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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-hydroxy-2-decenoic acid-ME822131----
10-Hydroxydecanoate10-Hydroxydecanoic acidME822132-C02774--
10-undecanoate-ME822133----
1-Aminocyclopropanecarboxylate1-Aminocyclopropanecarboxylic acidME822129-C01234--
1-Methylhistidine1-MethylhistidineME822130-C01152--
2,3-Dihydroxybenzoate2-Pyrocatechuic acidME822135-C00196--
2',4'-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME822134-C03663--
2,4-DihydroxypteridineLumazineME822136----
2,5-DihydroxybenzoateGentisic acidME822137-C00628--
2-Aminooctanoate2-Aminocaprylic acidME822138----
2-Aminophenol2-AminophenolME822139-C01987--
2-Ethyl-2-hydroxybutanoate-ME822140----
2-Hydroxy-4-(methylthio)butanoate2-Hydroxy-4-(methylthio)butanoic acidME822141----
2-Hydroxybutyrate2-Hydroxybutyric acidME822142-C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME822143-C02630--
2-Hydroxyhexadecanoate2-Hydroxypalmitic acidME822144----
2-Hydroxypyridine2-HydroxypyridineME822145-C02502--
2-Hydroxytetradecanoate-ME822146----
2-Isopropylmalate2-Isopropylmalic acidME822147-C02504--
2-Ketohexanoic-ME822148-C00902--
2-OctenoylcarnitineCAR 8:1(2)ME822149----
2-PropenoateAcrylic acidME822150-C00511--
2-QuinolinecarboxylateQuinaldic acidME822151-C06325--
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME822152-C01198--
3-(3,4,5-Trimethoxyphenyl)propionate-ME822153----
3,3-Dimethylglutarate-ME822155----
3,4,5-Trimethoxycinnamate3,4,5-Trimethoxycinnamic acidME822156----
3,4-DihydroxybenzoateProtocatechuic acidME822157-C00230--
3,4-Dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME822158-C01161--
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME822159-C05576--
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME822154-C01179--
3-Dehydroshikimate3-DehydroshikimateME822160-C02637--
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME822161-C00632--
3-Hydroxybenzaldehyde3-HydroxybenzaldehydeME822162-C03067--
3-Hydroxybenzenemethanol3-Hydroxybenzyl alcoholME822163-C03351--
3-HydroxydodecanoylcarnitineCAR 12:0;OHME822164----
3-HydroxyhexadecanoylcarnitineCAR 16:0;3OHME822165----
3-Hydroxymethylglutarate3-Hydroxymethylglutaric acidME822166-C03761--
3-Hydroxyoctanoate3-Hydroxyoctanoic acidME822167----
3-HydroxypyruvateHydroxypyruvic acidME822168-C00168--
3-Hydroxysebacate3-Hydroxysebacic acidME822169----
3-Methoxy-4-hydroxymandelateVanillylmandelic acidME822170-C05584--
3-Methoxytyrosine3-MethoxytyrosineME822171----
3-Methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME822172-C03465--
3-Methyladenine3-MethyladenineME822173-C00913--
3-MethylglutarylcarnitineCAR DC5:0;3MeME822174----
3-Methylhistamine3-MethylhistamineME822175----
3-NitrotyrosineNitrotyrosineME822176----
3-Sulfinoalanine3-Sulfino-alanineME822177-C00606--
4-Acetamidobutanoate4-Acetamidobutanoic acidME822178-C02946--
4-Acetylbutyrate5-Ketocaproic acidME822179-C02129--
4-Coumaratecis-p-Coumaric acidME822180-C00811--
4-Guanidinobutanoate4-Guanidinobutanoic acidME822181-C01035--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME822182-C00633--
4-Hydroxybenzoate4-Hydroxybenzoic acidME822183-C00156--
4-Hydroxyphenyl-2-propionate-ME822184-C03080--
4-Hydroxyphenylglycine4-HydroxyphenylglycineME822185----
4-ImidazoleacetateImidazoleacetic acidME822186-C02835--
4-Methoxybenzeneacetate-ME822187----
4-Methylcatechol4-MethylcatecholME822188-C06730--
4-Pyridoxate4-Pyridoxic acidME822189-C00847--
5-Aminolevulinate5-Amino-levulinic acidME822190-C00430--
5-Aminopentanoate5-Aminopentanoic acidME822191-C00431--
5-Deoxyadenosine-ME822192-C05198--
5-Hydroxylysine5-HydroxylysineME822193-C16741--
5-Hydroxytryptophan5-Hydroxy-tryptophanME822194----
5-Methoxytryptophan5-MethoxytryptophanME822195----
5-Methylcytosine5-MethylcytosineME822196-C02376--
5-Valerolactone5-ValerolactoneME822197-C02240--
6-CarboxyhexanoatePimelic acidME822198-C02656--
6-Hydroxydopamine6-HydroxydopamineME822199----
6-Hydroxynicotinate6-Hydroxynicotinic acidME822200-C01020--
6-Phosphogluconate6-Phosphogluconic acidME822201-C00345--
6-Phosphonogluconolactone-ME822202-C01236--
7alpha-Hydroxy-3-oxo-4-cholestenoate7alpha-Hydroxy-3-oxo-4-cholestenoic acidME822204-C17337--
7-Hydroxyoctanoate7-Hydroxyoctanoic acidME822203----
9-DecenoylcarnitineCAR 10:1(9)ME821891----
AcetoacetateAcetoacetic acidME821823-C00164--
AcetoinAcetoinME821824-C00466--
AcetylcarnitineCAR 2:0ME821825-C02571--
