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Analysis: CE POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Diaminopropane1,3-DiaminopropaneME590970-C00986--
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME590964-C03969--
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME590965-C01234--
1-Methyl-2-pyrrolidinoneN-Methylpyrrolidin-2-oneME590966-C11118--
1-Methyladenosine1-MethyladenosineME590967-C02494--
1-Methylhistamine1-MethylhistamineME590968-C05127--
1-Methylnicotinamide1-Methyl nicotinamideME590969-C02918--
2,3-Diaminopropionate2,3-Diaminopropionic acidME590971-C06393--
2,4-Diaminobutyrate2,4-Diaminobutyric acidME590972-C03283--
2,4-Dimethylaniline2,4-DimethylanilineME590973-C11003--
2AB2S-Aminobutyric acidME590974-C02356--
2-Aminobenzimidazole-ME590975-C10901--
2-Aminophenol2-AminophenolME590976-C01987--
2'-DeoxycytidineDeoxycytidineME590977-C00881--
2'-DeoxyguanosineDeoxyguanosineME590978-C00330--
2'-DeoxyinosineDeoxyinosineME590979-C05512--
2-Deoxystreptamine2-DeoxystreptamineME590980-C02627--
2-Guanidinobenzimidazole2-GuanidinobenzimidazoleME590981-C10898--
3,3',5-TriiodothyronineLiothyronineME590982-C02465--
3,5-Diiodo-tyrosine3,5-Diiodo-L-tyrosineME590983-C01060--
3-Aminoisobutyrate3-Aminoisobutanoic acidME590984-C05145--
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME590985-C06057--
3-Aminopropionitrile-ME590986-C05670--
3-Chloroalanine-ME590987-C02635--
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME590988-C00632--
3-HydroxykynurenineHydroxykynurenineME590989-C02794--
3-IodotyrosineIodotyrosineME590990-C02515--
3-Methoxytyramine3-MethoxytyramineME590991-C05587--
3-Methyladenine3-MethyladenineME590992-C00913--
3-Methylguanine3-MethylguanineME590993-C02230--
3-Methylhistidine3-MethylhistidineME590994-C01152--
4-Amino-3-hydroxybutyrate-ME590996-C03678--
4-AminosalicylateAminosalicylic acidME590997-C02518--
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME590995-C05135--
4-HydroxymethylimidazoleImidazole-4-methanolME590998-C05562--
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME590999-C04294--
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME591000-C03114--
5-Aminolevulinate5-Amino-levulinic acidME591001-C00430--
5-Aminovalerate5-Aminopentanoic acidME591002-C00431--
5'-Deoxyadenosine5'-DeoxyadenosineME591003-C05198--
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME591004-C05635--
5-Hydroxylysine5-HydroxylysineME591005-C16741--
5-Hydroxytryptophan5-Hydroxy-tryptophanME591006-C00643--
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME591007-C05660--
5-Methoxytryptamine5-MethoxytryptamineME591008-C05659--
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME591009-C03592--
5-Methylcytosine5-MethylcytosineME591010-C02376--
5-Methyltetrahydrofolate5-Methyltetrahydrofolic acidME591011-C00440--
5-Methylthioadenosine5'-MethylthioadenosineME591012-C00170--
5-OxoprolinePyroglutamic acidME591013-C01879--
6-AminohexanoateAminocaproic acidME591014-C02378--
6-Hydroxynicotinate6-Hydroxynicotinic acidME591015-C01020--
6-Methylaminopurine-ME591016-C08434--
7,8-Dihydrobiopterin-ME591017-C02953--
7,8-Dihydroneopterin7,8-DihydroneopterinME591018-C04874--
7-Methylguanine7-MethylguanineME591019-C02242--
AcetylcholineAcetylcholineME590753-C01996--
AdenineAdenineME590754-C00147--
AdenosineAdenosineME590755-C00212--
