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Analysis: Other POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Methyl-2-pyrrolidinoneN-Methylpyrrolidin-2-oneME530787-C11118-100.0764
CyclohexylamineCyclohexylamineME530609-C00571-100.1133
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME530786-C01234-102.0557
Betaine aldehydeBetaine aldehydeME530595-C00576-102.0922
SpermineSpermineME530754-C00750-102.1171
HexylamineHexylamineME530648-C08306-102.1286
CadaverineCadaverineME530599-C01672-103.1237
GABAgamma-Aminobutyric acidME530626-C00334-104.0712
N-MethylalanineN-MethylalanineME530708-C02721-104.0713
3-Aminoisobutyrate3-Aminoisobutanoic acidME530805-C05145-104.0714
2AB2S-Aminobutyric acidME530795-C02356-104.0717
N,N-DimethylglycineDimethylglycineME530687-C01026-104.0718
CholineCholineME530604-C00114-104.1088
2,3-Diaminopropionate2,3-Diaminopropionic acidME530792-C06393-105.0668
SerSerineME530749-C00065-106.0513
DiethanolamineDiethanolamineME530619-C06772-106.0871
N-MethylanilineN-MethylanilineME530709-C02299-108.0817
beta-Ala-Lys-ME530591-C05341-109.5800
HypotaurineHypotaurineME530658-C00519-110.0281
2-Aminophenol2-AminophenolME530797-C01987-110.0612
CytosineCytosineME530617-C00380-112.0496
HistamineHistamineME530650-C00388-112.0874
UracilUracilME530777-C00106-113.0373
CarnosineCarnosineME530602-C00386-114.0616
CreatinineCreatinineME530607-C00791-114.0674
beta-CyanoalanineCyanoalanineME530592-C02512-115.0510
MuscimolMuscimolME530686-C08311-115.0512
DihydrouracilDihydrouracilME530620-C00429-115.0515
ProProlineME530730-C00148-116.0723
GuanidinoacetateGuanidoacetic acidME530643-C00581-118.0609
5-Aminovalerate5-Aminopentanoic acidME530823-C00431-118.0858
BetaineBetaineME530594-C00719-118.0872
ValValineME530781-C00183-118.0878
Benzimidazole1H-BenzimidazoleME530589-C02009-119.0616
2,4-Diaminobutyrate2,4-Diaminobutyric acidME530793-C03283-119.0825
Alpha-MethylserineAlpha-MethylserineME530577-C02115-120.0666
ThrThreonineME530761-C00188-120.0671
HomoserineHomoserineME530655-C00263-120.0672
4-Amino-3-hydroxybutyrate-ME530817-C03678-120.0673
PurinePurineME530734-C15587-121.0525
AnserineAnserineME530580-C01262-121.0704
HomocarnosineHomocarnosineME530652-C00884-121.0704
BenzamidineBenzamidineME530588-C01784-121.0772
CysCysteineME530610-C00097-122.0283
BenzamideBenzamideME530587-C09815-122.0590
alpha-Methylbenzylamine-ME530576-C02455-122.0974
2,4-Dimethylaniline2,4-DimethylanilineME530794-C11003-122.0975
PhenethylaminePhenylethylamineME530724-C05332-122.0976
PicolinamidePicolinamideME530728-C01950-123.0562
Isonicotinamide-ME530670-C02421-123.0563
NicotinamideNiacinamideME530706-C00153-123.0563
N1-AcetylspermineN1-AcetylspermineME530691-C02567-123.1222
3-Chloroalanine-ME530808-C02635-124.0168
TaurineTaurineME530756-C00245-126.0235
5-Methylcytosine5-MethylcytosineME530831-C02376-126.0674
1-Methylhistamine1-MethylhistamineME530789-C05127-126.1028
ThymineThymineME530763-C00178-127.0411
Imidazole-4-acetateImidazoleacetic acidME530662-C02835-127.0513
MelamineMelamineME530678-C08737-127.0739
5-OxoprolinePyroglutamic acidME530834-C01879-128.0367
PipecolatePipecolic acidME530729-C00408-130.0871
1-Amino-1-cyclopentanecarboxylate1-Azaniumylcyclopentane-1-carboxylateME530785-C03969-130.0872
MetforminMetforminME530681-C07151-130.1101
OctylamineOctylamineME530718-C01740-130.1603
N-AcetylputrescineN-AcetylputrescineME530699-C02714-131.1186