AdenineAdenineME821826-C00147--
AdenosineAdenosineME821827-C00212--
Adenosine monophosphateAMPME821828-C00020--
AdipateAdipic acidME821829----
ADP-glucoseADP-glucoseME821830-C00498--
Agmatine sulfateAgmatineME821831-C00179--
AicarAICARME821832-C04677--
AlanineAlanineME821833-C00041--
AllantoinAllantoinME821834-C01551--
alpha-KetoisovalerateKetoisovaleric acidME821835-C00141--
AminoadipateAminoadipic acidME821836-C00956--
AnserineAnserineME821837-C01262--
ArabitolArabitolME821838-C00532--
ArginineArginineME821839-C00062--
ArgininosuccinateArgininosuccinic acidME821840-C03406--
AscorbateVitamin CME821841-C00072--
AsparagineAsparagineME821842-C00152--
AspartateAspartic acidME821843-C00402--
AzelateAzelaic acidME821844-C08261--
BenzaldehydeBenzaldehydeME821845-C00261--
BenzoateBenzoic acidME821846-C00180--
BenzylamineBenzylamineME821847-C15562--
BetaineBetaineME821848-C00719--
Betaine aldehydeBetaine aldehydeME821849-C00576--
BiliverdinBiliverdinME821850-C00500--
BiotinBiotinME821851-C00120--
Bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME821852-C03690--
ButanoateButyric acidME821853-C00246--
CaffeateCaffeic acidME821854-C01481--
CaffeineCaffeineME821855-C07481--
CarnitineCarnitineME821856-C00318--
Carnitine (12:0)CAR 12:0ME821857----
Carnitine (14:0)CAR 14:0ME821858----
Carnitine (16:0)CAR 16:0ME821859-C02990--
Carnitine (18:1)CAR 18:1ME821860----
Carnitine (3:0)CAR 3:0ME821861-C03017--
Carnitine (4:0)CAR 4:0ME821862-C02862--
Carnitine (6:0)CAR 6:0ME821863----
Carnitine (8:0)CAR 8:0ME821864-C02838--
Carnitine (glutaryl)-ME821865----
CarnosineCarnosineME821866-C00386--
CDP-ethanolamineCDP-EthanolamineME821867-C00570--
CholateCholic acidME821868-C00695--
cis-4-Hydroxyprolinecis-4-HydroxyprolineME821869-C01015--
cis-Aconitatecis-Aconitic acidME821870-C00417--
CiticolineCDP-cholineME821871-C00307--
CitramalateCitramalic acidME821872-C00815--
CitrateCitric acidME821873-C00158--
CitrullineCitrullineME821874-C00327--
Cortexolone11-DeoxycortisolME821875-C05488--
CortisoneCortisoneME821876-C00762--
CreatineCreatineME821877-C00300--
CreatinineCreatinineME821878-C00791--
Cyclic ADP-riboseCyclic ADP-riboseME821879-C13050--
Cyclic AMP3',5' cyclic AMPME821880-C00575--
CystathionineCystathionineME821881-C02291--
CysteineCysteineME821882-C00097--
CystineCystineME821883-C00491--
CytidineCytidineME821884-C00475--
Cytidine cyclic phosphate-ME821885-C02354--
Cytidine diphosphateCDPME821886-C00112--
Cytidine monophosphateCMPME821887-C00055--
CytosineCytosineME821888-C00380--
DecadienoylcarnitineCAR 10:2ME821889----
DecanoylcarnitineCAR 10:0ME821890----
DeoxyadenosineDeoxyadenosineME821892-C00559--
Deoxyadenosine monophosphatedAMPME821893-C00360--
Deoxycarnitine3-DehydroxycarnitineME821894-C01181--
DeoxycholateDeoxycholic acidME821895-C04483--
DeoxycytidineDeoxycytidineME821896-C00881--
Deoxycytidine monophosphatedCMPME821897-C00239--
DeoxyguanosineDeoxyguanosineME821898-C00330--
Deoxyguanosine monophosphatedGMPME821899-C00362--
DeoxyinosineDeoxyinosineME821900-C05512--
DeoxyriboseDeoxyriboseME821901-C01801--
DeoxyuridineDeoxyuridineME821902-C00526--
Deoxyuridine monophosphatedUMPME821903-C00365--
DiacetylDiacetylME821904-C00741--
Diaminopimelate2,6-Diaminopimelic acidME821905-C00666--
DiethanolamineDiethanolamineME821906-C06772--
DihydrouracilDihydrouracilME821907-C00429--
DimethylglycineDimethylglycineME821908-C01026--
DocosahexaenoateDocosahexaenoic acidME821909-C06429--
DopamineDopamineME821910-C03758--
EicosapentaenoateEicosapentaenoic acidME821911-C06428--
Erythrose 4-phosphateErythrose 4-phosphateME821912-C00279--
EthylmalonateEthylmalonic acidME821913----
FA (16:0)Palmitic acidME821914-C00249--
FA (18:1)Octadecenoic acidME821915-C00712--
FADFADME821916-C00016--
Ferulatetrans-Ferulic acidME821917-C01494--
FolateFolic acidME821918-C00504--
Fructose 1,6-bisphophate-ME821919-C00354--
Fructose 6-phosphateFructose 6-phosphateME821920-C00085--
FumarateFumaric acidME821921-C00122--
Gamma-linoleonate-ME821922-C06426--
GluconateGluconic acidME821923-C00257--
GluconolactoneGluconolactoneME821924-C00198--
Glucosamine 6-phosphateGlucosamine 6-phosphateME821925-C00352--
Glucosamine 6-sulfateGlucosamine 6-sulfateME821926-C04132--
GlucuronateGlucuronic acidME821927-C00191--
GlucuronolactoneGlucuronolactoneME821928-C02670--
GlutamateGlutamic acidME821929-C00025--
GlutamineGlutamineME821930-C00064--
GlutarateGlutaric acidME821931-C00489--