ADMADimethylarginineME590756-C03626--
AgmatineAgmatineME590757-C00179--
AICARAICARME590758-C04677--
AlaAlanineME590759-C00041--
Ala-AlaAla-AlaME590760-C00993--
AllantoinAllantoinME590761-C01551--
AlliinAlliinME590762-C08265--
alpha-AminoadipateAminoadipic acidME590763-C00956--
alpha-Methylbenzylamine-ME590764-C02455--
Alpha-MethylserineAlpha-MethylserineME590765-C02115--
AmantadineLoratadineME590766-C06818--
AnilineAnilineME590767-C00292--
AnserineAnserineME590768-C01262--
Anthranilate2-Aminobenzoic acidME590769-C00108--
ArgArginineME590770-C00062--
Arginine ethyl esterEthyl arginateME590771-C01404--
ArgininosuccinateArgininosuccinic acidME590772-C03406--
AsnAsparagineME590773-C00152--
AspAspartic acidME590774-C00049--
BenzamideBenzamideME590775-C09815--
BenzamidineBenzamidineME590776-C01784--
Benzimidazole1H-BenzimidazoleME590777-C02009--
beta-Alabeta-AlanineME590778-C00099--
beta-Ala-Lys-ME590779-C05341--
beta-CyanoalanineCyanoalanineME590780-C02512--
beta-ImidazolelactateImidazolelactic acidME590781-C05568--
BetaineBetaineME590782-C00719--
Betaine aldehydeBetaineME590783-C00576--
beta-Leucinebeta-LeucineME590784-C02486--
BetonicineBetonicineME590785-C08269--
Bis(3-aminopropyl)amineNorspermidineME590786-C03375--
CadaverineCadaverineME590787-C01672--
CanavanineCanavanineME590788-C00308--
CarnitineCarnitineME590789-C00318--
CarnosineCarnosineME590790-C00386--
CastanospermineCastanospermineME590791-C02256--
CholineCholineME590792-C00114--
CitrullineCitrullineME590793-C00327--
CreatineCreatineME590794-C00300--
CreatinineCreatinineME590795-C00791--
CyanocobalaminCyanocobalaminME590796-C02823--
CyclohexylamineCyclohexylamineME590797-C00571--
CysCysteineME590798-C00097--
Cys-GlyCys-GlyME590799-C01419--
CystathionineCystathionineME590800-C02291--
CysteamineCysteamineME590801-C01678--
CystineCystineME590802-C00491--
CytidineCytidineME590803-C00475--
CytosineCytosineME590804-C00380--
DesthiobiotinDethiobiotinME590805-C01909--
DiethanolamineDiethanolamineME590806-C06772--
DihydrouracilDihydrouracilME590807-C00429--
DOPADOPAME590808-C00355--
DopamineDopamineME590809-C03758--
EctoineEctoineME590810-C06231--
EpinephrineEpinephrineME590811-C00788--
Ethanolamine phosphatePhosphoethanolamineME590812-C00346--
GABAgamma-Aminobutyric acidME590813-C00334--
gamma-Butyrobetaine3-DehydroxycarnitineME590814-C01181--
gamma-Glu-cysgamma-GlutamylcysteineME590815-C00669--
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME590816-C01035--
GlnGlutamineME590817-C00064--
GluGlutamic acidME590818-C00025--
GlucosaminateGlucosaminic acidME590819-C03752--
GlucosamineGlucosamineME590820-C00329--
Glu-GluGlu-GluME590821-C01425--
Glutathione(ox)Oxidized glutathioneME590822-C00127--
Glutathione(red)GlutathioneME590823-C00051--
GlyGlycineME590824-C00037--
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME590825-C00670--
Gly-GlyGly-GlyME590826-C02037--
Gly-LeuGly-LeuME590827-C02155--
Gramine-ME590828-C08304--
GuanidinoacetateGuanidoacetic acidME590829-C00581--
GuanidinosuccinateGuanidinosuccinic acidME590830-C03139--
GuanineGuanineME590831-C00242--
GuanosineGuanosineME590832-C00387--
HarmanHarmanME590833-C09209--
HexylamineHexylamineME590834-C08306--
HisHistidineME590835-C00135--
HistamineHistamineME590836-C00388--
HistidinolL-HistidinolME590837-C00860--
HomocarnosineHomocarnosineME590838-C00884--
HomocysteineHomocysteineME590839-C00155--
