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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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME45483879034C08317--
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME454740535C01234--
2,3-Dihydroxypropyl tetradecanoate-ME45484779050CA1370--
2-Aminophenol2-AminophenolME454742-C01987--
2-Deoxy-D-Glucose2-Deoxy-glucoseME45474382756C00586--
(2E,4E)-2,4-Hexadienoic acidSorbic acidME454853643460CA1411--
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME454746873C01198--
3-Amino-5-hydroxybenzoic acid3-Amino-5-hydroxybenzoic acidME454748-C12107--
3-Methyladenine3-MethyladenineME4547501673C00913--
3-Methyldioxyindole3-MethyldioxyindoleME454749151066C05834--
3-Methylhistidine3-MethylhistidineME45475164969C01152--
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME454754500C01035--
4-Hydroxy-L-prolinecis-4-HydroxyprolineME45475569248C01015--
4-Hydroxyphenylpyruvic acid4-Hydroxyphenylpyruvic acidME454747979C01179--
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME454781134C05543--
5-Aminolevulinic acid5-Amino-levulinic acidME454759137C00430--
5-Aminopentanoic acid5-Aminopentanoic acidME454760138C00431--
5-Methylcytosine5-MethylcytosineME45476165040C02376--
5'-Methylthioadenosine5'-MethylthioadenosineME454758439176C00170--
5'UMPUMPME4548636030C00105--
AdenosineAdenosineME45476360961C00212--
Adenosine monophosphateAMPME4547646083C00020--
AllantoinAllantoinME454765204C01551--
All-trans-retinoic acidRetinoic acidME454848444795C00777--
AnserineAnserineME454802112072C01262--
Beta-Alaninebeta-AlanineME454766239C00099--
BetaineBetaineME454767247C00719--
BiotinBiotinME454768171548C00120--
Cholic acidCholic acidME454769221493C00695--
CholineCholineME454770305C00114--
CitrullineCitrullineME4547719750C00327--
CorticosteroneCorticosteroneME4547735753C02140--
CortisolCortisolME454774657311C00735--
CortisoneCortisoneME454775225609C00762--
CreatineCreatineME454776586C00300--
CreatinineCreatinineME454778588C00791--
Cytidine monophosphateCMPME4547726131C00055--
CytosineCytosineME454779597C00380--
DethiobiotinDethiobiotinME454782445027C01909--
D-GalactosamineGalactosamineME454787739C02262--
Diaminopimelic acidDiaminopimelic acidME45474599290C00666--
DiethanolamineDiethanolamineME4547838113C06772--
DihydrouracilDihydrouracilME454762649C00429--
EpinephrineEpinephrineME4547855816C00788--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME454753119C00334--
Glucosamine 6-phosphateGlucosamine 6-phosphateME454788439217C00352--
Glycerol 3-phosphatesn-Glycero-3-phosphateME454852439162C00093--
Glycerophosphocholinesn-Glycero-3-phosphocholineME45485171920C00670--
Glyceryl monoacetate-ME4547415283468---
GlycineGlycineME454789750C00037--
Glycocholic acidGlycocholic acidME45479023617285C01921--
Guanidoacetic acidGuanidoacetic acidME454791763C00581--
GuanosineGuanosineME4547926802C00387--
Guanosine monophosphateGMPME4547936804C00144--
Hippuric acidHippuric acidME454794464C01586--
HypoxanthineHypoxanthineME454795790C00262--
Imidazoleacetic acidImidazoleacetic acidME45475796215C02835--
Indole-3-methyl acetateIndole-3-methyl acetateME45482474706CA1231--
IndoleacetaldehydeIndoleacetaldehydeME454796800C00637--
Indoleacetic acidIndoleacetic acidME454797802C00954--
InosineInosineME4547996021C00294--
Isopentenyl pyrophosphateIsopentenyl-diphosphateME4548001195C00129--
Kynurenic acidKynurenic acidME4548013845C01717--
LactoseLactoseME454780-C00243--
L-ArginineArginineME4548036322C00062--