AgmatineAgmatineME530569-C00179-131.1295
HydroxyprolineHydroxyprolineME530656-C01157-132.0668
5-Aminolevulinate5-Amino-levulinic acidME530822-C00430-132.0675
CreatineCreatineME530606-C00300-132.0784
6-AminohexanoateAminocaproic acidME530835-C02378-132.1030
beta-Leucinebeta-LeucineME530596-C02486-132.1032
IleIsoleucineME530661-C00407-132.1039
LeuLeucineME530673-C00123-132.1039
Bis(3-aminopropyl)amineNorspermidineME530598-C03375-132.1506
AsnAsparagineME530585-C00152-133.0609
Gly-GlyGly-GlyME530640-C02037-133.0633
OrnithineOrnithineME530720-C00077-133.0983
AspAspartic acidME530586-C00049-134.0466
2-Aminobenzimidazole-ME530796-C10901-134.0730
HomocysteineHomocysteineME530653-C00155-136.0438
AdenineAdenineME530566-C00147-136.0632
HypoxanthineHypoxanthineME530659-C00262-137.0466
1-Methylnicotinamide1-Methyl nicotinamideME530790-C02918-137.0722
TrigonellineTrigonellineME530767-C01004-138.0549
Anthranilate2-Aminobenzoic acidME530581-C00108-138.0552
p-Aminobenzoatep-Aminobenzoic acidME530722-C00568-138.0556
Phenylethanolamine2-HydroxyphenethylamineME530725-C02735-138.0923
TyramineTyramineME530776-C00483-138.0930
UrocanateUrocanic acidME530780-C00785-139.0516
Ethanolamine phosphatePhosphoethanolamineME530625-C00346-140.0135
6-Hydroxynicotinate6-Hydroxynicotinic acidME530836-C01020-140.0365
TropinoneTropinoneME530772-C00783-140.1079
HistidinolL-HistidinolME530651-C00860-142.0975
TropinePseudotropineME530771-C00729-142.1241
EctoineEctoineME530623-C06231-143.0829
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME530820-C04294-144.0504
Proline betaineProline betaineME530731-C10172-144.1042
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME530688-C03413-144.1278
gamma-Guanidinobutyrate4-Guanidinobutanoic acidME530630-C01035-146.0935
gamma-Butyrobetaine3-DehydroxycarnitineME530627-C01181-146.1184
AcetylcholineAcetylcholineME530565-C01996-146.1185
LysinamideLysinamideME530676-C01930-146.1288
SpermidineSpermidineME530753-C00315-146.1662
GlnGlutamineME530631-C00064-147.0783
5,6-DimethylbenzimidazoleDimethylbenzimidazoleME530821-C03114-147.0933
LysLysineME530675-C00047-147.1146
TrientineTrientineME530766-C07166-147.1616
O-AcetylserineO-AcetylserineME530716-C00979-148.0616
GluGlutamic acidME530632-C00025-148.0626
NornicotineNornicotineME530714-C06524-149.1081
MetMethionineME530680-C00073-150.0600
6-Methylaminopurine6-MethyladenineME530837-C08434-150.0785
3-Methyladenine3-MethyladenineME530813-C00913-150.0786
GuanineGuanineME530645-C00242-152.0582
AmantadineLoratadineME530578-C06818-152.1449
XanthineXanthineME530782-C00385-153.0400
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME530809-C00632-154.0495
4-AminosalicylateAminosalicylic acidME530818-C02518-154.0512
DopamineDopamineME530622-C03758-154.0871
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME530816-C05135-154.0979
Pseudopelletierinepsi-PelletierineME530732-C10865-154.1240
HisHistidineME530649-C00135-156.0783
beta-ImidazolelactateImidazolelactic acidME530593-C05568-157.0629
Ibotenate-ME530660-C10600-159.0411
AllantoinAllantoinME530573-C01551-159.0580
Indole-3-acetaldehydeIndoleacetaldehydeME530663-C00637-160.0635
BetonicineBetonicineME530597-C08269-160.0981
N-AcetylvalineN-AcetylvalineME530700---160.0982
Ala-AlaAla-AlaME530572-C00993-161.0937
TryptamineTryptamineME530774-C00398-161.1086
alpha-AminoadipateAminoadipic acidME530575-C00956-162.0775