HomocystineDL-HomocystineME590840-C01817--
HomoserineHomoserineME590841-C00263--
HydroxyprolineHydroxyprolineME590842-C01015--
HydroxyureaHydroxyureaME590843-C07044--
HypotaurineHypotaurineME590844-C00519--
HypoxanthineHypoxanthineME590845-C00262--
Ibotenate-ME590846-C10600--
IleIsoleucineME590847-C00407--
Imidazole-4-acetateImidazoleacetic acidME590848-C02835--
Indole-3-acetaldehydeIndoleacetaldehydeME590849-C00637--
Indole-3-acetamide1H-Indole-3-acetamideME590850-C02693--
Indole-3-acetateIndoleacetic acidME590851-C00954--
Indole-3-ethanolTryptophanolME590852-C00955--
InosineInosineME590853-C00294--
Isoamylamine3-Methyl-1-butylamineME590854-C02640--
Isobutylamine-ME590855-C02787--
Isonicotinamide-ME590856-C02421--
IsopropanolamineIsopropanolamineME590857-C05771--
KynurenineKynurenineME590858-C00328--
LeuLeucineME590859-C00123--
Leu-Leu-TyrLeu-Leu-TyrME590860-C11331--
LysLysineME590861-C00047--
LysinamideLysinamideME590862-C01930--
Mannosamine2-Amino-2-deoxy-D-mannoseME590863-C03570--
MelamineMelamineME590864-C08737--
MelatoninMelatoninME590865-C01598--
MetMethionineME590866-C00073--
MetforminMetforminME590867-C07151--
Methionine sulfoxideMethionine sulfoxideME590868-C02989--
Methionine sulfoximineMethionine sulfoximineME590869-C03510--
MethylguanidineMethylguanidineME590870-C02294--
MuramateMuramic acidME590871-C06470--
MuscimolMuscimolME590872-C08311--
N1-AcetylspermidineN1-AcetylspermidineME590875-C00612--
N1-AcetylspermineN1-AcetylspermineME590876-C02567--
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME590874-C03413--
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME590878-C03795--
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME590877-C03793--
N8-AcetylspermidineN8-AcetylspermidineME590879-C01029--
N-AcetylglucosamineN-Acetyl-D-glucosamineME590880-C00140--
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME590881-C01239--
N-AcetylhistidineN-AcetylhistidineME590882-C02997--
N-AcetylornithineN-AcetylornithineME590883-C00437--
N-AcetylputrescineN-AcetylputrescineME590884-C02714--
N-alpha-Benzenolarginine ethylesterBz-Arg-OEtME590886-C01670--
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME590885-C04259--
N-epsilon-AcetyllysineN6-AcetyllysineME590887-C02727--
N-gamma-EthylglutamineN(5)-Ethyl-glutamineME590888-C01047--
NicotinamideNiacinamideME590889-C00153--
NicotineNicotineME590890-C00745--
N-MethylalanineN-MethylalanineME590891-C02721--
N-MethylanilineN-MethylanilineME590892-C02299--
N-MethylglutamateN-Methyl-glutamic acidME590893-C01046--
NMNNicotinamide ribotideME590894-C00455--
N,N-DimethylglycineDimethylglycineME590873-C01026--
N-omega-MethyltryptamineN-MethyltryptamineME590895-C06213--
NoradrenalineXi-NorepinephrineME590896-C00547--
NornicotineNornicotineME590897-C06524--
o-AcetylcarnitineCAR 2:0ME590898-C02571--
O-AcetylserineO-AcetylserineME590899-C00979--
OctopineOctopineME590900-C04137--
OctylamineOctylamineME590901-C01740--
OrnithineOrnithineME590902-C00077--
o-Succinylhomoserineo-SuccinylhomoserineME590903-C01118--
p-AminobenzoateP-Aminobenzoic acidME590904-C00568--
PhePhenylalanineME590905-C00079--
PhenethylaminePhenylethylamineME590906-C05332--
Phenylethanolamine2-HydroxyphenethylamineME590907-C02735--
PhosphorylcholineCholine phosphateME590908-C00588--
PicolinamidePicolinamideME590909-C01950--
PipecolatePipecolic acidME590910-C00408--