L-AsparagineAsparagineME4548046267C00152--
L-Aspartic acidAspartic acidME4548055960C00049--
L-CarnitineCarnitineME4548062724480C00318--
L-Dihydroorotic acid4,5-Dihydroorotic acidME454784439216C00337--
L-Glutamic acidGlutamic acidME45480733032C00025--
L-GlutamineGlutamineME4548085961C00064--
L-HistidineHistidineME4548096274C00135--
L-KynurenineKynurenineME454810161166C00328--
L-LysineLysineME4548115962C00047--
L-NorleucineNorleucineME454822----
L-Norvaline2S-Aminopentanoic acidME4548127019097C01826--
L-PhenylalaninePhenylalanineME4548146140C00079--
L-ProlineProlineME454816145742C00148--
L-SerineSerineME4548175951C00065--
L-ThreonineThreonineME4548186288C00188--
L-TryptophanTryptophanME4548196305C00078--
L-TyrosineTyrosineME4548206057C00082--
LumichromeLumichromeME4548235326566C01727--
L-ValineValineME4548216287C00183--
MethylguanidineMethylguanidineME45482510111C02294--
Methylmalonic acidMethylmalonic acidME454826487C02170--
myo-InositolMyo-inositolME454827892C00137--
N-Acetyl-L-alanineN-AcetylalanineME45482988064C04341--
N-AcetylleucineN-AcetylleucineME45483170912C02710--
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME45483374839C03519--
N-AcetylmannosamineN-Acetyl-mannosamineME45483011096158C00645--
N-AcetylneuraminateN-Acetylneuraminic acidME4548283568C00270--
N-Alpha-acetyllysineN(2)-AcetyllysineME454832192590C12989--
NiacinamideNiacinamideME454835936C00153--
Nicotinic acidNicotinic acidME454836938C00253--
N-MethyltryptamineN-MethyltryptamineME4548346088C06213--
Oleic acidOleic acidME454837445639C00712--
O-PhosphoethanolaminePhosphoethanolamineME4547861015C00346--
OrnithineOrnithineME4548136262C00077--
Ortho-Hydroxyphenylacetic acid-ME45474411970C05852--
Oxfenicine4-HydroxyphenylglycineME45475636143CA1445--
Palmitic acidPalmitic acidME454839985C00249--
Pantothenic acidPantothenic acidME454840988C00864--
ParaxanthineParaxanthineME4548414687C13747--
PhenylacetaldehydePhenylacetaldehydeME454843998C00601--
PhenylethylaminePhenylethylamineME4548421001C05332--
PhosphocreatinePhosphocreatineME454777587C02305--
PhosphorylcholineCholine phosphateME4548441014C00588--
Pipecolic acidPipecolic acidME454815849C00408--
PterinPterinME45484573000C00715--
PyridoxaminePyridoxamineME4548461052C00534--
RiboflavinRiboflavinME454849493570C00255--
SerotoninSerotoninME4548505202C00780--
Suberic acidSuberic acidME45485410457C08278--
TaurineTaurineME4548551123C00245--
TheobromineTheobromineME4548565429C07480--
Thiamine monophosphateThiamine monophosphateME4548573382778C01081--
ThymineThymineME4548581135C00178--
trans-Cinnamic acidtrans-Cinnamic acidME454859444539C00423--
TrigonellineTrigonellineME4548605570C01004--
TryptophanolTryptophanolME45479810685C00955--
UracilUracilME4548611174C00106--
Ureidopropionic acidUreidopropionic acidME454752111C02642--
Uric acidUric acidME4548621175C00366--
Urocanic acidUrocanic acidME454864736715C00785--
XanthineXanthineME4548651188C00385--


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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME45493479034C08317--
2-Hydroxybutyric acid2-Hydroxybutyric acidME454868----
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME454869873C01198--
3-Hydroxycapric acid10-Hydroxydecanoic acidME45486726612C02774--
3-Methylglutaric acidMethylglutaric acidME454870-CA1192--
3-Sulfinoalanine3-Sulfino-alanineME454871439270C00606--
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME45487318189C02946--
4-Hydroxy-L-prolinecis-4-HydroxyprolineME45487469248C01015--