N-MethylglutamateN-Methyl-glutamic acidME530710-C01046-162.0775
Indole-3-ethanolTryptophanolME530666-C00955-162.0954
CarnitineCarnitineME530601-C00318-162.1136
5-Hydroxylysine5-HydroxylysineME530826-C16741-163.1090
2-Deoxystreptamine2-DeoxystreptamineME530801-C02627-163.1093
NicotineNicotineME530707-C00745-163.1248
PterinPterinME530733-C00715-164.0579
S-MethylmethionineS-MethylmethionineME530752-C03172-164.0751
Methionine sulfoxideMethionine sulfoxideME530682-C02989-166.0549
7-Methylguanine7-MethylguanineME530840-C02242-166.0736
3-Methylguanine3-MethylguanineME530814-C02230-166.0739
PhePhenylalanineME530723-C00079-166.0880
TaurocyamineTaurocyamineME530757-C01959-168.0457
PyridoxalPyridoxalME530738-C00250-168.0678
3-Methoxytyramine3-MethoxytyramineME530812-C05587-168.1031
SynephrineSynephrineME530755-C04548-168.1032
PyridoxaminePyridoxamineME530739-C00534-169.0983
NoradrenalineXi-NorepinephrineME530713-C00547-170.0823
PyridoxinePyridoxineME530741-C00314-170.0827
3-Methylhistidine3-MethylhistidineME530815-C01152-170.0936
Indole-3-acetamide1H-Indole-3-acetamideME530664-C02693-175.0882
N-AcetylornithineN-AcetylornithineME530698-C00437-175.1088
N-gamma-EthylglutamineN(5)-Ethyl-glutamineME530705-C01047-175.1092
ArgArginineME530582-C00062-175.1213
N-omega-MethyltryptamineN-MethyltryptamineME530712-C06213-175.1247
Gramine-ME530642-C08304-175.1249
GuanidinosuccinateGuanidinosuccinic acidME530644-C03139-176.0676
Indole-3-acetateIndoleacetic acidME530665-C00954-176.0708
2-Guanidinobenzimidazole2-GuanidinobenzimidazoleME530802-C10898-176.0966
CitrullineCitrullineME530605-C00327-176.1045
CanavanineCanavanineME530600-C00308-177.0999
SerotoninSerotoninME530750-C00780-177.1030
AlliinAlliinME530574-C08265-178.0544
Cys-GlyCys-GlyME530611-C01419-179.0486
XanthopterinXanthopterinME530783---180.0528
GlucosamineGlucosamineME530634-C00329-180.0883
Mannosamine2-Amino-2-deoxy-D-mannoseME530677-C03570-180.0915
n-Butyl a-Picolinate-ME530703---180.1036
Methionine sulfoximineMethionine sulfoximineME530683-C03510-181.0651
TyrTyrosineME530775-C00082-182.0830
HarmanHarmanME530647-C09209-183.0934
PhosphorylcholineCholine phosphateME530727-C00588-184.0744
EpinephrineEpinephrineME530624-C00788-184.0980
N-alpha,N-alpha-DimethylhistidineN,N-DimethylhistidineME530701-C04259-184.1077
N8-AcetylspermidineN8-AcetylspermidineME530694-C01029-188.1766
N1-AcetylspermidineN1-AcetylspermidineME530690-C00612-188.1772
N-epsilon-AcetyllysineN6-AcetyllysineME530704-C02727-189.1243
Gly-LeuGly-LeuME530641-C02155-189.1266
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME530692-C03793-189.1609
CastanospermineCastanospermineME530603-C02256-190.1084
5-Methoxytryptamine5-MethoxytryptamineME530829-C05659-191.1196
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME530825-C05635-192.0691
SAHS-AdenosylhomocysteineME530744-C00021-193.0708
GlucosaminateGlucosaminic acidME530633-C03752-196.0832
DOPADOPAME530621-C00355-198.0783
N-AcetylhistidineN-AcetylhistidineME530697-C02997-198.0879
SAM+S-AdenosylmethionineME530745-C00019-200.0800
ADMADimethylarginineME530568-C03626-203.1511
Arginine ethyl esterEthyl arginateME530583-C01404-203.1524
SDMASymmetric dimethylarginineME530747---203.1529
o-AcetylcarnitineCAR 2:0ME530715-C02571-204.1244
TrpTryptophanME530773-C00078-205.0989
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME530828-C05660-206.0815
