821--
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME64426196215C02835--
OCTANOYLCARNITINECAR 8:0ME644537123701C02838--
BUTYRYLCARNITINECAR 4:0ME644331213144C02862--
S-HEXYL-GLUTATHIONES-Hexyl-glutathioneME64460897536C02886--
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME64425418189C02946--
PROPIONYLCARNITINECAR 3:0ME644580188824C03017--
2,6-DIHYDROXYPYRIDINE2,6-DihydroxypyridineME64420569371C03056--
5-HYDROXYMETHYLURACIL5-HydroxymethyluracilME64427578168C03088--
DIMETHYLBENZIMIDAZOLEDimethylbenzimidazoleME644386675C03114--
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME644511439917C03137--
N-AMIDINO-L-ASPARTATEGuanidinosuccinic acidME644521439918C03139--
FORMYL-L-METHIONINEN-FormylmethionineME6444096995182C03145--
2,4-DIHYDROXYPTERIDINELumazineME64420310250C03212--
2-METHYLPROPANAL OXIME2-Methylpropanal oximeME6442269023C03219--
DECANOYLCARNITINECAR 10:0ME64436311953821C03299--
4-NITROPHENYL PHOSPHATE4-Nitrophenyl phosphateME644263378C03360--
5-Aminoimidazole ribotideAIRME644268161500C03373--
2,3-DIAMINOPROPIONIC ACID2,3-Diaminopropionic acidME64420297328C03401--
N-ACETYL-L-PHENYLALANINEN-AcetylphenylalanineME64451674839C03519--
THIOPURINE S-METHYLETHER6-MethylthiopurineME6446265778C03542--
(2-AMINOETHYL)PHOSPHONATECiliatineME644180339C03557--
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME64448894214C03619--
DIMETHYLARGININEDimethylarginineME644385123831C03626--
5ALPHA-PREGNANE-3,20-DIONE5alpha-Pregnane-3,20-dioneME64426792810C03681--
BIS(2-ETHYLHEXYL)PHTHALATEBis(2-ethylhexyl)phthalateME6443208343C03690--
N-BENZYLOXYCARBONYLGLYCINEN-BenzyloxycarbonylglycineME64452214349C03710--
TRANS-CYCLOHEXANE-1,2-DIOLtrans-Cyclohexane-1,2-diolME64463392886C03739--
GLUCOSAMINATEGlucosaminic acidME64441873563C03752--
DOPAMINEDopamineME644394681C03758--
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME6442461662C03761--
N,N,N-TRIMETHYLLYSINEN-6-TrimethyllysineME644500440120C03793--
PIPERINEPiperineME644571638024C03882--
OLEOYLGLYCEROPHOSPHOCHOLINELPC 18:1ME6445415280634C03916--
3ALPHA-HYDROXY-5BETA-CHOLANATELithocholic acidME6442409903C03990--
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME64450592180C04083--
LINOLEOYLGLYCEROPHOSPHOCHOLINELPC 18:2ME6444765280646C04100--
PALMITOYLGLYCEROPHOSPHOCHOLINELPC 16:0ME644552460602C04102--
GLUCOSAMINE 6-SULFATEGlucosamine 6-sulfateME64442072361C04132--
PHENYLACETYLGLUTAMINEalpha-N-PhenylacetylglutamineME64456492258C04148--
N,N-DIMETHYL-1,4-PHENYLENEDIAMINEN,N-Dimethyl-1,4-phenylenediamineME6445017472C04203--
OCTOPAMINEOctopamineME644538440266C04227--
DOCOSAHEXAENOYLGLYCEROPHOSPHOCHOLINELPE 22:6ME64439153480465C04230--
HEPTADECANOYLGLYCEROPHOSPHOCHOLINELPC 17:0ME64444153480465C04230--
MYRISTOYLGLYCEROPHOSPHOCHOLINELPC 14:0ME644499460604C04230--
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDENicotinamide purin-6-ol-dinucleotideME644528440334C04423--
DEOXYCHOLATEDeoxycholic acidME644366222528C04483--