ProProlineME590911-C00148--
Proline betaineProline betaineME590912-C10172--
Pseudopelletierinepsi-PelletierineME590913-C10865--
PterinPterinME590914-C00715--
PurinePurineME590915-C15587--
Purine ribosideNebularineME590916-C01736--
Putrescine(1,4-Butanediamine)PutrescineME590917-C00134--
Pyrazole1H-pyrazoleME590918-C00481--
PyridoxalPyridoxalME590919-C00250--
PyridoxaminePyridoxamineME590920-C00534--
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME590921-C00647--
PyridoxinePyridoxineME590922-C00314--
RiboflavinRiboflavinME590923-C00255--
SaccharopineSaccharopineME590924-C00449--
SAHS-AdenosylhomocysteineME590925-C00021--
SAM+S-AdenosylmethionineME590926-C00019--
SarcosineSarcosineME590927-C00213--
SepiapterinSepiapterinME590928-C00835--
SerSerineME590929-C00065--
SerotoninSerotoninME590930-C00780--
S-LactoylglutathioneS-LactoylglutathioneME590931-C03451--
S-MethylmethionineS-MethylmethionineME590932-C03172--
SpermidineSpermidineME590933-C00315--
SpermineSpermineME590934-C00750--
SynephrineSynephrineME590935-C04548--
TaurineTaurineME590936-C00245--
TaurocyamineTaurocyamineME590937-C01959--
TetrahydropalmatineTetrahydropalmatineME590938-C02890--
ThiamineThiamineME590939-C00378--
Thiamine monophosphateThiamine monophosphateME590940-C01081--
ThrThreonineME590941-C00188--
ThymidineThymidineME590942-C00214--
ThymineThymineME590943-C00178--
trans-Zeatintrans-ZeatinME590944-C00371--
TRHThyrotropin releasing hormoneME590945-C03958--
TrientineTrientineME590946-C07166--
TrigonellineTrigonellineME590947-C01004--
TrimethylamineTrimethylamineME590948-C00565--
Trimethylamine N-oxideTrimethylamine N-oxideME590949-C01104--
TrimethylsulfoniumTrimethyl sulfoniumME590950-C01008--
TropinePseudotropineME590951-C00729--
TropinoneTropinoneME590952-C00783--
TrpTryptophanME590953-C00078--
TryptamineTryptamineME590954-C00398--
TyrTyrosineME590955-C00082--
TyramineTyramineME590956-C00483--
UracilUracilME590957-C00106--
UreaUreaME590958-C00086--
UridineUridineME590959-C00299--
UrocanateUrocanic acidME590960-C00785--
ValValineME590961-C00183--
XanthineXanthineME590962-C00385--
XanthosineXanthosineME590963-C01762--


Analysis: CE NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Hydroxydecanoate10-Hydroxydecanoic acidME591265-C02774--
1-Aminoethylphosphonate-ME591214-C03782--
2',3'-cCMP2',3' cyclic CMPME591215-C02354--
2,3-DPG2,3-Diphosphoglyceric acidME591216-C01159--
2,3-PyridinedicarboxylateQuinolinic acidME591217-C03722--
2,4-Dihydroxypyrimidine-5-carboxylateUracil-5-carboxylic acidME591218-C03030--
2,5-DihydroxybenzoateGentisic acidME591219-C00628--
2-Amino-3-phosphonopropionate-ME591220-C05672--
2-AminoethylphosphonateCiliatineME591221-C03557--
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME591222-C06369--
2-Deoxyribose 1-phosphateDeoxyribose 1-phosphateME591223-C00672--
2-Furoate2-Furoic acidME591224-C01546--
2-Hydroxy-4-methylpentanoateD-Leucic acidME591225-C03264--
2-Hydroxybutyrate2-Hydroxybutyric acidME591226-C05984--
2-Hydroxyglutarate2-Hydroxyglutaric acidME591227-C02630--
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME591228----
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME591229----
2-Hydroxypentanoate2-Hydroxyvaleric acidME591230----
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME591231-C05852--
2-Isopropylmalate2-Isopropylmalic acidME591232-C02504--