4-Methylcatechol4-MethylcatecholME4548779958C06730--
5'UMPUMPME4549436030C00105--
Acetyl-L-tryptophanN-Acetyl-D-tryptophanME454927-C03137--
Acetyl-serineO-AcetylserineME454930-CA1449--
Adenosine monophosphateAMPME4548806083C00020--
ADP-glucoseADP-glucoseME45487916500C00498--
AllantoinAllantoinME454881204C01551--
Alpha-D-GlucoseGlucoseME45490079025C00267--
Azelaic acidAzelaic acidME4548822266C08261--
Benzyl alcoholBenzyl alcoholME454883244C00556--
BiotinBiotinME454884171548C00120--
CiliatineCiliatineME454866339C03557--
Citramalic acidCitramalic acidME454886441696C00815--
CitrullineCitrullineME4548879750C00327--
CreatineCreatineME454888586C00300--
CreatinineCreatinineME454889588C00791--
DethiobiotinDethiobiotinME454893445027C01909--
D-MaltoseMaltoseME45492510991489C00208--
Formyl-L-Methionyl peptideN-FormylmethionineME454896-C03145--
Fumaric acidFumaric acidME454897444972C00122--
Galactaric acidGalactaric acidME4548983037582C00879--
Glucaric acidGlucaric acidME45489233037C00818--
Gluconic acidGluconic acidME45489910690C00257--
Glucosamine 6-phosphateGlucosamine 6-phosphateME454890439217C00352--
Glucose 6-phosphateGlucose 6-phosphateME4548915958C00092--
Glyceric acidGlyceric acidME454901439194C00258--
Glycocholic acidGlycocholic acidME45490223617285C01921--
Hippuric acidHippuric acidME454903464C01586--
Homogentisic acidHomogentisic acidME454904780C00544--
HypoxanthineHypoxanthineME454906790C00262--
Indoxyl sulfateIndoxyl sulfateME45490710258---
InosineInosineME4549086021C00294--
Isocitric acidIsocitric acidME4549091198C00311--
KetoleucineKetoleucineME45487670C00233--
L-ArabitolL-ArabitolME454910439255C00532--
L-ArginineArginineME4549116322C00062--
L-AsparagineAsparagineME4549126267C00152--
L-Aspartic acidAspartic acidME4549135960C00049--
L-CystathionineCystathionineME454914439258C00542--
L-Glutamic acidGlutamic acidME45491533032C00025--
L-HistidineHistidineME4549166274C00135--
L-HomoserineHomoserineME45490512647C00263--
L-Lactic acidLactic acidME45492261503C00256--
L-Malic acidMalic acidME454923222656C00149--
L-MethionineMethionineME4549176137C00073--
L-PhenylalaninePhenylalanineME4549186140C00079--
L-SerineSerineME4549195951C00065--
L-TryptophanTryptophanME4549206305C00078--
L-TyrosineTyrosineME4549216057C00082--
Malonic acidMalonic acidME454924867C00383--
MannitolMannitolME4549266251C00392--
N6-(delta2-Isopentenyl)-adenineN6-IsopentenyladenineME45493292180C04083--
N-Acetyl-L-methionineN-AcetylmethionineME4549296180C02712--
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME45492874839C03519--
N-AcetylneuraminateN-Acetylneuraminic acidME4549313568C00270--
Nicotinic acidNicotinic acidME454933938C00253--
O-PhosphoethanolaminePhosphoethanolamineME4548941015C00346--
Pantothenic acidPantothenic acidME454935988C00864--
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME454875127C00642--
PyrocatecholPyrocatecholME454885289C00090--
Pyroglutamic acidPyroglutamic acidME4548787405C01879--
Shikimic acidShikimic acidME4549368742C00493--
Suberic acidSuberic acidME45493710457C08278--
Succinic acidSuccinic acidME4549381110C00042--
TaurineTaurineME4549391123C00245--
trans-Aconitic acidtrans-Aconitic acidME454940444212C02341--
trans-Ferulic acidtrans-Ferulic acidME454895445858C01494--
UracilUracilME4549411174C00106--
Ureidopropionic acidUreidopropionic acidME454872111C02642--
UridineUridineME4549426029C00299--
Urocanic acidUrocanic acidME454944736715C00785--
XanthineXanthineME4549451188C00385--