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-D-RIBOFURANO...AICARME64426965110C04677--
LEUCENOLMimosineME644473440473C04771--
ESTRIOLEstriolME6444003269C05141--
5'-DEOXYADENOSINE5'-DeoxyadenosineME644272439182C05198--
ARACHIDONOYLGLYCEROPHOSPHOCHOLINELPC 20:4ME64431024779476C05208--
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE11beta-Hydroxyandrost-4-ene-3,17-dioneME64419694141C05284--
5BETA-DIHYDROTESTOSTERONE5beta-DihydrotestosteroneME64427115C05293--
HOMOCYSTEINEHomocysteineME644448778C05330--
PHENETHYLAMINEPhenylethylamineME6445621001C05332--
SELENOMETHIONINESelenomethionineME64460615103C05335--
VITAMIN D2Vitamin D2ME6446515280793C05441--
VITAMIN D3Vitamin D3ME64465210883523C05443--
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-...TetrahydrocortisolME6442395864C05472--
DEOXYCARNITINE3-DehydroxycarnitineME644365725C05543--
3,4-DIHYDROXYPHENYL GLYCOL3,4-DihydroxyphenylglycolME64423591528C05576--
4-HYDROXY-3-METHOXYMANDELICVanillylmandelic acidME644259736172C05584--
3-METHOXYTYRAMINE3-MethoxytyramineME6442501669C05587--
NORMETANEPHRINENormetanephrineME6445351237C05589--
4-HYDROXY-3-METHOXYPHENYLGLYCOLVanylglycolME64426010805C05594--
INDOXYLIndoxylME64446150591C05658--
PHOSPHONOACETATEPhosphonoacetateME644568546C05682--
VITAMIN B12Vitamin B12ME64465016212801C05776--
3'-CMP3'-CMPME64424266535C05822--
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDEN1-Methyl-2-pyridone-5-carboxamideME64450369698C05842--
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME64422011266C05984--
HYDROXYBENZALDEHYDEHydroxybenzaldehydeME6444546998C06202--
BIOPTERINBiopterinME644318445040C06313--
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME6442277124C06325--
2-HYDROXYQUINOLINE2-HydroxyquinolineME6442236038C06338--
QUINOLINEQuinolineME6445912165C06413--
4-QUINOLINECARBOXYLIC ACID4-Quinolinecarboxylic acidME64426510243C06414--
PSICOSEPsicoseME6445811101C06468--
BIURETBiuretME6443227913C06555--
4-METHYLCATECHOL4-MethylcatecholME6442629958C06730--
DIETHANOLAMINEDiethanolamineME6443768113C06772--
N-ACETYL-L-CYSTEINEN-AcetylcysteineME64451412035C06809--
PHENYLACETIC ACIDPhenylacetic acidME644563999C07086--
THEOPHYLLINETheophyllineME6446242153C07130--
PENICILLAMINEPenicillamineME6445584727C07418--
CAFFEINECaffeineME6443332519C07481--
7-AMINOCEPHALOSPORANIC ACID7-Aminocephalosporanic acidME644283441328C07756--
URSODIOLUrsodeoxycholic acidME64464831401C07880--
SUBERIC ACIDSuberic acidME64462010457C08278--
HOMOSTACHYDRINE(S)-HomostachydrineME644452441447C08283--
12-HYDROXY-DODECANOIC ACID12-Hydroxy lauric acidME64419779034C08317--
RIBOSE / XYLULOSE / ARABINOSE-ME644597441481C08353--
LENTICINLenticinME644472442106C09213--
SALSOLINOLSalsolinolME64460454456C09642--
METHYL JASMONATEMethyl jasmonateME6444905281929C11512--
N-CYCLOHEXYLFORMAMIDEN-CyclohexylformamideME64452413017C11519--
CYCLOHEX-1-ENECARBOXYLIC ACIDCyclohex-1-enecarboxylic acidME64435069470C12101--
CAPECITABINECapecitabineME64433460953C12650--