GlutathioneGlutathioneME821932-C00051--
Glutathione disulfideOxidized glutathioneME821933-C00127--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME821934----
GlycerateGlyceric acidME821935-C00258--
Glycerol 3-phosphatesn-Glycero-3-phosphateME821936-C00093--
Glycerophosphocholinesn-Glycero-3-phosphocholineME821937-C00670--
GlycineGlycineME821938-C00037--
GlycochenodeoxycholateGlycochenodeoxycholic acidME821939-C05466--
GlycocholateGlycocholic acidME821940-C01921--
GlycodeoxycholateGlycodeoxycholic acidME821941-C05464--
GlycolateGlycolic acidME821942-C00160--
GlycolithocholateGlycolithocholic acidME821943-C15557--
GlycoursodeoxycholateGlycoursodeoxycholic acidME821944----
GlyoxylateGlyoxylic acidME821945-C00048--
GuanidinoacetateGuanidoacetic acidME821946-C00581--
GuanidinosuccinateGuanidinosuccinic acidME821947-C03139--
GuanineGuanineME821948-C00242--
GuanosineGuanosineME821949-C00387--
Guanosine monophosphateGMPME821950-C00144--
GulonolactoneL-GulonolactoneME821951-C01040--
HeptadecanoateMargaric acidME821952----
HexosaminesGlucosamineME821953-C00329--
HexoseHexoseME821954----
HippurateHippuric acidME821955-C01586--
HistamineHistamineME821956-C00388--
HistidineHistidineME821957-C00135--
HomocysteineHomocysteineME821958-C00155--
HomogentisateHomogentisic acidME821959-C00544--
HomoserineHomoserineME821960-C00263--
HydroquinoneHydroquinoneME821961-C00530--
Hydroxy-FA (12:0)-ME821962-C08317--
Hydroxy-isocaproate2-Hydroxyisocaproic acidME821963----
HydroxykynurenineHydroxykynurenineME821964-C02794--
HydroxyphenyllactateHydroxyphenyllactic acidME821965-C03672--
HyocholateHyocholic acidME821966----
HypotaurineHypotaurineME821967-C00519--
HypoxanthineHypoxanthineME821968-C00262--
Indole-3-acetateIndoleacetic acidME821969-C00954--
Indole-3-carboxylateIndole-3-carboxylic acidME821970-C19837--
Indole-3-ethanolTryptophanolME821971-C00955--
IndoleacetaldehydeIndoleacetaldehydeME821972-C00637--
InosineInosineME821973-C00294--
IsocitrateIsocitric acidME821974-C00311--
IsoleucineIsoleucineME821975-C00407--
IsovalerylcarnitineCAR 4:0;3MeME821976----
ItaconateItaconic acidME821977-C00490--
KetoleucineKetoleucineME821978-C00233--
KynurenineKynurenineME821979-C00328--
LactateLactic acidME821981-C01432--
LactoseLactoseME821982-C00243--
LactoylglutathioneS-LactoylglutathioneME821983-C03451--
L-DOPADOPAME821980-C00355--
LeucineLeucineME821984-C00123--
LinoleateLinoleic acidME821985-C01595--
LithocholateLithocholic acidME821986-C03990--
LumichromeLumichromeME821987-C01727--
LysineLysineME821988-C00047--
Lyso-PC (16:0)LPC 16:0ME821989-C04230--
Lyso-PC (18:1)LPC 18:1ME821990----
Lyso-PE (16:0)LPE 16:0ME821991----
Lyso-PE (18:1)LPE 18:1ME821992----
MalateMalic acidME821993-C00149--
MaleateMaleic acidME821994-C01384--
MaleimideMaleimideME821995-C07272--
MalonateMalonic acidME821996-C00383--
MannitolMannitolME821997-C00392--
MesaconateMesaconic acidME821998-C01732--
MethionineMethionineME821999-C00073--
Methionine sulfoxideMethionine sulfoxideME822000-C02989--
Methyl jasmonateMethyl jasmonateME822001-C11512--
MevalolactoneMevalolactoneME822002----
MevalonateMevalonic acidME822003-C00418--
MurideoxycholateMurideoxycholic acidME822004-C15515--
N1-AcetylspermineN1-AcetylspermineME822027-C02567--
N-AcetylalanineN-AcetylalanineME822005----
N-AcetylarginineN-AcetylarginineME822006----
N-AcetylasparagineN-AcetylasparagineME822007----
N-AcetylaspartateN-Acetylaspartic acidME822008-C01042--
N-AcetylaspartylglutamateN-Acetyl-Asp-GluME822009-C12270--
N-AcetylcysteineN-AcetylcysteineME822010----
N-AcetylglucosamineN-Acetyl-D-glucosamineME822011-C00140--
N-AcetylglutamateN-Acetylglutamic acidME822012-C00624--
N-AcetylglycineN-AcetylglycineME822013----
N-AcetylleucineN-AcetylleucineME822014-C02710--
N-AcetylmethionineN-AcetylmethionineME822015-C02712--
N-AcetylneuraminateN-Acetylneuraminic acidME822016-C00270--
N-AcetylornithineN-AcetylornithineME822017-C00437--
N-AcetylphenylalanineN-AcetylphenylalanineME822018-C03519--
N-AcetylprolineN-Acetyl-prolineME822019----
N-AcetylputrescineN-AcetylputrescineME822020-C02714--
N-AcetyltryptophanN-Acetyl-tryptophanME822021----
NAD+NADME822028-C00003--
NADPHNADPHME822029-C00005--
N-alpha-AcetyllysineN(2)-AcetyllysineME822022-C12989--
N-FormylglycineN-FormylglycineME822023----
N-FormylmethionineN-FormylmethionineME822024-C03145--
NicotinamideNiacinamideME822030-C00153--
Nicotinamide hypoxanthine dinucleotideNicotinamide purin-6-ol-dinucleotideME822031-C04423--