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
17a-EstradiolEstradiol-17alphaME45499268570C02537--
1-Methyladenosine1-MethyladenosineME45494727476C02494--
2,3-Dihydroxypropyl tetradecanoate-ME45505479050CA1370--
2,6-Dihydroxypyridine2,6-DihydroxypyridineME454953-C03056--
2-Aminobenzoic acid2-Aminobenzoic acidME454971227C00108--
2-Aminophenol2-AminophenolME454950-C01987--
(2E,4E)-2,4-Hexadienoic acidSorbic acidME455061643460CA1411--
2-Hydroxypyridine2-HydroxypyridineME4549518871C02502--
2-Methylglutaric acid2-Methylglutaric acidME45495212046---
3-Hydroxycapric acid10-Hydroxydecanoic acidME45494926612C02774--
3-Methyladenine3-MethyladenineME4549561673C00913--
3-Methylglutaric acidMethylglutaric acidME454955-CA1192--
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME45495718189C02946--
4-Heptenal diethyl acetal4-Heptenal diethyl acetalME45499097750C04067--
4-Hydroxy-L-prolinecis-4-HydroxyprolineME45506869248C01015--
4-Trimethylammoniobutanoic acid3-DehydroxycarnitineME454985134C05543--
5-Aminolevulinic acid5-Amino-levulinic acidME454962137C00430--
5'-Deoxyadenosine5'-DeoxyadenosineME454960439182C05198--
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME4549631826C05635--
5-Hydroxylysine5-HydroxylysineME454991-C01211--
5'-Methylthioadenosine5'-MethylthioadenosineME454961439176C00170--
AdenineAdenineME454965190C00147--
AdenosineAdenosineME45496660961C00212--
Adipic acidAdipic acidME454967196C06104--
AllantoinAllantoinME454968204C01551--
Alpha-D-Galactose-1-phosphateGalactose 1-phosphateME454969----
Alpha-Tocopherolalpha-TocopherolME45497014985C02477--
Azelaic acidAzelaic acidME4549722266C08261--
Beta-Alaninebeta-AlanineME454973239C00099--
BetaineBetaineME454974247C00719--
BiotinBiotinME454975171548C00120--
ButanalButanalME454976261C01412--
Caproic acidCaproic acidME4550028892C01585--
CarnosineCarnosineME454977439224C00386--
CinnamaldehydeCinnamaldehydeME455069637511C00903--
Citramalic acidCitramalic acidME454978441696C00815--
CitrullineCitrullineME4549799750C00327--
CreatineCreatineME454980586C00300--
CreatinineCreatinineME454981588C00791--
Cyclic AMP3',5' cyclic AMPME4549546076C00575--
Cyclohexane-1,2-dioltrans-Cyclohexane-1,2-diolME455071-C03739--
Cytidine 2,3- cyclic monophosphate2',3' cyclic CMPME454982-C02354--
CytosineCytosineME454983597C00380--
DeoxycytidineDeoxycytidineME45498613711C00881--
DethiobiotinDethiobiotinME454987445027C01909--
DiacetylDiacetylME454988650C00741--
DiethanolamineDiethanolamineME4549898113C06772--
DihydrouracilDihydrouracilME454964649C00429--
Dimethyl-1,4-PhenylenediamineN,N-Dimethyl-1,4-phenylenediamineME455043-C04203--
D-MannoseMannoseME45503118950C00159--
EthanolamineEthanolamineME454993700C00189--
Gamma-Aminobutyric acidgamma-Aminobutyric acidME454958119C00334--
Gamma-Linolenic acidgamma-Linolenic acidME4549955280933C06426--
Glycerol 3-phosphatesn-Glycero-3-phosphateME455060439162C00093--
Glycerophosphocholinesn-Glycero-3-phosphocholineME45505971920C00670--
Glyceryl monoacetate-ME4549485283468---
GlycineGlycineME454996750C00037--
Glycolaldehyde dimerGlycolaldehyde dimerME454997-C00266--
Guanidoacetic acidGuanidoacetic acidME454998763C00581--
GuanineGuanineME454999764C00242--
GuanosineGuanosineME4550006802C00387--
Heptanoic acidHeptylic acidME4550018094C17714--
Hippuric acidHippuric acidME455003464C01586--
Homogentisic acidHomogentisic acidME455004780C00544--
HypoxanthineHypoxanthineME455006790C00262--
IndoleIndoleME455007798C00463--