N-ALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME64452092907C12989--
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATENAADPME644531123953C13051--
STEARAMIDEStearamideME64461731292C13846--
THIOUREAThioureaME6446272723790C14415--
DEOXYCORTICOSTERONE ACETATEDeoxycorticosterone acetateME6443675952C14554--
1-NAPHTHYLAMINE1-NaphthylamineME6442008640C14790--
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE3beta-Hydroxy-5alpha-pregnan-20-oneME64424192787C15484--
25-HYDROXYCHOLESTEROL25-HydroxycholesterolME64421053477807C15519--
BENZYLAMINEBenzylamineME6443157504C15562--
NICOTINENicotineME644530942C16150--
METHYLXANTHINEMethylxanthineME64449568374C16353--
ISOLEUCINEIsoleucineME6444666306C16434--
PROLINEProlineME644578145742C16435--
VALINEValineME6446496287C16436--
ASPARAGINEAsparagineME6443136267C16438--
LEUCINELeucineME6444746106C16439--
LYSINELysineME6444815962C16440--
N-NITROSODIETHANOLAMINEN-NitrosodiethanolamineME64453414223C19278--
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINEPC 10:0/10:0ME64419316219892---
1,2-DIPALMITOYL-SN-GLYCEROLDG 16:0_16:0ME644194644078---
[13C]-ISOLEUCINEIsoleucineME6441856306---
[13C]-LEUCINELeucineME6441866106---
1-OLEOYL-RAC-GLYCEROLMG 18:1ME6442015319879---
2,5-DIMETHYLPYRAZINE2,5-DimethylpyrazineME64420431252---
2-AMINO-2-DEOXYHEXOPYRANOSE-ME644211739---
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID2-Hydroxy-4-(methylthio)butanoic acidME64421911427---
2-METHYLGLUTARIC ACID2-Methylglutaric acidME64422412046---
3,3'-DITHIODIVALINE3,3'-DithiodivalineME644232258527---
3,5-DIIODO-L-THYRONINE3,5-DiiodothyronineME644237123675---
3-(CYSTEIN-S-YL)ACETAMINOPHEN3-(Cystein-S-yl)acetaminophenME644230171264---
3-METHOXY-L-TYROSINE3-MethoxytyrosineME6442499307---
4-AMINOBENZOYLGLUTAMIC ACID4-Aminobenzoylglutamic acidME64425665138---
6-HYDROXYDOPAMINE6-HydroxydopamineME6442814624---
AMINOHYDROXYBENZOIC ACIDAminohydroxybenzoic acidME644305----
AMINOHYDROXYBUTANOIC ACID-ME644306----
ARG-VAL-TRPArg-Val-TrpME644311----
BOC-ALA-OH-ME64432385082---
BOC-ASP-OH-ME64432599718---
BOC-GLY-OH-ME64432678288---
BOC-HIS-OH-ME64432787308---
BOC-LYS-OH-ME6443287018769---
BOC-PRO-OH-ME64432985083---
BOC-SER-OH-ME64433098766---
C-GLYCOSYLTRYPTOPHANC-GlycosyltryptophanME644336----
CINNAMOYLGLYCINECinnamoylglycineME644338709625---
CIS-4-DECENOYL CARNITINECAR 10:1ME64433957357170---
COTININECotinineME644347408---
CYS-GLY, OXIDIZEDCYS-GLY, oxidizedME644353333293---
CYSTAMINECystamineME6443542915---
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)-ME644373----
DIACYLGLYCEROPHOSPHOGLYCEROL-ME644374----
DIACYL-PHOSPHATIDYLCHOLINE-ME644375----
DIETHYL AMINOMALONATEDiethyl aminomalonateME64437781272---
DIHEXOSE-ME644378----
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (???)-ME644382----
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (PROBABLY)-ME644383----
DIMETHYLGUANOSINEDimethylguanosineME64438792919---
DIMETHYL MALEATEDimethyl maleateME64438412215---