Nicotinamide mononucleotideNicotinamide ribotideME822032-C00455--
NicotinateNicotinic acidME822033-C00253--
N,N-DimethylarginineDimethylarginineME822025-C03626--
N,N,N-TrimethyllysineN-6-TrimethyllysineME822026-C03793--
Nor-Desoxycholate-ME822034----
O-AcetylserineO-AcetylserineME822035-C00979--
O-AdipoylcarnitineCAR DC6:0ME822036----
OctopamineOctopamineME822040-C04227--
O-PhosphoserineDL-O-PhosphoserineME822037-C01005--
OphthalmateOphthalmic acidME822041-C21016--
OrnithineOrnithineME822042-C00077--
OrotateOrotic acidME822043-C00295--
O-SuccinylcarnitineCAR DC4:0ME822039----
O-Succinyl homoserineo-SuccinylhomoserineME822038-C01118--
OxoadipateOxoadipic acidME822044-C00322--
OxoprolineOxoprolineME822045-C01879--
PantothenatePantothenic acidME822046-C00864--
PhenethylaminePhenylethylamineME822047-C05332--
PhenylacetatePhenyl acetateME822048-C07086--
PhenylalaninePhenylalanineME822049----
Phenylethanolamine2-HydroxyphenethylamineME822050-C02735--
PhenyllactatePhenyllactic acidME822051-C01479--
PhosphocreatinePhosphocreatineME822052-C02305--
PhosphoethanolaminePhosphoethanolamineME822053-C00346--
PhosphorylcholineCholine phosphateME822054-C00588--
PhosphoserinePhosphoserineME822055----
PipecolatePipecolic acidME822056-C00408--
PorphobilinogenPorphobilinogenME822057-C00931--
ProlineProlineME822058-C00148--
PropionylcholinePropionylcholineME822059----
PterinPterinME822060-C00715--
PutrescinePutrescineME822061-C00134--
Putrescine-NH3PutrescineME822062----
PyridoxalPyridoxalME822063-C00250--
PyridoxinePyridoxineME822064-C00314--
PyrocatecholPyrocatecholME822065-C00090--
PyroglutamatePyroglutamic acidME822066----
PyruvatePyruvic acidME822067-C00022--
QuinateQuinic acidME822068----
RaffinoseRaffinoseME822069-C00492--
RibitolRibitolME822070-C00474--
RiboflavinRiboflavinME822071-C00255--
Ribose 5-phosphateRibose 5-phosphateME822072-C00117--
SaccharateGlucaric acidME822077-C00818--
S-adenosylhomocysteineS-AdenosylhomocysteineME822073-C00021--
S-AdenosylmethionineS-AdenosylmethionineME822074-C00019--
SalicylamideSalicylamideME822078----
SalsolinolSalsolinolME822079-C09642--
SarcosineSarcosineME822080-C00213--
S-CarboxymethylcysteineS-Carboxymethyl-cysteineME822075----
SebacateSebacic acidME822081-C08277--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME822082----
SerineSerineME822083-C00065--
SerotoninSerotoninME822084-C00780--
S-Methylthioadenosine5'-MethylthioadenosineME822076-C00170--
SorbateSorbic acidME822085----
SorbitolSorbitolME822086----
SpermidineSpermidineME822087-C00315--
SpermineSpermineME822088-C00750--
StachyoseStachyoseME822089-C01613--
StearateStearic acidME822090-C01530--
StearoylcarnitineCAR 18:0ME822091----
SuberateSuberic acidME822092-C08278--
SuccinateSuccinic acidME822093-C00042--
TartrateTartaric acidME822094-C00898--
TaurineTaurineME822095-C00245--
TetrahydrobiopterinSapropterinME822096-C00272--
TheobromineTheobromineME822097-C07480--
TheophyllineTheophyllineME822098-C07130--
Thiamine monophosphateThiamine monophosphateME822099-C01081--
ThreonineThreonineME822100-C00188--
ThymidineThymidineME822101-C00214--
Thymidine monophosphatedTMPME822102-C00364--
ThymineThymineME822103-C00178--
Thyrotropin releasing hormoneThyrotropin releasing hormoneME822104-C03958--
ThyroxineThyroxineME822105-C01829--
trans-2-DodecenoylcarnitineCAR 12:1(2E)ME822106----
trans-2-Tetradecenoylcarnitinetrans-2-TetradecenoylcarnitineME822107----
trans-Aconitatetrans-Aconitic acidME822108-C02341--
trans-trans-Mucanoate-ME822109----
TraumatateTraumatic acidME822110-C16308--
TrigonellineTrigonellineME822111-C01004--
TrimethylamineTrimethylamineME822112-C00565--
TryptophanTryptophanME822113-C00078--
TyrosineTyrosineME822114-C01536--
UDP-GlucoseUDP-glucoseME822115-C00029--
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME822116-C00043--
UndecanedionateUndecanedioic acidME822117----
UracilUracilME822118-C00106--
Uracil 5-carboxylateUracil-5-carboxylic acidME822119----
UrateUric acidME822120-C00366--
UreidopropionateUreidopropionic acidME822121-C02642--
UridineUridineME822122-C00299--
Uridine diphosphateUDPME822123-C00015--
Uridine monophosphateUMPME822124-C00105--
UrocanateUrocanic acidME822125-C00785--
UrsocholateUrsocholic acidME822126-C17644--
UrsodeoxycholateUrsodeoxycholic acidME822127-C07880--
ValineValineME822128-C16436--
XanthineXanthineME822205-C00385--
XanthosineXanthosineME822206-C01762--