KynurenineKynurenineME530672-C00328-209.0957
Cysteine-glutathione disulphide-ME530614---214.0571
DesthiobiotinDethiobiotinME530618-C01909-215.1361
o-Succinylhomoserineo-SuccinylhomoserineME530721-C01118-220.0813
trans-Zeatintrans-ZeatinME530764-C00371-220.1171
5-Hydroxytryptophan5-Hydroxy-tryptophanME530827-C00643-221.0939
N-AcetylglucosylamineN-Acetyl-beta-glucosaminylamineME530696-C01239-221.1121
N-AcetylglucosamineN-AcetylglucosamineME530695-C00140-222.0970
CystathionineCystathionineME530612-C02291-223.0773
3-HydroxykynurenineHydroxykynurenineME530810-C02794-225.0891
2'-DeoxycytidineDeoxycytidineME530798-C00881-228.1013
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME530689---230.1866
gamma-Glu-2ABgamma-Glutamyl-2-aminobutanoateME530628---233.1150
MelatoninMelatoninME530679-C01598-233.1295
SepiapterinSepiapterinME530748-C00835-238.0948
7,8-Dihydrobiopterin7,8-DihydrobiopterinME530838-C02953-240.1105
CystineCystineME530615-C00491-241.0331
5-Methyl-2'-deoxycytidine5-Methyl-2'-deoxycytidineME530830-C03592-242.1189
ThymidineThymidineME530762-C00214-243.0985
CytidineCytidineME530616-C00475-244.0966
UridineUridineME530779-C00299-245.0816
OctopineOctopineME530717-C04137-247.1412
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME530740-C00647-249.0650
gamma-Glu-cysgamma-GlutamylcysteineME530629-C00669-251.0716
MuramateMuramic acidME530685-C06470-252.1098
5'-Deoxyadenosine5'-DeoxyadenosineME530824-C05198-252.1115
Purine ribosideNebularineME530735-C01736-253.0949
2'-DeoxyinosineDeoxyinosineME530800-C05512-253.0951
7,8-Dihydroneopterin7,8-DihydroneopterinME530839-C04874-256.1070
Glycerophosphorylcholinesn-Glycero-3-phosphocholineME530639-C00670-258.1121
ThiamineThiamineME530759-C00378-265.1151
N6-Methyl-2'-deoxyadenosineN6-Methyl-2'-deoxyadenosineME530693-C03795-266.1263
AdenosineAdenosineME530567-C00212-268.1056
2'-DeoxyguanosineDeoxyguanosineME530799-C00330-268.1077
HomocystineHomocystineME530654-C01817-269.0652
InosineInosineME530667-C00294-269.0903
Glu-GluGlu-GluME530635-C01425-277.1063
SaccharopineSaccharopineME530743-C00449-277.1413
1-Methyladenosine1-MethyladenosineME530788-C02494-282.1239
GuanosineGuanosineME530646-C00387-284.1015
XanthosineXanthosineME530784-C01762-285.0853
OphthalmateOphthalmic acidME530719---290.1367
ArgininosuccinateArgininosuccinic acidME530584-C03406-291.1326
5-Methylthioadenosine5'-MethylthioadenosineME530833-C00170-298.0987
Glutathione(ox)Oxidized glutathioneME530636-C00127-307.0888
N-alpha-Benzenolarginine ethylesterBz-Arg-OEtME530702-C01670-307.1792
3-IodotyrosineIodotyrosineME530811-C02515-307.9800
Glutathione(red)GlutathioneME530637-C00051-308.0941
Phe-PhePhe-PheME530726---313.1577
NMNNicotinamide ribotideME530711-C00455-335.0672
AICARAICARME530570-C04677-339.0734
Thiamine monophosphateThiamine monophosphateME530760-C01081-345.0826
TetrahydropalmatineTetrahydropalmatineME530758-C02890-356.1890
TRHThyrotropin releasing hormoneME530765-C03958-363.1806
RiboflavinRiboflavinME530742-C00255-377.1407
S-LactoylglutathioneS-LactoylglutathioneME530751-C03451-380.1150
Leu-Leu-TyrLeu-Leu-TyrME530674-C11331-408.2520
3,5-Diiodo-tyrosine3,5-Diiodo-L-tyrosineME530804-C01060-433.8773
5-Methyltetrahydrofolate5-Methyl-THFME530832-C00440-460.2108
TrimethylamineTrimethylamineME530768-C00565-60.0815
UreaUreaME530778-C00086-61.0408
3,3',5-TriiodothyronineLiothyronineME530803-C02465-651.7992
