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Return to study ST002170 main page
Analysis: Other POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Methyl-2-pyrrolidinone
N-Methylpyrrolidin-2-one
ME529817
-
C11118
-
100.0763
Cyclohexylamine
Cyclohexylamine
ME529586
-
C00571
-
100.1127
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME529763
-
C01234
-
102.0556
Betaine aldehyde
Betaine aldehyde
ME529572
-
C00576
-
102.0918
Spermine
Spermine
ME529731
-
C00750
-
102.1153
Hexylamine
Hexylamine
ME529625
-
C08306
-
102.1281
Cadaverine
Cadaverine
ME529576
-
C01672
-
103.1237
N,N-Dimethylglycine
Dimethylglycine
ME529664
-
C01026
-
104.0711
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME529781
-
C05145
-
104.0712
GABA
gamma-Aminobutyric acid
ME529603
-
C00334
-
104.0712
2AB
2S-Aminobutyric acid
ME529771
-
C02356
-
104.0713
N-Methylalanine
N-Methylalanine
ME529685
-
C02721
-
104.0713
Choline
Choline
ME529581
-
C00114
-
104.1076
2,3-Diaminopropionate
2,3-Diaminopropionic acid
ME529768
-
C06393
-
105.0666
Ser
Serine
ME529726
-
C00065
-
106.0503
Diethanolamine
Diethanolamine
ME529596
-
C06772
-
106.0867
N-Methylaniline
N-Methylaniline
ME529686
-
C02299
-
108.0812
beta-Ala-Lys
-
ME529568
-
C05341
-
109.5789
Hypotaurine
Hypotaurine
ME529635
-
C00519
-
110.0270
2-Aminophenol
2-Aminophenol
ME529773
-
C01987
-
110.0604
Cytosine
Cytosine
ME529594
-
C00380
-
112.0508
Histamine
Histamine
ME529627
-
C00388
-
112.0876
Uracil
Uracil
ME529754
-
C00106
-
113.0351
Carnosine
Carnosine
ME529579
-
C00386
-
114.0610
Creatinine
Creatinine
ME529584
-
C00791
-
114.0666
Dihydrouracil
Dihydrouracil
ME529597
-
C00429
-
115.0447
beta-Cyanoalanine
Cyanoalanine
ME529569
-
C02512
-
115.0506
Muscimol
Muscimol
ME529663
-
C08311
-
115.0507
Pro
Proline
ME529707
-
C00148
-
116.0710
Guanidinoacetate
Guanidoacetic acid
ME529620
-
C00581
-
118.0613
Val
Valine
ME529758
-
C00183
-
118.0867
5-Aminovalerate
5-Aminopentanoic acid
ME529799
-
C00431
-
118.0868
Betaine
Betaine
ME529571
-
C00719
-
118.0869
Benzimidazole
1H-Benzimidazole
ME529566
-
C02009
-
119.0604
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME529769
-
C03283
-
119.0819
Alpha-Methylserine
Alpha-Methylserine
ME529554
-
C02115
-
120.0659
Thr
Threonine
ME529738
-
C00188
-
120.0659
4-Amino-3-hydroxybutyrate
-
ME529793
-
C03678
-
120.0660
Homoserine
Homoserine
ME529632
-
C00263
-
120.0680
Purine
Purine
ME529711
-
C15587
-
121.0516
Homocarnosine
Homocarnosine
ME529629
-
C00884
-
121.0685
Anserine
Anserine
ME529557
-
C01262
-
121.0688
Benzamidine
Benzamidine
ME529565
-
C01784
-
121.0764
Cys
Cysteine
ME529587
-
C00097
-
122.0275
Benzamide
Benzamide
ME529564
-
C09815
-
122.0604
Phenethylamine
Phenylethylamine
ME529701
-
C05332
-
122.0968
2,4-Dimethylaniline
2,4-Dimethylaniline
ME529770
-
C11003
-
122.0969
alpha-Methylbenzylamine
-
ME529553