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-hydroxy-2-decenoic acid-ME822515----
10-Hydroxydecanoate10-Hydroxydecanoic acidME822516-C02774--
10-undecanoate-ME822517----
1-Aminocyclopropanecarboxylate1-Aminocyclopropanecarboxylic acidME822513-C01234--
1-Methylhistidine1-MethylhistidineME822514-C01152--
2,3-Dihydroxybenzoate2-Pyrocatechuic acidME822519-C00196--
2',4'-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME822518-C03663--
2,4-DihydroxypteridineLumazineME822520----
2,5-DihydroxybenzoateGentisic acidME822521-C00628--
2-Aminooctanoate2-Aminocaprylic acidME822522----
2-Aminophenol2-AminophenolME822523-C01987--
2-Ethyl-2-hydroxybutanoate-ME822524----
2-Hydroxy-4-(methylthio)butanoate2-Hydroxy-4-(methylthio)butanoic acidME822525----
2-Hydroxybutyrate2-Hydroxybutyric acidME822526-C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME822527-C02630--
2-Hydroxyhexadecanoate2-Hydroxypalmitic acidME822528----
2-Hydroxypyridine2-HydroxypyridineME822529-C02502--
2-Hydroxytetradecanoate-ME822530----
2-Isopropylmalate2-Isopropylmalic acidME822531-C02504--
2-Ketohexanoic-ME822532-C00902--
2-OctenoylcarnitineCAR 8:1(2)ME822533----
2-PropenoateAcrylic acidME822534-C00511--
2-QuinolinecarboxylateQuinaldic acidME822535-C06325--
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME822536-C01198--
3-(3,4,5-Trimethoxyphenyl)propionate-ME822537----
3,3-Dimethylglutarate-ME822539----
3,4,5-Trimethoxycinnamate3,4,5-Trimethoxycinnamic acidME822540----
3,4-DihydroxybenzoateProtocatechuic acidME822541-C00230--
3,4-Dihydroxyphenylacetate3,4-Dihydroxybenzeneacetic acidME822542-C01161--
3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME822543-C05576--
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME822538-C01179--
3-Dehydroshikimate3-DehydroshikimateME822544-C02637--
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME822545-C00632--
3-Hydroxybenzaldehyde3-HydroxybenzaldehydeME822546-C03067--
3-Hydroxybenzenemethanol3-Hydroxybenzyl alcoholME822547-C03351--
3-HydroxydodecanoylcarnitineCAR 12:0;OHME822548----
3-HydroxyhexadecanoylcarnitineCAR 16:0;3OHME822549----
3-Hydroxymethylglutarate3-Hydroxymethylglutaric acidME822550-C03761--
3-Hydroxyoctanoate3-Hydroxyoctanoic acidME822551----
3-HydroxypyruvateHydroxypyruvic acidME822552-C00168--
3-Hydroxysebacate3-Hydroxysebacic acidME822553----
3-Methoxy-4-hydroxymandelateVanillylmandelic acidME822554-C05584--
3-Methoxytyrosine3-MethoxytyrosineME822555----
3-Methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME822556-C03465--
3-Methyladenine3-MethyladenineME822557-C00913--
3-MethylglutarylcarnitineCAR DC5:0;3MeME822558----
3-Methylhistamine3-MethylhistamineME822559----
3-NitrotyrosineNitrotyrosineME822560----
3-Sulfinoalanine3-Sulfino-alanineME822561-C00606--
4-Acetamidobutanoate4-Acetamidobutanoic acidME822562-C02946--
4-Acetylbutyrate5-Ketocaproic acidME822563-C02129--
4-Coumaratecis-p-Coumaric acidME822564-C00811--
4-Guanidinobutanoate4-Guanidinobutanoic acidME822565-C01035--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME822566-C00633--
4-Hydroxybenzoate4-Hydroxybenzoic acidME822567-C00156--
4-Hydroxyphenyl-2-propionate-ME822568-C03080--
4-Hydroxyphenylglycine4-HydroxyphenylglycineME822569----
4-ImidazoleacetateImidazoleacetic acidME822570-C02835--
4-Methoxybenzeneacetate-ME822571----
4-Methylcatechol4-MethylcatecholME822572-C06730--
4-Pyridoxate4-Pyridoxic acidME822573-C00847--
5-Aminolevulinate5-Amino-levulinic acidME822574-C00430--
5-Aminopentanoate5-Aminopentanoic acidME822575-C00431--
5-Deoxyadenosine-ME822576-C05198--
5-Hydroxylysine5-HydroxylysineME822577-C16741--
5-Hydroxytryptophan5-Hydroxy-tryptophanME822578----
5-Methoxytryptophan5-MethoxytryptophanME822579----
5-Methylcytosine5-MethylcytosineME822580-C02376--
5-Valerolactone5-ValerolactoneME822581-C02240--
6-CarboxyhexanoatePimelic acidME822582-C02656--
6-Hydroxydopamine6-HydroxydopamineME822583----
6-Hydroxynicotinate6-Hydroxynicotinic acidME822584-C01020--
6-Phosphogluconate6-Phosphogluconic acidME822585-C00345--
6-Phosphonogluconolactone-ME822586-C01236--
7alpha-Hydroxy-3-oxo-4-cholestenoate7alpha-Hydroxy-3-oxo-4-cholestenoic acidME822588-C17337--
7-Hydroxyoctanoate7-Hydroxyoctanoic acidME822587----
9-DecenoylcarnitineCAR 10:1(9)ME822275----
AcetoacetateAcetoacetic acidME822207-C00164--
AcetoinAcetoinME822208-C00466--
AcetylcarnitineCAR 2:0ME822209-C02571--
AdenineAdenineME822210-C00147--