CyanocobalaminCyanocobalaminME530608-C02823-678.2974
Pyrazole1H-pyrazoleME530737-C00481-69.0449
3-Aminopropionitrile-ME530807-C05670-71.0614
MethylguanidineMethylguanidineME530684-C02294-74.0723
Isobutylamine-ME530669-C02787-74.0978
1,3-Diaminopropane1,3-DiaminopropaneME530791-C00986-75.0919
GlyGlycineME530638-C00037-76.0406
IsopropanolamineIsopropanolamineME530671-C05771-76.0765
Trimethylamine N-oxideTrimethylamine N-oxideME530769-C01104-76.0765
HydroxyureaHydroxyureaME530657-C07044-77.0348
TrimethylsulfoniumTrimethyl sulfoniumME530770-C01008-77.0427
CysteamineCysteamineME530613-C01678-78.0378
Isoamylamine3-Methyl-1-butylamineME530668-C02640-88.1131
Putrescine(1,4-Butanediamine)PutrescineME530736-C00134-89.1076
beta-Alabeta-AlanineME530590-C00099-90.0556
SarcosineSarcosineME530746-C00213-90.0556
AlaAlanineME530571-C00041-90.0564
3-Aminopropane-1,2-diol(S)-3-Amino-1,2-propanediolME530806-C06057-92.0713
AnilineAnilineME530579-C00292-94.0660
4-HydroxymethylimidazoleImidazole-4-methanolME530819-C05562-99.0556


Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Oxobutyrate3-Methyl pyruvic acidME531046-C00109-101.0260
3-MethylbutanoateIsovaleric acidME531062-C08262-101.0619
PentanoateValeric acidME530973-C00803-101.0624
MalonateMalonic acidME530937-C00383-103.0053
2-Hydroxybutyrate2-Hydroxybutyric acidME531038-C05984-103.0415
2-Hydroxyisobutyrate2-Hydroxyisobutyric acidME531040---103.0417
3-Hydroxybutyrate3-Hydroxybutyric acidME531058-C01089-103.0417
(Methylthio)acetate(Methylthio)acetic acidME530941-C03173-105.0042
GlycerateGlyceric acidME530916-C00258-105.0215
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME530988-C05942-110.0265
Methyl sulfateMethyl sulfateME530940-C02704-110.9774
2-Furoate2-Furoic acidME531036-C01546-111.0102
FumarateFumaric acidME530905-C00122-115.0056
2-OxoisopentanoateKetoisovaleric acidME531048-C00141-115.0415
4-OxopentanoateLevulinic acidME531073---115.0415
HexanoateCaproic acidME530924-C01585-115.0781
SuccinateSuccinic acidME531001-C00042-117.0217
2-Hydroxypentanoate2-Hydroxyvaleric acidME531042---117.0573
BenzoateBenzoic acidME530854-C00180-121.0324
NicotinateNicotinic acidME530961-C00253-122.0267
2-AminoethylphosphonateCiliatineME531033-C03557-124.0186
1-Aminoethylphosphonate-ME531026-C03782-124.0188
Isethionate2-HydroxyethanesulfonateME530930-C05123-124.9932
BarbiturateBarbituric acidME530853-C00813-127.0157
CitraconateCitraconic acidME530868-C02226-129.0215
ItaconateItaconic acidME530933-C00490-129.0216
4-Methyl-2-oxopentanoateKetoleucineME531070-C00233-129.0568
4-Acetylbutyrate5-Ketocaproic acidME531067-C02129-129.0571
4-Oxohexanoate-ME531072---129.0574
HeptanoateHeptylic acidME530923-C17714-129.0931
N-Acetyl-beta-alanineN-Acetyl-beta-alanineME530945-C01073-130.0527
GlutarateGlutaric acidME530915-C00489-131.0369
3-UreidopropionateUreidopropionic acidME531066-C02642-131.0479
2-Hydroxy-4-methylpentanoateD-Leucic acidME531037-C03264-131.0734
6-Hydroxyhexanoate6-Hydroxycaproic acidME531075-C06103-131.0735
MalateMalic acidME530936-C00711-133.0161
ThreonateThreonic acidME531009-C01620-135.0319
p-Hydroxybenzoate4-Hydroxybenzoic acidME530980-C00156-137.0266
o-HydroxybenzoateSalicylic acidME530964-C00805-137.0268
m-Hydroxybenzoate3-Hydroxybenzoic acidME530942-C00587-137.0271
PhosphonoacetatePhosphonoacetateME530978-C05682-138.9839
CarbamoylphosphateCarbamoylphosphateME530861-C00169-139.9784