IndolepyruvateIndolepyruvateME455009803C00331--
InosineInosineME4550106021C00294--
Kynurenic acidKynurenic acidME4549593845C01717--
L-AcetylcarnitineCAR 2:0ME4550481C02571--
L-AllothreonineAllothreonineME45501199289C05519--
L-ArginineArginineME4550126322C00062--
L-AsparagineAsparagineME4550136267C00152--
L-CarnitineCarnitineME4550142724480C00318--
L-Glutamic acidGlutamic acidME45501533032C00025--
L-GlutamineGlutamineME4550165961C00064--
L-HomoserineHomoserineME45500512647C00263--
LipoamideLipoamideME455029863C00248--
L-IsoleucineIsoleucineME4550176306C00407--
L-LeucineLeucineME4550286106C00123--
L-LysineLysineME4550185962C00047--
L-MethionineMethionineME4550196137C00073--
L(-)-NicotineNicotineME45494689594C00745--
L-NorleucineNorleucineME45504721236C01933--
L-PhenylalaninePhenylalanineME4550206140C00079--
L-ProlineProlineME455021145742C00148--
L-SerineSerineME4550225951C00065--
L-ThreonineThreonineME4550236288C00188--
L-TryptophanTryptophanME4550246305C00078--
L-TyrosineTyrosineME4550266057C00082--
LumichromeLumichromeME4550305326566C01727--
L-ValineValineME4550276287C00183--
MelatoninMelatoninME455032896C01598--
MethylguanidineMethylguanidineME45503410111C02294--
Methyl jasmonateMethyl jasmonateME4550335367719C11512--
Mono methyl glutaric acidMonomethyl glutaric acidME455035----
N6-(delta2-Isopentenyl)-adenineN6-IsopentenyladenineME45504492180C04083--
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME455037439174C00140--
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME45503974839C03519--
N-AcetylmannosamineN-Acetyl-mannosamineME45503811096158C00645--
N-AcetylneuraminateN-Acetylneuraminic acidME4550403568C00270--
N-AcetylputrescineN-AcetylputrescineME455041122356C02714--
N-AcetylserotoninN-AcetylserotoninME455042903C00978--
NiacinamideNiacinamideME455046936C00153--
N-MethyltryptamineN-MethyltryptamineME4550366088C06213--
N,N,N-TrumethyllysineN-6-TrimethyllysineME455045-C03793--
Pantothenic acidPantothenic acidME454984988C00864--
ParaxanthineParaxanthineME4550494687C13747--
Pipecolic acidPipecolic acidME455050849C00408--
PropanalPropanalME455051527C00479--
PterinPterinME45505273000C00715--
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME45505312473C05942--
RiboflavinRiboflavinME455055493570C00255--
SalicylamideSalicylamideME4550565147CA1193--
SalicylateSalicylic acidME455057-C00805--
SarcosineSarcosineME4550581088C00213--
Succinic acidSuccinic acidME4550621110C00042--
TaurineTaurineME4550631123C00245--
TheobromineTheobromineME4550645429C07480--
TheophyllineTheophyllineME4550652153C07130--
ThymidineThymidineME4550665789C00214--
ThymineThymineME4550671135C00178--
trans-Cinnamic acidtrans-Cinnamic acidME455070444539C00423--
trans-Ferulic acidtrans-Ferulic acidME454994445858C01494--
TrigonellineTrigonellineME4550725570C01004--
TrimethylamineTrimethylamineME4550731146C00565--
TryptophanamideTryptophanamideME45502589366C00977--
TryptophanolTryptophanolME45500810685C00955--
UracilUracilME4550741174C00106--
UridineUridineME4550756029C00299--
Uridine diphosphate-N-acetylgalactosamineUDP-N-acetylgalactosamineME4550761167C00203--
Urocanic acidUrocanic acidME455077736715C00785--


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME45518779034C08317--
1-Hydroxy-2-naphthoate1-Hydroxy-2-naphthoateME45507954675865C03203--
2,4-dihydroxypyrimidine-5-carboxylic acidUracil-5-carboxylic acidME455090-C03030--
2,5-dihydroxybenzoateGentisic acidME455091-C00628--