AdenosineAdenosineME822211-C00212--
Adenosine monophosphateAMPME822212-C00020--
AdipateAdipic acidME822213----
ADP-glucoseADP-glucoseME822214-C00498--
Agmatine sulfateAgmatineME822215-C00179--
AicarAICARME822216-C04677--
AlanineAlanineME822217-C00041--
AllantoinAllantoinME822218-C01551--
alpha-KetoisovalerateKetoisovaleric acidME822219-C00141--
AminoadipateAminoadipic acidME822220-C00956--
AnserineAnserineME822221-C01262--
ArabitolArabitolME822222-C00532--
ArginineArginineME822223-C00062--
ArgininosuccinateArgininosuccinic acidME822224-C03406--
AscorbateVitamin CME822225-C00072--
AsparagineAsparagineME822226-C00152--
AspartateAspartic acidME822227-C00402--
AzelateAzelaic acidME822228-C08261--
BenzaldehydeBenzaldehydeME822229-C00261--
BenzoateBenzoic acidME822230-C00180--
BenzylamineBenzylamineME822231-C15562--
BetaineBetaineME822232-C00719--
Betaine aldehydeBetaine aldehydeME822233-C00576--
BiliverdinBiliverdinME822234-C00500--
BiotinBiotinME822235-C00120--
Bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME822236-C03690--
ButanoateButyric acidME822237-C00246--
CaffeateCaffeic acidME822238-C01481--
CaffeineCaffeineME822239-C07481--
CarnitineCarnitineME822240-C00318--
Carnitine (12:0)CAR 12:0ME822241----
Carnitine (14:0)CAR 14:0ME822242----
Carnitine (16:0)CAR 16:0ME822243-C02990--
Carnitine (18:1)CAR 18:1ME822244----
Carnitine (3:0)CAR 3:0ME822245-C03017--
Carnitine (4:0)CAR 4:0ME822246-C02862--
Carnitine (6:0)CAR 6:0ME822247----
Carnitine (8:0)CAR 8:0ME822248-C02838--
Carnitine (glutaryl)-ME822249----
CarnosineCarnosineME822250-C00386--
CDP-ethanolamineCDP-EthanolamineME822251-C00570--
CholateCholic acidME822252-C00695--
cis-4-Hydroxyprolinecis-4-HydroxyprolineME822253-C01015--
cis-Aconitatecis-Aconitic acidME822254-C00417--
CiticolineCDP-cholineME822255-C00307--
CitramalateCitramalic acidME822256-C00815--
CitrateCitric acidME822257-C00158--
CitrullineCitrullineME822258-C00327--
Cortexolone11-DeoxycortisolME822259-C05488--
CortisoneCortisoneME822260-C00762--
CreatineCreatineME822261-C00300--
CreatinineCreatinineME822262-C00791--
Cyclic ADP-riboseCyclic ADP-riboseME822263-C13050--
Cyclic AMP3',5' cyclic AMPME822264-C00575--
CystathionineCystathionineME822265-C02291--
CysteineCysteineME822266-C00097--
CystineCystineME822267-C00491--
CytidineCytidineME822268-C00475--
Cytidine cyclic phosphate-ME822269-C02354--
Cytidine diphosphateCDPME822270-C00112--
Cytidine monophosphateCMPME822271-C00055--
CytosineCytosineME822272-C00380--
DecadienoylcarnitineCAR 10:2ME822273----
DecanoylcarnitineCAR 10:0ME822274----
DeoxyadenosineDeoxyadenosineME822276-C00559--
Deoxyadenosine monophosphatedAMPME822277-C00360--
Deoxycarnitine3-DehydroxycarnitineME822278-C01181--
DeoxycholateDeoxycholic acidME822279-C04483--
DeoxycytidineDeoxycytidineME822280-C00881--
Deoxycytidine monophosphatedCMPME822281-C00239--
DeoxyguanosineDeoxyguanosineME822282-C00330--
Deoxyguanosine monophosphatedGMPME822283-C00362--
DeoxyinosineDeoxyinosineME822284-C05512--
DeoxyriboseDeoxyriboseME822285-C01801--
DeoxyuridineDeoxyuridineME822286-C00526--
Deoxyuridine monophosphatedUMPME822287-C00365--
DiacetylDiacetylME822288-C00741--
Diaminopimelate2,6-Diaminopimelic acidME822289-C00666--
DiethanolamineDiethanolamineME822290-C06772--
DihydrouracilDihydrouracilME822291-C00429--
DimethylglycineDimethylglycineME822292-C01026--
DocosahexaenoateDocosahexaenoic acidME822293-C06429--
DopamineDopamineME822294-C03758--
EicosapentaenoateEicosapentaenoic acidME822295-C06428--
Erythrose 4-phosphateErythrose 4-phosphateME822296-C00279--
EthylmalonateEthylmalonic acidME822297----
FA (16:0)Palmitic acidME822298-C00249--
FA (18:1)Octadecenoic acidME822299-C00712--
FADFADME822300-C00016--
Ferulatetrans-Ferulic acidME822301-C01494--
FolateFolic acidME822302-C00504--
Fructose 1,6-bisphophate-ME822303-C00354--
Fructose 6-phosphateFructose 6-phosphateME822304-C00085--
FumarateFumaric acidME822305-C00122--
Gamma-linoleonate-ME822306-C06426--
GluconateGluconic acidME822307-C00257--
GluconolactoneGluconolactoneME822308-C00198--
Glucosamine 6-phosphateGlucosamine 6-phosphateME822309-C00352--
Glucosamine 6-sulfateGlucosamine 6-sulfateME822310-C04132--
GlucuronateGlucuronic acidME822311-C00191--
GlucuronolactoneGlucuronolactoneME822312-C02670--
GlutamateGlutamic acidME822313-C00025--
GlutamineGlutamineME822314-C00064--
GlutarateGlutaric acidME822315-C00489--
GlutathioneGlutathioneME822316-C00051--