2-Thiopheneacetate2-Thienylacetic acidME531052-C02595-141.0046
OctanoateCaprylic acidME530963-C06423-143.1094
2-Oxoglutarate2-Oxoglutaric acidME531047-C00026-145.0165
AdipateAdipic acidME530845-C06104-145.0527
threo-beta-methylaspartate-ME531008-C03618-146.0477
4-Methylthio-2-oxobutyrate2-Oxo-4-methylthiobutanoic acidME531071-C01180-147.0134
2-Hydroxyglutarate2-Hydroxyglutaric acidME531039-C02630-147.0323
CitramalateCitramalic acidME530869-C02614-147.0323
trans-Cinnamatetrans-Cinnamic acidME531013-C00423-147.0472
TartrateTartaric acidME531004-C00898-149.0105
BenzoylformatePhenylglyoxylic acidME530855-C02137-149.0266
3-PhenylpropionateHydrocinnamic acidME531065-C05629-149.0620
2-Hydroxyphenylacetate2-Hydroxyphenylacetic acidME531043-C05852-151.0423
p-Hydroxyphenylacetate4-Hydroxyphenylacetic acidME530981-C00642-151.0423
Cysteine sulfinate3-Sulfino-alanineME530878-C00606-152.0046
2,5-DihydroxybenzoateGentisic acidME531031-C00628-153.0209
2,4-Dihydroxypyrimidine-5-carboxylateUracil-5-carboxylic acidME531030-C03030-155.0119
OrotateOrotic acidME530967-C00295-155.0119
Dihydroorotate4,5-Dihydroorotic acidME530891-C00337-157.0271
2-Oxooctanoate-ME531049---157.0892
PelargonatePelargonic acidME530972-C01601-157.1251
2-OxoadipateOxoadipic acidME531045-C00322-159.0323
PimelatePimelic acidME530982-C02656-159.0683
2-Hydroxyoctanoate2-Hydroxyoctanoic acidME531041---159.1054
N-FormylaspartateN-Formyl-aspartic acidME530959-C01044-160.0273
3-Hydroxy-3-methylglutarate3-Hydroxymethylglutaric acidME531057-C03761-161.0483
o-Coumaratetrans-o-Coumaric acidME530962-C01772-163.0418
p-Coumaratecis-p-Coumaric acidME530971-C00811-163.0421
PhenylpyruvatePhenylpyruvic acidME530977-C00166-163.0421
PhthalatePhthalic acidME530979-C01606-165.0212
TerephthalateTerephthalic acidME531007-C06337-165.0216
3-(2-Hydroxyphenyl)propionate3-(2-Hydroxyphenyl)propanoic acidME531053-C01198-165.0573
3-PhenyllactatePhenyllactic acidME531064-C05607-165.0575
3-(4-Hydroxyphenyl)propionateDesaminotyrosineME531054-C01744-165.0579
2,3-PyridinedicarboxylateQuinolinic acidME531029-C03722-166.0166
PEPPhosphoenolpyruvic acidME530974-C00074-166.9776
UrateUric acidME531021-C00366-167.0253
4-Hydroxymandelate4-Hydroxymandelic acidME531069-C11527-167.0382
CysteateCysteic acidME530876-C00506-168.0000
2-Amino-3-phosphonopropionate-ME531032-C05672-168.0092
G3PGlyceraldehyde 3-phosphateME530907-C00661-168.9933
DHAPDihydroxyacetone phosphateME530889-C00111-168.9934
Glycerophosphatesn-Glycero-3-phosphateME530917-C00093-171.0085
DecanoateCapric acidME530887-C01571-171.1416
2-QuinolinecarboxylateQuinaldic acidME531051-C06325-172.0427
N-AcetylleucineN-AcetylleucineME530949-C02710-172.1001
Phenyl phosphatePhenyl phosphateME530976-C02734-173.0030
cis-Aconitatecis-Aconitic acidME530867-C00417-173.0116
trans-Aconitatetrans-Aconitic acidME531012-C02341-173.0118
ShikimateShikimic acidME530998-C00493-173.0491
N-AcetylaspartateN-Acetylaspartic acidME530944-C01042-174.0434
CarbamoylaspartateCarbamoylaspartateME530860-C00438-175.0379
AllantoateAllantoic acidME530849-C00499-175.0491
2-Isopropylmalate2-Isopropylmalic acidME531044-C02504-175.0638
N-FormylmethionineN-FormylmethionineME530960-C03145-176.0412
HippurateHippuric acidME530925-C01586-178.0541
HomovanillateHomovanillic acidME530926-C05582-181.0532
4-Pyridoxate4-Pyridoxic acidME531074-C00847-182.0484