-
C02455
-
122.0969
Isonicotinamide
-
ME529647
-
C02421
-
123.0552
Picolinamide
Picolinamide
ME529705
-
C01950
-
123.0554
Nicotinamide
Niacinamide
ME529683
-
C00153
-
123.0556
N1-Acetylspermine
N1-Acetylspermine
ME529668
-
C02567
-
123.1207
3-Chloroalanine
-
ME529784
-
C02635
-
124.0160
Taurine
Taurine
ME529733
-
C00245
-
126.0225
5-Methylcytosine
5-Methylcytosine
ME529807
-
C02376
-
126.0663
1-Methylhistamine
1-Methylhistamine
ME529765
-
C05127
-
126.1032
Imidazole-4-acetate
Imidazoleacetic acid
ME529639
-
C02835
-
127.0501
Thymine
Thymine
ME529740
-
C00178
-
127.0511
Melamine
Melamine
ME529655
-
C08737
-
127.0727
5-Oxoproline
Pyroglutamic acid
ME529810
-
C01879
-
128.0369
1-Amino-1-cyclopentanecarboxylate
1-Azaniumylcyclopentane-1-carboxylate
ME529762
-
C03969
-
130.0865
Pipecolate
Pipecolic acid
ME529706
-
C00408
-
130.0865
Metformin
Metformin
ME529658
-
C07151
-
130.1092
Octylamine
Octylamine
ME529695
-
C01740
-
130.1597
N-Acetylputrescine
N-Acetylputrescine
ME529676
-
C02714
-
131.1169
Agmatine
Agmatine
ME529546
-
C00179
-
131.1296
Hydroxyproline
Hydroxyproline
ME529633
-
C01015
-
132.0654
5-Aminolevulinate
5-Amino-levulinic acid
ME529798
-
C00430
-
132.0663
Creatine
Creatine
ME529583
-
C00300
-
132.0773
6-Aminohexanoate
Aminocaproic acid
ME529811
-
C02378
-
132.1003
Ile
Isoleucine
ME529638
-
C00407
-
132.1022
Leu
Leucine
ME529650
-
C00123
-
132.1023
beta-Leucine
beta-Leucine
ME529573
-
C02486
-
132.1026
Bis(3-aminopropyl)amine
Norspermidine
ME529575
-
C03375
-
132.1498
Asn
Asparagine
ME529562
-
C00152
-
133.0614
Gly-Gly
Gly-Gly
ME529617
-
C02037
-
133.0615
Ornithine
Ornithine
ME529697
-
C00077
-
133.0975
Asp
Aspartic acid
ME529563
-
C00049
-
134.0452
2-Aminobenzimidazole
-
ME529772
-
C10901
-
134.0717
Homocysteine
Homocysteine
ME529630
-
C00155
-
136.0435
Adenine
Adenine
ME529543
-
C00147
-
136.0622
Hypoxanthine
Hypoxanthine
ME529636
-
C00262
-
137.0460
1-Methylnicotinamide
1-Methyl nicotinamide
ME529766
-
C02918
-
137.071
p-Aminobenzoate
p-Aminobenzoic acid
ME529699
-
C00568
-
138.0543
Anthranilate
2-Aminobenzoic acid
ME529558
-
C00108
-
138.0552
Trigonelline
Trigonelline
ME529744
-
C01004
-
138.0561
Phenylethanolamine
2-Hydroxyphenethylamine
ME529702
-
C02735
-
138.0917
Tyramine
Tyramine
ME529753
-
C00483
-
138.0917
Urocanate
Urocanic acid
ME529757
-
C00785
-
139.0505
Ethanolamine phosphate
Phosphoethanolamine
ME529602
-
C00346
-
140.0134
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME529812
-
C01020
-
140.0338
Tropinone
Tropinone
ME529749
-
C00783
-
140.1072
Histidinol
L-Histidinol
ME529628
-
C00860
-
142.0979
Tropine
Pseudotropine
ME529748
-
C00729
-
142.1231
Ectoine
Ectoine
ME529600
-
C06231
-
143.0820
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME529796
-
C04294
-
144.0479
Proline betaine
Proline betaine
ME529708
-
C10172
-
144.1023