2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxyp...2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridineME455089440598C03212--
2-Aminophenol2-AminophenolME455082-C01987--
2-Deoxy-D-Glucose2-Deoxy-glucoseME45508382756C00586--
2-Methylglutaric acid2-Methylglutaric acidME45508512046---
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME455093873C01198--
3,4-Dihydroxybenzeneacetic acid3,4-Dihydroxybenzeneacetic acidME455107547C01161--
3-Amino-4-hydroxybenzoic acid3-Amino-4-hydroxybenzoic acidME455094-C12115--
3-Amino-5-hydroxybenzoic acid3-Amino-5-hydroxybenzoic acidME455095-C12107--
3-Aminoisobutanoic acid3-Aminoisobutanoic acidME45509664956C05145--
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME45509886C00632--
3-hydroxybenzaldehyde3-HydroxybenzaldehydeME455099-C03067--
3-Hydroxybenzoic acid3-Hydroxybenzoic acidME4551007420C00587--
3-Hydroxycapric acid10-Hydroxydecanoic acidME45508026612C02774--
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME4550971662C03761--
3-hydroxyphenylacetate3-Hydroxyphenylacetic acidME455101-C05593--
3-methyglutaric acidMethylglutaric acidME455102-CA1192--
3-Methyladenine3-MethyladenineME4551041673C00913--
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME45510818189C02946--
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME455109126C00633--
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME455110135C00156--
5'-Deoxyadenosine5'-DeoxyadenosineME455113439182C05198--
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME4551141826C05635--
6-deoxy-l-galactoseD-FucoseME455116----
Acetoacetic acidAcetoacetic acidME45511796C00164--
AdenineAdenineME455118190C00147--
AdenosineAdenosineME45511960961C00212--
Adipic acidAdipic acidME455120196C06104--
alloseAlloseME455121----
Alpha-D-GlucoseGlucoseME45512279025C00267--
arabinoseArabinoseME455123----
Azelaic acidAzelaic acidME4551242266C08261--
Benzoic acidBenzoic acidME455125243C00180--
Benzyl alcoholBenzyl alcoholME455126244C00556--
Butyric acidButyric acidME455127264C00246--
Caffeic acidCaffeic acidME4551281549111C01481--
Caproic acidCaproic acidME4551498892C01585--
Caprylic acidCaprylic acidME455129379C06423--
cellobioseCellobioseME455134----
Cholic acidCholic acidME455131221493C00695--
Citraconic acidCitraconic acidME455086643798C02226--
CitrullineCitrullineME4551329750C00327--
Cyclic AMP3',5' cyclic AMPME4550926076C00575--
Cyclohecane-1,2-Dioltrans-Cyclohexane-1,2-diolME455208-C03739--
cytidine 2,3-cyclic monophosphate2',3' cyclic CMPME455133-C02354--
DeoxycytidineDeoxycytidineME45514313711C00881--
DeoxyguanosineDeoxyguanosineME455081187790C00330--
Dihydroxyacetone phosphateDihydroxyacetone phosphateME455144668C00111--
D-LyxoseLyxoseME4551373759C00476--
D-MannoseMannoseME45517518950C00159--
Ethylmalonic acidEthylmalonic acidME45514511756C02170--
fructoseFructoseME455135----
GalactitolGalactitolME45514611850C01697--
galactoseGalactoseME455136----
Glycerol 3-phosphatesn-Glycero-3-phosphateME455147439162C00093--
GuanineGuanineME455148764C00242--
Hippuric acidHippuric acidME455150464C01586--
Homogentisic acidHomogentisic acidME455151780C00544--
Homovanillic acidHomovanillic acidME4551531738C05582--
HydroquinoneHydroquinoneME455154785C00530--
HypotaurineHypotaurineME455155107812C00519--
Imidazoleacetic acidImidazoleacetic acidME45511296215C02835--
Indoleacetic acidIndoleacetic acidME455156802C00954--
Indoxyl sulfateIndoxyl sulfateME45515810258---
InosineInosineME4551596021C00294--
Isobutyric acidIsobutyric acidME4550876590C02632--
Itaconic acidItaconic acidME455160811C00490--