2-OxoadipateOxoadipic acidME591233-C00322--
2-Oxobutyrate3-Methyl pyruvic acidME591234-C00109--
2-OxoglutarateOxoglutaric acidME591235-C00026--
2-OxoisopentanoateKetoisovaleric acidME591236-C00141--
2-Oxooctanoate-ME591237----
2PG2-Phosphoglyceric acidME591238-C00631--
2-QuinolinecarboxylateQuinaldic acidME591239-C06325--
2-Thiopheneacetate2-Thienylacetic acidME591240-C02595--
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME591241-C01198--
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME591242-C01744--
3',5'-Cyclic dAMP-ME591243-C00968--
3'-AMP3'-AMPME591244-C01367--
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME591245-C03761--
3-Hydroxybutyrate3-Hydroxybutyric acidME591246-C01089--
3-HydroxypropionateHydroxypropionic acidME591247-C01013--
3-Indolebutyrate3-Indolebutyric acidME591248-C11284--
3-Indoxyl sulfateIndoxyl sulfateME591249----
3-MethylbutanoateIsovaleric acidME591250-C08262--
3PG3-Phosphoglyceric acidME591251-C00197--
3-PhenyllactatePhenyllactic acidME591252-C05607--
3-PhenylpropionateHydrocinnamic acidME591253-C05629--
3-UreidopropionateUreidopropionic acidME591254-C02642--
4-Acetylbutyrate5-Ketocaproic acidME591255-C02129--
4-Hydroxy-3-methoxymandelateVanillylmandelic acidME591256-C05584--
4-Hydroxymandelate4-Hydroxymandelic acidME591257-C11527--
4-Methyl-2-oxopentanoateKetoleucineME591258-C00233--
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME591259-C01180--
4-Oxohexanoate-ME591260----
4-OxopentanoateLevulinic acidME591261----
4-Pyridoxate4-Pyridoxic acidME591262-C00847--
6-Hydroxyhexanoate6-Hydroxycaproic acidME591263-C06103--
6-Phosphogluconate6-Phosphogluconic acidME591264-C00345--
Acetyl CoAAcetyl-CoAME591020-C00024--
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME591021-C00054--
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME591022-C00224--
AdenylosuccinateAdenylsuccinic acidME591023-C03794--
AdipateAdipic acidME591024-C06104--
ADPAdenosineME591025-C00008--
ADP-glucoseADP-glucoseME591026-C00498--
ADP-riboseADP-riboseME591027-C00301--
AllantoateAllantoic acidME591028-C00499--
AMPAMPME591029-C00020--
ATPATPME591030-C00002--
AzelateAzelaic acidME591031-C08261--
BarbiturateBarbituric acidME591032-C00813--
BenzoateBenzoic acidME591033-C00180--
BenzoylformatePhenylglyoxylic acidME591034-C02137--
Benzylsuccinate(R)-2-Benzylsuccinic acidME591035-C09816--
BiotinBiotinME591036-C00120--
ButyrateButyric acidME591037-C00246--
cAMP3',5' cyclic AMPME591038-C00575--
CarbamoylaspartateCarbamoylaspartateME591039-C00438--
CarbamoylphosphateCarbamoylphosphateME591040-C00169--
CDPCDPME591041-C00112--
CDP-cholineCytidine 5'-diphosphocholineME591042-C00307--
cGMP3',5' cyclic GMPME591043-C00942--
CholateCholic acidME591044-C00695--
cIMP-ME591045-C00943--
cis-Aconitatecis-Aconitic acidME591046-C00417--
CitraconateCitraconic acidME591047-C02226--
CitramalateCitramalic acidME591048-C02614--
CitrateCitric acidME591049-C00158--
CMPCMPME591050-C00055--
CMP-N-acetylneuraminateCMP-Sialic acidME591051-C00128--
CoACoenzyme AME591052-C00010--
CrotonateCrotonic acidME591053-C01771--
CTPCTPME591054-C00063--
CysteateCysteic acidME591055-C00506--
Cysteine-glutathione disulphide-ME591058----
Cysteine S-sulfateCysteine-S-sulfateME591056-C05824--
Cysteine sulfinate3-Sulfino-alanineME591057-C00606--
dADPdADPME591059-C00206--
dAMPdAMPME591060-C00360--