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME529665
-
C03413
-
144.1255
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME529607
-
C01035
-
146.0928
Acetylcholine
Acetylcholine
ME529542
-
C01996
-
146.1177
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME529604
-
C01181
-
146.1178
Lysinamide
Lysinamide
ME529653
-
C01930
-
146.1297
Spermidine
Spermidine
ME529730
-
C00315
-
146.1659
Gln
Glutamine
ME529608
-
C00064
-
147.0767
5,6-Dimethylbenzimidazole
Dimethylbenzimidazole
ME529797
-
C03114
-
147.0923
Lys
Lysine
ME529652
-
C00047
-
147.1130
Trientine
Trientine
ME529743
-
C07166
-
147.1609
Glu
Glutamic acid
ME529609
-
C00025
-
148.0606
O-Acetylserine
O-Acetylserine
ME529693
-
C00979
-
148.0607
Nornicotine
Nornicotine
ME529691
-
C06524
-
149.1073
Met
Methionine
ME529657
-
C00073
-
150.0585
3-Methyladenine
3-Methyladenine
ME529789
-
C00913
-
150.0777
6-Methylaminopurine
6-Methyladenine
ME529813
-
C08434
-
150.0778
Guanine
Guanine
ME529622
-
C00242
-
152.0577
Amantadine
Loratadine
ME529555
-
C06818
-
152.1432
Xanthine
Xanthine
ME529759
-
C00385
-
153.0413
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME529785
-
C00632
-
154.0504
4-Aminosalicylate
Aminosalicylic acid
ME529794
-
C02518
-
154.0505
Dopamine
Dopamine
ME529599
-
C03758
-
154.0871
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME529792
-
C05135
-
154.0976
Pseudopelletierine
psi-Pelletierine
ME529709
-
C10865
-
154.1233
His
Histidine
ME529626
-
C00135
-
156.0773
beta-Imidazolelactate
Imidazolelactic acid
ME529570
-
C05568
-
157.0613
Ibotenate
-
ME529637
-
C10600
-
159.0402
Allantoin
Allantoin
ME529550
-
C01551
-
159.0519
Indole-3-acetaldehyde
Indoleacetaldehyde
ME529640
-
C00637
-
160.0697
Betonicine
Betonicine
ME529574
-
C08269
-
160.0971
N-Acetylvaline
N-Acetylvaline
ME529677
-
-
-
160.0973
Ala-Ala
Ala-Ala
ME529549
-
C00993
-
161.0922
Tryptamine
Tryptamine
ME529751
-
C00398
-
161.1081
N-Methylglutamate
N-Methyl-glutamic acid
ME529687
-
C01046
-
162.0763
alpha-Aminoadipate
Aminoadipic acid
ME529552
-
C00956
-
162.0781
Indole-3-ethanol
Tryptophanol
ME529643
-
C00955
-
162.0954
Carnitine
Carnitine
ME529578
-
C00318
-
162.1127
2-Deoxystreptamine
2-Deoxystreptamine
ME529777
-
C02627
-
163.1083
5-Hydroxylysine
5-Hydroxylysine
ME529802
-
C16741
-
163.1083
Nicotine
Nicotine
ME529684
-
C00745
-
163.1231
Pterin
Pterin
ME529710
-
C00715
-
164.0570
S-Methylmethionine
S-Methylmethionine
ME529729
-
C03172
-
164.0746
Methionine sulfoxide
Methionine sulfoxide
ME529659
-
C02989
-
166.0537
7-Methylguanine
7-Methylguanine
ME529816
-
C02242
-
166.0726
3-Methylguanine
3-Methylguanine
ME529790
-
C02230
-
166.0728
Phe
Phenylalanine
ME529700
-
C00079
-
166.0867
Taurocyamine
Taurocyamine
ME529734
-
C01959
-
168.0436
Pyridoxal
Pyridoxal
ME529715
-
C00250
-
168.0662
3-Methoxytyramine
3-Methoxytyramine
ME529788
-
C05587