KetoleucineKetoleucineME45510370C00233--
L-AllothreonineAllothreonineME45516199289C05519--
L-ArabitolL-ArabitolME455162439255C00532--
L-ArginineArginineME4551636322C00062--
L-AsparagineAsparagineME4551646267C00152--
L-Glutamic acidGlutamic acidME45516533032C00025--
L-GlutamineGlutamineME4551665961C00064--
L-HomoserineHomoserineME45515212647C00263--
LithocholyltaurineTaurolithocholic acidME45520253477716C02592--
L-Lactic acidLactic acidME45507861503C00256--
L-SerineSerineME4551675951C00065--
L-ThreonineThreonineME4551696288C00188--
L-TyrosineTyrosineME4551706057C00082--
LumichromeLumichromeME4551725326566C01727--
L-ValineValineME4551716287C00183--
Mandelic acidMandelic acidME455173439616C01984--
MannitolMannitolME4551746251C00392--
Methyl beta-D-glucopyranosideMethyl glucoseME4551762108C03619--
Methyl jasmonateMethyl jasmonateME4551775367719C11512--
Methylmalonic acidMethylmalonic acidME455178487C02170--
Mono-methyl glutaric acidMonomethyl glutaric acidME455179----
myo-InositolMyo-inositolME455180892C00137--
N6-(delta2-Isopentenyl)-adenineN6-IsopentenyladenineME45518592180C04083--
N-AcetylgalactosamineN-Acetyl-D-galactosamineME45518184265C01074--
N-AcetylleucineN-AcetylleucineME45518370912C02710--
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME45518474839C03519--
N-AcetylmannosamineN-Acetyl-mannosamineME45518211096158C00645--
OrnithineOrnithineME4551386262C00077--
Orotic acidOrotic acidME455188967C00295--
Ortho-Hydroxyphenylacetic acid-ME45508411970C05852--
Oxoadipic acidOxoadipic acidME45508871C00322--
PalatinosePalatinoseME455189----
PantolactonePantolactoneME455190-C01012--
Pantothenic acidPantothenic acidME455139988C00864--
Pelargonic acidPelargonic acidME4551868158C01601--
Phenylacetic acidPhenylacetic acidME455191999C07086--
p-Hydroxyphenylacetic acid4-Hydroxyphenylacetic acidME455111127C00642--
Pimelic acidPimelic acidME455115385C02656--
Protocatechuic acidProtocatechuic acidME45510672C00230--
PterinPterinME45519273000C00715--
PyrocatecholPyrocatecholME455130289C00090--
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME45519312473C05942--
RibitolRibitolME4551946912C00474--
RiboflavinRiboflavinME455195493570C00255--
riboseRiboseME455140----
SalicylateSalicylic acidME455196-C00805--
SarcosineSarcosineME4551971088C00213--
sorbitolSorbitolME455141----
SorboseSorboseME455168----
Suberic acidSuberic acidME45519810457C08278--
Succinic acidSuccinic acidME4551991110C00042--
SucroseSucroseME4552005988C00089--
tagatoseD-TagatoseME455142----
TaurineTaurineME4552011123C00245--
TheophyllineTheophyllineME4552032153C07130--
ThymidineThymidineME4552045789C00214--
ThymineThymineME4552051135C00178--
trans-Aconitic acidtrans-Aconitic acidME455206444212C02341--
trans-Cinnamic acidtrans-Cinnamic acidME455207444539C00423--
TryptophanolTryptophanolME45515710685C00955--
UracilUracilME4552091174C00106--
Ureidopropionic acidUreidopropionic acidME455105111C02642--
Uric acidUric acidME4552101175C00366--
Uridine diphosphategalactoseUridine diphosphategalactoseME45521318068C00052--
Uridine diphosphate glucoseUDP-glucoseME45521453477679C00029--
Uridine diphosphate-N-acetylgalactosamineUDP-N-acetylgalactosamineME4552111167C00203--
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME455212-C00043--
Urocanic acidUrocanic acidME455215736715C00785--
XanthineXanthineME4552161188C00385--
XanthosineXanthosineME45521764959C01762--
XylitolXylitolME455218----


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