dATPdATPME591061-C00131--
DCADeoxycholic acidME591062-C04483--
dCDPdCDPME591063-C00705--
dCMPdCMPME591064-C00239--
dCTPdCTPME591065-C00458--
Deamido-NAD+Nicotinic acid adenine dinucleotideME591066-C00857--
DecanoateCapric acidME591067-C01571--
dGTPdGTPME591068-C00286--
DHAPDihydroxyacetone phosphateME591069-C00111--
DigalacturonateDigalacturonic acidME591070-C02273--
Dihydroorotate4,5-Dihydroorotic acidME591071-C00337--
dITPdITPME591072-C01345--
DodecanedioateDodecanedioic acidME591073-C02678--
DodecanoateLauric acidME591074-C02679--
dTDPdTDPME591075-C00363--
dTMPdTMPME591076-C00364--
dTTPdTTPME591077-C00459--
dUDPdUDPME591078-C01346--
dUMPdUMPME591079-C00365--
dUTPdUTPME591080-C00460--
F1,6PFructose 1,6-bisphosphateME591081-C00354--
F6PFructose 6-phosphateME591082-C00085--
FADFADME591083-C00016--
FolateFolic acidME591084-C00504--
FumarateFumaric acidME591085-C00122--
G1PGlucose 1-phosphateME591086-C00103--
G3PGlyceraldehyde 3-phosphateME591087-C00661--
G6PGlucose 6-phosphateME591088-C00092--
Galacturonate 1-phosphate-ME591089-C04037--
gamma-Glu-2ABgamma-Glutamyl-2-aminobutanoateME591090----
GDPGDPME591091-C00035--
GDP-mannoseGDP-mannoseME591092-C00096--
GluconateGluconic acidME591093-C00257--
Glucosamine 6-phosphateGlucosamine 6-phosphateME591094-C00352--
GlucuronateGlucuronic acidME591095-C00191--
GlutarateGlutaric acidME591096-C00489--
GlycerateGlyceric acidME591097-C00258--
Glycerophosphatesn-Glycero-3-phosphateME591098-C00093--
GlycocholateGlycocholic acidME591099-C01921--
GlycolateGlycolic acidME591100-C00160--
GlyoxylateGlyoxylic acidME591101-C00048--
GMPGMPME591102-C00144--
GTPGTPME591103-C00044--
HeptanoateHeptylic acidME591104-C17714--
HexanoateCaproic acidME591105-C01585--
HippurateHippuric acidME591106-C01586--
HomovanillateHomovanillic acidME591107-C05582--
IDPIDPME591108-C00104--
IMPIMPME591109-C00130--
IndolelactateIndolelactic acidME591110-C02043--
Isethionate2-HydroxyethanesulfonateME591111-C05123--
Isobutyryl CoAIsobutyryl-CoAME591112-C00630--
IsocitrateIsocitric acidME591113-C00311--
ItaconateItaconic acidME591114-C00490--
ITPITPME591115-C00081--
LactateLactic acidME591116-C00186--
MalateD-Malic acidME591117-C00711--
MalonateMalonic acidME591118-C00383--
Malonyl CoAMalonyl-CoAME591119-C00083--
MethanesulfonateMethanesulfonic acidME591120-C11145--
Methyl sulfateMethyl sulfateME591121-C02704--
(Methylthio)acetate(Methylthio)acetic acidME591122-C03173--
m-Hydroxybenzoate3-Hydroxybenzoic acidME591123-C00587--
MucateGalactaric acidME591124-C00879--
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME591125----
N-AcetylaspartateN-Acetylaspartic acidME591126-C01042--
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME591127-C01073--
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME591128-C04501--
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME591129-C00357--
N-AcetylglutamateN-Acetylglutamic acidME591130-C00624--
N-AcetylleucineN-AcetylleucineME591131-C02710--
N-AcetylmethionineN-AcetylmethionineME591132-C02712--
N-AcetylmuramateN-Acetylmuramic acidME591133-C02713--
N-AcetylneuraminateN-Acetylneuraminic acidME591134-C00270--
N-AcetylphenylalanineN-AcetylphenylalanineME591135-C03519--
N-AcetylvalineN-AcetylvalineME591136----
NAD+NAD+ME591137-C00003--
NADHNADHME591138-C00004--
NADP+NADP+ME591139-C00006--
NADPHNADPHME591140-C00005--
n-Butyl a-Picolinate-ME591141----