DIMETHYLXANTHINE-ME644388185974---
DIOLEOYLPHOSPHATIDYLCHOLINEPC 18:1/18:1ME6443896437081---
DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE-ME644392----
DOCOSAPENTAENOYLGLYCEROPHOSPHOCHOLINELPC 22:5ME644393----
EICOSATRIENOYLGLYCEROPHOSPHOCHOLINE-ME644395----
ENKEPHALINE, (D-ALA)2-LEU-ME644396----
ETHYL 3-INDOLE ACETATEEthyl 3-indoleacetateME644403----
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEEthyl 4-oxocyclohexanecarboxylateME644404317638---
ETHYLMALONIC ACIDEthylmalonic acidME64440511756---
GAMMA-GLUTAMYLISOLEUCINEgamma-GlutamylisoleucineME64441214253342---
GAMMA-GLUTAMYLMETHIONINEgamma-GlutamylmethionineME644413----
GAMMA-GLUTAMYLPHENYLALANINEgamma-GlutamylphenylalanineME644414111299---
GAMMA-GLUTAMYLTYROSINEgamma-GlutamyltyrosineME64441594340---
GLUTAROYL CARNITINECAR DC5:0ME64442553481622---
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETALGlyceraldehyde 3-phosphate diethyl acetalME644428----
GLYCOLITHOCHOLIC ACID ETHYL ESTER-ME64443516219441---
ISOVALERYLCARNITINECAR 4:0;3MeME6444676426851---
LAUROYLCARNITINECAR 12:0ME64447110427569---
LEUCYLPHENYLALANINELeu-PheME6444756992310---
LINOLEOYLGLYCEROPHOSPHOCHOLINE (??)LPC 18:2ME644477----
L-LEUCYL-L-LEUCINELeu-LeuME64447976807---
METHIONYLALANINEMet-AlaME6444867009581---
METHYL ACETOACETATEMethylacetoacetic acidME6444877757---
METHYLGLUTAROYLCARNITINECAR DC5:0;3MeME644492----
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME64448974706---
METHYL VANILLATEMethyl vanillateME64449119844---
MEVALOLACTONEMevalolactoneME644496----
MONO-ETHYL MALONATEMonoethyl malonic acidME64449770615---
MONO-METHYL GLUTARATEMonomethyl glutaric acidME64449873917---
N4-ACETYLCYTIDINEN4-AcetylcytidineME644504107461---
N-ACETYL-D-HEXOSAMINEN-AcetylhexosamineME64450824139---
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME64450970914---
N-ACETYL-L-ALANINEN-AcetylalanineME64451288064---
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME644519----
N-BOC-D-GLUCOSAMINEGlucosamineME6445234108462---
OLEAMIDEOleamideME6445395283387---
OLEOYLCARNITINECAR 18:1ME6445406441392---
O-PHOSPHONOHEXOPYRANOSE-ME644543----
OPHTHALMIC ACIDOphthalmic acidME6445447018721---
PALMITOLEOYLGLYCEROPHOSPHOCHOLINELPC 16:1ME64455024779461---
PALMITOYL SPHINGOMYELINSM 18:1;O2/16:0ME6445519939941---
PARAOXON-METHYLParaoxon-methylME64455513708---
P-BROMO-DL-PHENYLALANINEP-Bromo-DL-phenylalanineME64455785681---
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCERO...-ME644559----
PENTOPYRANOSEPentopyranoseME644561641630---
POSSIBLY C10H13NO2-ME644572----
POSSIBLY C42H80NO7P, Na ADDUCT-ME644573----
PRO-HYDROXY-PROPro-hydroxyProME64457711902892---
PROMETRYNPrometrynME6445794929---
PYRIDINE CARBOXYLIC ACID-ME644585----
SELENOCYSTAMINESelenocystamineME644605115119---
SORBIC ACIDSorbic acidME644610643460---
STEAROYLGLYCEROPHOSPHOCHOLINELPC 18:0ME644619----
TIGLYL CARNITINECAR 4:1;2MeME64463222833596---


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