Glutathione disulfideOxidized glutathioneME822317-C00127--
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME822318----
GlycerateGlyceric acidME822319-C00258--
Glycerol 3-phosphatesn-Glycero-3-phosphateME822320-C00093--
Glycerophosphocholinesn-Glycero-3-phosphocholineME822321-C00670--
GlycineGlycineME822322-C00037--
GlycochenodeoxycholateGlycochenodeoxycholic acidME822323-C05466--
GlycocholateGlycocholic acidME822324-C01921--
GlycodeoxycholateGlycodeoxycholic acidME822325-C05464--
GlycolateGlycolic acidME822326-C00160--
GlycolithocholateGlycolithocholic acidME822327-C15557--
GlycoursodeoxycholateGlycoursodeoxycholic acidME822328----
GlyoxylateGlyoxylic acidME822329-C00048--
GuanidinoacetateGuanidoacetic acidME822330-C00581--
GuanidinosuccinateGuanidinosuccinic acidME822331-C03139--
GuanineGuanineME822332-C00242--
GuanosineGuanosineME822333-C00387--
Guanosine monophosphateGMPME822334-C00144--
GulonolactoneL-GulonolactoneME822335-C01040--
HeptadecanoateMargaric acidME822336----
HexosaminesGlucosamineME822337-C00329--
HexoseHexoseME822338----
HippurateHippuric acidME822339-C01586--
HistamineHistamineME822340-C00388--
HistidineHistidineME822341-C00135--
HomocysteineHomocysteineME822342-C00155--
HomogentisateHomogentisic acidME822343-C00544--
HomoserineHomoserineME822344-C00263--
HydroquinoneHydroquinoneME822345-C00530--
Hydroxy-FA (12:0)-ME822346-C08317--
Hydroxy-isocaproate2-Hydroxyisocaproic acidME822347----
HydroxykynurenineHydroxykynurenineME822348-C02794--
HydroxyphenyllactateHydroxyphenyllactic acidME822349-C03672--
HyocholateHyocholic acidME822350----
HypotaurineHypotaurineME822351-C00519--
HypoxanthineHypoxanthineME822352-C00262--
Indole-3-acetateIndoleacetic acidME822353-C00954--
Indole-3-carboxylateIndole-3-carboxylic acidME822354-C19837--
Indole-3-ethanolTryptophanolME822355-C00955--
IndoleacetaldehydeIndoleacetaldehydeME822356-C00637--
InosineInosineME822357-C00294--
IsocitrateIsocitric acidME822358-C00311--
IsoleucineIsoleucineME822359-C00407--
IsovalerylcarnitineCAR 4:0;3MeME822360----
ItaconateItaconic acidME822361-C00490--
KetoleucineKetoleucineME822362-C00233--
KynurenineKynurenineME822363-C00328--
LactateLactic acidME822365-C01432--
LactoseLactoseME822366-C00243--
LactoylglutathioneS-LactoylglutathioneME822367-C03451--
L-DOPADOPAME822364-C00355--
LeucineLeucineME822368-C00123--
LinoleateLinoleic acidME822369-C01595--
LithocholateLithocholic acidME822370-C03990--
LumichromeLumichromeME822371-C01727--
LysineLysineME822372-C00047--
Lyso-PC (16:0)LPC 16:0ME822373-C04230--
Lyso-PC (18:1)LPC 18:1ME822374----
Lyso-PE (16:0)LPE 16:0ME822375----
Lyso-PE (18:1)LPE 18:1ME822376----
MalateMalic acidME822377-C00149--
MaleateMaleic acidME822378-C01384--
MaleimideMaleimideME822379-C07272--
MalonateMalonic acidME822380-C00383--
MannitolMannitolME822381-C00392--
MesaconateMesaconic acidME822382-C01732--
MethionineMethionineME822383-C00073--
Methionine sulfoxideMethionine sulfoxideME822384-C02989--
Methyl jasmonateMethyl jasmonateME822385-C11512--
MevalolactoneMevalolactoneME822386----
MevalonateMevalonic acidME822387-C00418--
MurideoxycholateMurideoxycholic acidME822388-C15515--
N1-AcetylspermineN1-AcetylspermineME822411-C02567--
N-AcetylalanineN-AcetylalanineME822389----
N-AcetylarginineN-AcetylarginineME822390----
N-AcetylasparagineN-AcetylasparagineME822391----
N-AcetylaspartateN-Acetylaspartic acidME822392-C01042--
N-AcetylaspartylglutamateN-Acetyl-Asp-GluME822393-C12270--
N-AcetylcysteineN-AcetylcysteineME822394----
N-AcetylglucosamineN-Acetyl-D-glucosamineME822395-C00140--
N-AcetylglutamateN-Acetylglutamic acidME822396-C00624--
N-AcetylglycineN-AcetylglycineME822397----
N-AcetylleucineN-AcetylleucineME822398-C02710--
N-AcetylmethionineN-AcetylmethionineME822399-C02712--
N-AcetylneuraminateN-Acetylneuraminic acidME822400-C00270--
N-AcetylornithineN-AcetylornithineME822401-C00437--
N-AcetylphenylalanineN-AcetylphenylalanineME822402-C03519--
N-AcetylprolineN-Acetyl-prolineME822403----
N-AcetylputrescineN-AcetylputrescineME822404-C02714--
N-AcetyltryptophanN-Acetyl-tryptophanME822405----
NAD+NADME822412-C00003--
NADPHNADPHME822413-C00005--
N-alpha-AcetyllysineN(2)-AcetyllysineME822406-C12989--
N-FormylglycineN-FormylglycineME822407----
N-FormylmethionineN-FormylmethionineME822408-C03145--
NicotinamideNiacinamideME822414-C00153--
Nicotinamide hypoxanthine dinucleotideNicotinamide purin-6-ol-dinucleotideME822415-C04423--