N-CarbamylglutamateCarglumic acidME591142-C05829--
N-FormylaspartateN-Formyl-aspartic acidME591143-C01044--
N-FormylmethionineN-FormylmethionineME591144-C03145--
NicotinateNicotinic acidME591145-C00253--
o-Coumaratetrans-o-Coumaric acidME591146-C01772--
OctanoateCaprylic acidME591147-C06423--
o-HydroxybenzoateSalicylic acidME591148-C00805--
o-HydroxyhippurateSalicyluric acidME591149-C07588--
O-PhosphoserineDL-O-PhosphoserineME591150-C01005--
OphthalmateOphthalmic acidME591151----
OrotateOrotic acidME591152-C00295--
Orotidine 5'-monophosphateOrotidylic acidME591153-C01103--
P1, P4-Di(adenosine-5') tetraphosphate-ME591154-C01260--
PantothenatePantothenic acidME591155-C00864--
p-Coumaratecis-p-Coumaric acidME591156-C00811--
PelargonatePelargonic acidME591157-C01601--
PentanoateValeric acidME591158-C00803--
PEPPhosphoenolpyruvic acidME591159-C00074--
PhenaceturatePhenylacetylglycineME591160-C05598--
Phenyl phosphatePhenyl phosphateME591161-C02734--
PhenylpyruvatePhenylpyruvic acidME591162-C00166--
Phe-PhePhe-PheME591163----
PhosphonoacetatePhosphonoacetateME591164-C05682--
PhthalatePhthalic acidME591165-C01606--
p-Hydroxybenzoate4-Hydroxybenzoic acidME591166-C00156--
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME591167-C00642--
PimelatePimelic acidME591168-C02656--
PorphobilinogenPorphobilinogenME591169-C00931--
PropionatePropionic acidME591170-C00163--
Prostaglandin E2PGE2ME591171-C00584--
Prostaglandin F2alphaPGF2alphaME591172-C00639--
PRPPPhosphoribosyl pyrophosphateME591173-C00119--
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME591174-C05942--
PyruvatePyruvic acidME591175-C00022--
QuinateQuinic acidME591176-C00296--
R5PRibose 5-phosphateME591177-C00117--
Ribulose 1,5-diphosphateRibulose 1,5-bisphosphateME591178-C01182--
Ru5PRibulose 5-phosphateME591179-C00199--
S7PSedoheptulose 7-phosphateME591180-C05382--
SaccharateGlucaric acidME591181-C00818--
SDMASymmetric dimethylarginineME591182----
SebacateSebacic acidME591183-C08277--
Serine O-sulfateSerine-O-sulfateME591184-C02703--
ShikimateShikimic acidME591185-C00493--
SinapateSinapic acidME591186-C00482--
Sorbitol 6-phosphatePseudouridineME591187-C01096--
SuccinateSuccinic acidME591188-C00042--
Succinyl CoASuccinyl-CoAME591189-C00091--
SyringateSyringic acidME591190-C10833--
TartrateTartaric acidME591191-C00898--
TaurocholateTaurocholic acidME591192-C05122--
TDP-glucosedTDP-glucoseME591193-C00842--
TerephthalateTerephthalic acidME591194-C06337--
threo-beta-methylaspartate-ME591195-C03618--
ThreonateThreonic acidME591196-C01620--
TiglateTiglic acidME591197-C08279--
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME591198-C01494--
trans-Aconitatetrans-Aconitic acidME591199-C02341--
trans-Cinnamatetrans-Cinnamic acidME591200-C00423--
Trehalose 6-phosphateTrehalose 6-phosphateME591201-C00689--
UDPUDPME591202-C00015--
UDP-glucoseUDP-glucoseME591203-C00029--
UDP-glucuronateUDP-glucuronic acidME591204-C00167--
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME591205-C00043--
UMPUMPME591206-C00105--
UndecanoateUndecylic acidME591207-C17715--
UrateUric acidME591208-C00366--
UTPUTPME591209-C00075--
XanthopterinXanthopterinME591210----
XanthurenateXanthurenic acidME591211-C02470--
XMPXMPME591212-C00655--
XTPXanthosine 5-triphosphateME591213-C00700--


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