Serine O-sulfateSerine-O-sulfateME530997-C02703-183.9947
O-PhosphoserinePhosphoserineME530966-C01005-184.0043
2PG2-Phosphoglyceric acidME531050-C00631-184.9883
3PG3-Phosphoglyceric acidME531063-C00197-184.9884
UndecanoateUndecylic acidME531020-C17715-185.1568
AzelateAzelaic acidME530852-C08261-187.1001
10-Hydroxydecanoate10-Hydroxydecanoic acidME531077-C02774-187.1364
N-AcetylglutamateN-Acetylglutamic acidME530948-C00624-188.0592
N-CarbamylglutamateCarglumic acidME530958-C05829-189.0543
N-AcetylmethionineN-AcetylmethionineME530950-C02712-190.0556
IsocitrateIsocitric acidME530932-C00311-191.0217
CitrateCitric acidME530870-C00158-191.0225
QuinateQuinic acidME530990-C00296-191.0584
PhenaceturatePhenylacetylglycineME530975-C05598-192.0690
GlucuronateGlucuronic acidME530914-C00191-193.0382
trans-4-Hydroxy-3-methoxycinnamatetrans-Ferulic acidME531011-C01494-193.0480
o-HydroxyhippurateSalicyluric acidME530965-C07588-194.0488
GluconateGluconic acidME530912-C00257-195.0536
SyringateSyringic acidME531003-C10833-197.0483
4-Hydroxy-3-methoxymandelateVanillylmandelic acidME531068-C05584-197.0489
DodecanoateLauric acidME530894-C02679-199.1733
Cysteine S-sulfateCysteine-S-sulfateME530877-C05824-199.9722
SebacateSebacic acidME530996-C08277-201.1155
3-Indolebutyrate3-Indolebutyric acidME531060-C11284-202.0900
XanthurenateXanthurenic acidME531023-C02470-204.0329
IndolelactateIndolelactic acidME530929-C02043-204.0708
N-AcetylphenylalanineN-AcetylphenylalanineME530953-C03519-206.0836
Benzylsuccinate(R)-2-Benzylsuccinic acidME530856-C09816-207.0693
MucateGalactaric acidME530943-C00879-209.0328
SaccharateGlucaric acidME530995-C00818-209.0335
3-Indoxyl sulfateIndoxyl sulfateME531061---212.0052
2-Deoxyribose 1-phosphateDeoxyribose 1-phosphateME531035-C00672-213.0199
PantothenatePantothenic acidME530970-C00864-218.1053
SinapateSinapic acidME530999-C00482-223.0655
PorphobilinogenPorphobilinogenME530983-C00931-225.0916
Ru5PRibulose 5-phosphateME530993-C00199-229.0141
R5PRibose 5-phosphateME530991-C00117-229.0150
DodecanedioateDodecanedioic acidME530893-C02678-229.1469
2-Deoxyglucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME531034-C06369-243.0307
BiotinBiotinME530857-C00120-243.0845
Glucosamine 6-phosphateGlucosamine 6-phosphateME530913-C00352-258.0417
G6PGlucose 6-phosphateME530908-C00092-259.0251
F6PFructose 6-phosphateME530902-C00085-259.0257
G1PGlucose 1-phosphateME530906-C00103-259.0258
Sorbitol 6-phosphatePseudouridineME531000-C01096-261.0411
2,3-DPG2,3-Diphosphoglyceric acidME531028-C01159-264.9559
Galacturonate 1-phosphate-ME530909-C04037-273.0056
6-Phosphogluconate6-Phosphogluconic acidME531076-C00345-275.0209
S7PSedoheptulose 7-phosphateME530994-C05382-289.0365
N-AcetylmuramateN-Acetylmuramic acidME530951-C02713-292.1068
N-Acetylglucosamine 1-phosphateN-Acetylglucosamine 1-phosphateME530946-C04501-300.0524
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME530947-C00357-300.0527
2',3'-cCMP2',3' cyclic CMPME531027-C02354-304.0375
dCMPdCMPME530884-C00239-306.0532
dUMPdUMPME530899-C00365-307.0373
N-AcetylneuraminateN-Acetylneuraminic acidME530952-C00270-308.1024
Ribulose 1,5-diphosphateRibulose 1,5-bisphosphateME530992-C01182-308.9817
3',5'-Cyclic dAMP-ME531055-C00968-312.0537
dTMPdTMPME530896-C00364-321.0525
CMPCMPME530871-C00055-322.0471
UMPUMPME531019-C00105-323.0315
cAMP3',5' cyclic AMPME530859-C00575-328.0491
cIMP-ME530866-C00943-329.0324