-
168.1016
Synephrine
Synephrine
ME529732
-
C04548
-
168.1024
Pyridoxamine
Pyridoxamine
ME529716
-
C00534
-
169.0970
Pyridoxine
Pyridoxine
ME529718
-
C00314
-
170.0815
Noradrenaline
Xi-Norepinephrine
ME529690
-
C00547
-
170.0820
3-Methylhistidine
3-Methylhistidine
ME529791
-
C01152
-
170.0930
Indole-3-acetamide
1H-Indole-3-acetamide
ME529641
-
C02693
-
175.0822
N-gamma-Ethylglutamine
N(5)-Ethyl-glutamine
ME529682
-
C01047
-
175.1078
N-Acetylornithine
N-Acetylornithine
ME529675
-
C00437
-
175.1082
Arg
Arginine
ME529559
-
C00062
-
175.1193
N-omega-Methyltryptamine
N-Methyltryptamine
ME529689
-
C06213
-
175.1235
Gramine
-
ME529619
-
C08304
-
175.1236
Guanidinosuccinate
Guanidinosuccinic acid
ME529621
-
C03139
-
176.0674
Indole-3-acetate
Indoleacetic acid
ME529642
-
C00954
-
176.0709
2-Guanidinobenzimidazole
2-Guanidinobenzimidazole
ME529778
-
C10898
-
176.0935
Citrulline
Citrulline
ME529582
-
C00327
-
176.1033
Canavanine
Canavanine
ME529577
-
C00308
-
177.0984
Serotonin
Serotonin
ME529727
-
C00780
-
177.1028
Alliin
Alliin
ME529551
-
C08265
-
178.0534
Cys-Gly
Cys-Gly
ME529588
-
C01419
-
179.0491
Xanthopterin
Xanthopterin
ME529760
-
-
-
180.0516
Mannosamine
2-Amino-2-deoxy-D-mannose
ME529654
-
C03570
-
180.0869
Glucosamine
Glucosamine
ME529611
-
C00329
-
180.0870
n-Butyl a-Picolinate
-
ME529680
-
-
-
180.1026
Methionine sulfoximine
Methionine sulfoximine
ME529660
-
C03510
-
181.0642
Tyr
Tyrosine
ME529752
-
C00082
-
182.0819
Harman
Harman
ME529624
-
C09209
-
183.0922
Phosphorylcholine
Choline phosphate
ME529704
-
C00588
-
184.0742
Epinephrine
Epinephrine
ME529601
-
C00788
-
184.0978
N-alpha,N-alpha-Dimethylhistidine
N,N-Dimethylhistidine
ME529678
-
C04259
-
184.1085
N8-Acetylspermidine
N8-Acetylspermidine
ME529671
-
C01029
-
188.1745
N1-Acetylspermidine
N1-Acetylspermidine
ME529667
-
C00612
-
188.1763
Gly-Leu
Gly-Leu
ME529618
-
C02155
-
189.1240
N-epsilon-Acetyllysine
N6-Acetyllysine
ME529681
-
C02727
-
189.1243
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME529669
-
C03793
-
189.1601
Castanospermine
Castanospermine
ME529580
-
C02256
-
190.1079
5-Methoxytryptamine
5-Methoxytryptamine
ME529805
-
C05659
-
191.1184
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME529801
-
C05635
-
192.0666
SAH
S-Adenosylhomocysteine
ME529721
-
C00021
-
193.0688
Glucosaminate
Glucosaminic acid
ME529610
-
C03752
-
196.0826
DOPA
DOPA
ME529598
-
C00355
-
198.0768
N-Acetylhistidine
N-Acetylhistidine
ME529674
-
C02997
-
198.0883
SAM+
S-Adenosylmethionine
ME529722
-
C00019
-
200.0768
ADMA
Dimethylarginine
ME529545
-
C03626
-
203.1481
Arginine ethyl ester
Ethyl arginate
ME529560
-
C01404
-
203.1508
SDMA
Symmetric dimethylarginine
ME529724
-
-
-
203.1516
o-Acetylcarnitine
CAR 2:0
ME529692
-
C02571
-
204.1236
Trp
Tryptophan
ME529750
-
C00078
-
205.0977
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME529804