Nicotinamide mononucleotideNicotinamide ribotideME822416-C00455--
NicotinateNicotinic acidME822417-C00253--
N,N-DimethylarginineDimethylarginineME822409-C03626--
N,N,N-TrimethyllysineN-6-TrimethyllysineME822410-C03793--
Nor-Desoxycholate-ME822418----
O-AcetylserineO-AcetylserineME822419-C00979--
O-AdipoylcarnitineCAR DC6:0ME822420----
OctopamineOctopamineME822424-C04227--
O-PhosphoserineDL-O-PhosphoserineME822421-C01005--
OphthalmateOphthalmic acidME822425-C21016--
OrnithineOrnithineME822426-C00077--
OrotateOrotic acidME822427-C00295--
O-SuccinylcarnitineCAR DC4:0ME822423----
O-Succinyl homoserineo-SuccinylhomoserineME822422-C01118--
OxoadipateOxoadipic acidME822428-C00322--
OxoprolineOxoprolineME822429-C01879--
PantothenatePantothenic acidME822430-C00864--
PhenethylaminePhenylethylamineME822431-C05332--
PhenylacetatePhenyl acetateME822432-C07086--
PhenylalaninePhenylalanineME822433----
Phenylethanolamine2-HydroxyphenethylamineME822434-C02735--
PhenyllactatePhenyllactic acidME822435-C01479--
PhosphocreatinePhosphocreatineME822436-C02305--
PhosphoethanolaminePhosphoethanolamineME822437-C00346--
PhosphorylcholineCholine phosphateME822438-C00588--
PhosphoserinePhosphoserineME822439----
PipecolatePipecolic acidME822440-C00408--
PorphobilinogenPorphobilinogenME822441-C00931--
ProlineProlineME822442-C00148--
PropionylcholinePropionylcholineME822443----
PterinPterinME822444-C00715--
PutrescinePutrescineME822445-C00134--
Putrescine-NH3PutrescineME822446----
PyridoxalPyridoxalME822447-C00250--
PyridoxinePyridoxineME822448-C00314--
PyrocatecholPyrocatecholME822449-C00090--
PyroglutamatePyroglutamic acidME822450----
PyruvatePyruvic acidME822451-C00022--
QuinateQuinic acidME822452----
RaffinoseRaffinoseME822453-C00492--
RibitolRibitolME822454-C00474--
RiboflavinRiboflavinME822455-C00255--
Ribose 5-phosphateRibose 5-phosphateME822456-C00117--
SaccharateGlucaric acidME822461-C00818--
S-adenosylhomocysteineS-AdenosylhomocysteineME822457-C00021--
S-AdenosylmethionineS-AdenosylmethionineME822458-C00019--
SalicylamideSalicylamideME822462----
SalsolinolSalsolinolME822463-C09642--
SarcosineSarcosineME822464-C00213--
S-CarboxymethylcysteineS-Carboxymethyl-cysteineME822459----
SebacateSebacic acidME822465-C08277--
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME822466----
SerineSerineME822467-C00065--
SerotoninSerotoninME822468-C00780--
S-Methylthioadenosine5'-MethylthioadenosineME822460-C00170--
SorbateSorbic acidME822469----
SorbitolSorbitolME822470----
SpermidineSpermidineME822471-C00315--
SpermineSpermineME822472-C00750--
StachyoseStachyoseME822473-C01613--
StearateStearic acidME822474-C01530--
StearoylcarnitineCAR 18:0ME822475----
SuberateSuberic acidME822476-C08278--
SuccinateSuccinic acidME822477-C00042--
TartrateTartaric acidME822478-C00898--
TaurineTaurineME822479-C00245--
TetrahydrobiopterinSapropterinME822480-C00272--
TheobromineTheobromineME822481-C07480--
TheophyllineTheophyllineME822482-C07130--
Thiamine monophosphateThiamine monophosphateME822483-C01081--
ThreonineThreonineME822484-C00188--
ThymidineThymidineME822485-C00214--
Thymidine monophosphatedTMPME822486-C00364--
ThymineThymineME822487-C00178--
Thyrotropin releasing hormoneThyrotropin releasing hormoneME822488-C03958--
ThyroxineThyroxineME822489-C01829--
trans-2-DodecenoylcarnitineCAR 12:1(2E)ME822490----
trans-2-Tetradecenoylcarnitinetrans-2-TetradecenoylcarnitineME822491----
trans-Aconitatetrans-Aconitic acidME822492-C02341--
trans-trans-Mucanoate-ME822493----
TraumatateTraumatic acidME822494-C16308--
TrigonellineTrigonellineME822495-C01004--
TrimethylamineTrimethylamineME822496-C00565--
TryptophanTryptophanME822497-C00078--
TyrosineTyrosineME822498-C01536--
UDP-GlucoseUDP-glucoseME822499-C00029--
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME822500-C00043--
UndecanedionateUndecanedioic acidME822501----
UracilUracilME822502-C00106--
Uracil 5-carboxylateUracil-5-carboxylic acidME822503----
UrateUric acidME822504-C00366--
UreidopropionateUreidopropionic acidME822505-C02642--
UridineUridineME822506-C00299--
Uridine diphosphateUDPME822507-C00015--
Uridine monophosphateUMPME822508-C00105--
UrocanateUrocanic acidME822509-C00785--
UrsocholateUrsocholic acidME822510-C17644--
UrsodeoxycholateUrsodeoxycholic acidME822511-C07880--
ValineValineME822512-C16436--
XanthineXanthineME822589-C00385--
XanthosineXanthosineME822590-C01762--


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