dAMPdAMPME530880-C00360-330.0644
F1,6PFructose 1,6-bisphosphateME530901-C00354-338.9926
cGMP3',5' cyclic GMPME530864-C00942-344.0432
AMPAMPME530850-C00020-346.0590
3'-AMP3'-AMPME531056-C01367-346.0595
IMPIMPME530928-C00130-347.0421
Prostaglandin E2PGE2ME530985-C00584-351.2196
Prostaglandin F2alphaPGF2alphaME530986-C00639-353.2371
GMPGMPME530921-C00144-362.0540
XMPXMPME531024-C00655-363.0382
Orotidine 5'-monophosphateOrotidylic acidME530968-C01103-367.0219
DigalacturonateDigalacturonic acidME530890-C02273-369.0717
NADPHNADPHME530957-C00005-371.5438
CoACoenzyme AME530873-C00010-382.5558
dCDPdCDPME530883-C00705-386.0196
dUDPdUDPME530898-C01346-387.0038
PRPPPhosphoribosyl pyrophosphateME530987-C00119-388.9488
DCADeoxycholic acidME530882-C04483-391.2899
dTDPdTDPME530895-C00363-401.0200
CDPCDPME530862-C00112-402.0145
UDPUDPME531015-C00015-402.9986
Acetyl CoAAcetyl-CoAME530841-C00024-403.5616
CholateCholic acidME530865-C00695-407.2840
dADPdADPME530879-C00206-410.0307
P1, P4-Di(adenosine-5') tetraphosphate-ME530969-C01260-417.0233
Isobutyryl CoAIsobutyryl-CoAME530931-C00630-417.5767
Trehalose 6-phosphateTrehalose 6-phosphateME531014-C00689-421.0798
Malonyl CoAMalonyl-CoAME530938-C00083-425.5567
Adenosine 5'-phosphosulfateAdenosine phosphosulfateME530843-C00224-426.0160
Adenosine 3',5'-diphosphateAdenosine 3',5'-diphosphateME530842-C00054-426.0257
ADPADPME530846-C00008-426.0258
IDPIDPME530927-C00104-427.0098
Succinyl CoASuccinyl-CoAME531002-C00091-432.5647
FolateFolic acidME530904-C00504-440.1361
GDPGDPME530910-C00035-442.0209
AdenylosuccinateAdenylsuccinic acidME530844-C03794-462.0701
GlycocholateGlycocholic acidME530918-C01921-464.3048
dCTPdCTPME530885-C00458-465.9861
dUTPdUTPME530900-C00460-466.9700
dTTPdTTPME530897-C00459-480.9854
CTPCTPME530875-C00063-481.9806
UTPUTPME531022-C00075-482.9644
dATPdATPME530881-C00131-489.9967
dITPdITPME530892-C01345-490.9811
dGTPdGTPME530888-C00286-505.9911
ATPATPME530851-C00002-505.9917
ITPITPME530934-C00081-506.9754
TaurocholateTaurocholic acidME531005-C05122-514.2885
GTPGTPME530922-C00044-521.9859
XTPXanthosine 5-triphosphateME531025-C00700-522.9705
CDP-cholineCDP-cholineME530863-C00307-547.1234
ADP-riboseADP-riboseME530848-C00301-558.0668
TDP-glucosedTDP-glucoseME531006-C00842-563.0713
UDP-glucoseUDP-glucoseME531016-C00029-565.0496
UDP-glucuronateUDP-glucuronic acidME531017-C00167-579.0297
ADP-glucoseADP-glucoseME530847-C00498-588.0773
GDP-mannoseGDP-mannoseME530911-C00096-604.0730
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME531018-C00043-606.0777
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME530872-C00128-613.1428
NAD+NADME530954-C00003-662.1043
Deamido-NAD+Nicotinic acid adenine dinucleotideME530886-C00857-663.0886
NADHNADHME530955-C00004-664.1180
GlyoxylateGlyoxylic acidME530920-C00048-72.9956
PropionatePropionic acidME530984-C00163-73.0316
NADP+NADPME530956-C00006-742.0697
GlycolateGlycolic acidME530919-C00160-75.0102
FADFADME530903-C00016-784.1522
CrotonateCrotonic acidME530874-C01771-85.0318
PyruvatePyruvic acidME530989-C00022-87.0104
ButyrateButyric acidME530858-C00246-87.0469
3-HydroxypropionateHydroxypropionic acidME531059-C01013-89.0262
LactateLactic acidME530935-C00186-89.0264
MethanesulfonateMethanesulfonic acidME530939-C11145-94.9827
TiglateTiglic acidME531010-C08279-99.0469


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