-
C05660
-
206.0816
Kynurenine
Kynurenine
ME529649
-
C00328
-
209.0929
Cysteine-glutathione disulphide
-
ME529591
-
-
-
214.0521
Desthiobiotin
Dethiobiotin
ME529595
-
C01909
-
215.1389
o-Succinylhomoserine
o-Succinylhomoserine
ME529698
-
C01118
-
220.0817
trans-Zeatin
trans-Zeatin
ME529741
-
C00371
-
220.1198
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME529803
-
C00643
-
221.0930
N-Acetylglucosylamine
N-Acetyl-beta-glucosaminylamine
ME529673
-
C01239
-
221.1126
N-Acetylglucosamine
N-Acetylglucosamine
ME529672
-
C00140
-
222.0978
Cystathionine
Cystathionine
ME529589
-
C02291
-
223.0763
3-Hydroxykynurenine
Hydroxykynurenine
ME529786
-
C02794
-
225.0875
2'-Deoxycytidine
Deoxycytidine
ME529774
-
C00881
-
228.0979
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME529666
-
-
-
230.1841
gamma-Glu-2AB
gamma-Glutamyl-2-aminobutanoate
ME529605
-
-
-
233.1140
Melatonin
Melatonin
ME529656
-
C01598
-
233.1293
Sepiapterin
Sepiapterin
ME529725
-
C00835
-
238.0941
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME529814
-
C02953
-
240.1096
Cystine
Cystine
ME529592
-
C00491
-
241.0319
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME529806
-
C03592
-
242.1146
Thymidine
Thymidine
ME529739
-
C00214
-
243.0990
Cytidine
Cytidine
ME529593
-
C00475
-
244.0933
Uridine
Uridine
ME529756
-
C00299
-
245.0797
Octopine
Octopine
ME529694
-
C04137
-
247.1312
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME529717
-
C00647
-
249.0637
gamma-Glu-cys
gamma-Glutamylcysteine
ME529606
-
C00669
-
251.0703
Muramate
Muramic acid
ME529662
-
C06470
-
252.1081
5'-Deoxyadenosine
5'-Deoxyadenosine
ME529800
-
C05198
-
252.1099
2'-Deoxyinosine
Deoxyinosine
ME529776
-
C05512
-
253.0871
Purine riboside
Nebularine
ME529712
-
C01736
-
253.0942
7,8-Dihydroneopterin
7,8-Dihydroneopterin
ME529815
-
C04874
-
256.1043
Glycerophosphorylcholine
sn-Glycero-3-phosphocholine
ME529616
-
C00670
-
258.1104
Thiamine
Thiamine
ME529736
-
C00378
-
265.1125
N6-Methyl-2'-deoxyadenosine
N6-Methyl-2'-deoxyadenosine
ME529670
-
C03795
-
266.1260
Adenosine
Adenosine
ME529544
-
C00212
-
268.1047
2'-Deoxyguanosine
Deoxyguanosine
ME529775
-
C00330
-
268.1060
Homocystine
Homocystine
ME529631
-
C01817
-
269.0638
Inosine
Inosine
ME529644
-
C00294
-
269.0887
Glu-Glu
Glu-Glu
ME529612
-
C01425
-
277.1073
Saccharopine
Saccharopine
ME529720
-
C00449
-
277.1401
1-Methyladenosine
1-Methyladenosine
ME529764
-
C02494
-
282.1202
Guanosine
Guanosine
ME529623
-
C00387
-
284.1004
Xanthosine
Xanthosine
ME529761
-
C01762
-
285.0830
Ophthalmate
Ophthalmic acid
ME529696
-
-
-
290.1351
Argininosuccinate
Argininosuccinic acid
ME529561
-
C03406
-
291.1301
5-Methylthioadenosine
5'-Methylthioadenosine
ME529809
-
C00170
-
298.0973
Glutathione(ox)
Oxidized glutathione
ME529613
-
C00127
-
307.0846
N-alpha-Benzenolarginine ethylester
Bz-Arg-OEt
ME529679
-
C01670
-
307.1771
3-Iodotyrosine
Iodotyrosine
ME529787
-
C02515
-
307.9782
Glutathione(red)
Glutathione
ME529614
-
C00051
-
308.0915
Phe-Phe
Phe-Phe
ME529703
-
-
-
313.1551
NMN
Nicotinamide ribotide
ME529688
-
C00455
-
335.0639
AICAR
AICAR
ME529547
-
C04677
-
339.0709
Thiamine monophosphate
Thiamine monophosphate
ME529737
-
C01081
-
345.0788
Tetrahydropalmatine
Tetrahydropalmatine
ME529735
-
C02890
-
356.1863
TRH
Thyrotropin releasing hormone
ME529742
-
C03958
-
363.1787
Riboflavin
Riboflavin
ME529719
-
C00255
-
377.1457
S-Lactoylglutathione
S-Lactoylglutathione
ME529728
-
C03451
-
380.1125
Leu-Leu-Tyr
Leu-Leu-Tyr
ME529651
-
C11331
-
408.2503
3,5-Diiodo-tyrosine
3,5-Diiodo-L-tyrosine
ME529780
-
C01060
-
433.8757
5-Methyltetrahydrofolate
5-Methyl-THF
ME529808
-
C00440
-
460.1979
Trimethylamine
Trimethylamine
ME529745
-
C00565
-
60.0816
Urea
Urea
ME529755
-
C00086
-
61.0403
3,3',5-Triiodothyronine
Liothyronine
ME529779
-
C02465
-
651.7977
Cyanocobalamin
Cyanocobalamin
ME529585
-
C02823
-
678.2938
Pyrazole
1H-pyrazole
ME529714
-
C00481
-
69.0462
3-Aminopropionitrile
-
ME529783
-
C05670
-
71.0610
Methylguanidine
Methylguanidine
ME529661
-
C02294
-
74.0720
Isobutylamine
-
ME529646
-
C02787
-
74.0974
1,3-Diaminopropane
1,3-Diaminopropane
ME529767
-
C00986
-
75.0928
Gly
Glycine
ME529615
-
C00037
-
76.0402
Isopropanolamine
Isopropanolamine
ME529648
-
C05771
-
76.0766
Trimethylamine N-oxide
Trimethylamine N-oxide
ME529746
-
C01104
-
76.0769
Hydroxyurea
Hydroxyurea
ME529634
-
C07044
-
77.0351
Trimethylsulfonium
Trimethyl sulfonium
ME529747
-
C01008
-
77.0427
Cysteamine
Cysteamine
ME529590
-
C01678
-
78.0377
Isoamylamine
3-Methyl-1-butylamine
ME529645
-
C02640
-
88.1124
Putrescine(1,4-Butanediamine)
Putrescine
ME529713
-
C00134
-
89.1078
beta-Ala
beta-Alanine
ME529567
-
C00099
-
90.0553
Sarcosine
Sarcosine
ME529723
-
C00213
-
90.0554
Ala
Alanine
ME529548
-
C00041
-
90.0557
3-Aminopropane-1,2-diol
(S)-3-Amino-1,2-propanediol
ME529782
-
C06057
-
92.0711
Aniline
Aniline
ME529556
-
C00292
-
94.0655
4-Hydroxymethylimidazole
Imidazole-4-methanol
ME529795
-
C05562
-
99.0560
Analysis: Other NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Oxobutyrate
3-Methyl pyruvic acid
ME530021
-
C00109
-
101.0254
3-Methylbutanoate
Isovaleric acid
ME530037
-
C08262
-
101.0625
Pentanoate
Valeric acid
ME529949
-
C00803
-
101.0626
Malonate
Malonic acid
ME529913
-
C00383
-
103.0053
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME530033
-
C01089
-
103.0413
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME530013
-
C05984
-
103.0415
2-Hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME530015
-
-
-
103.0420
(Methylthio)acetate
(Methylthio)acetic acid
ME529917
-
C03173
-
105.0038
Glycerate
Glyceric acid
ME529892
-
C00258
-
105.0209
Pyrrole-2-carboxylate
Pyrrole-2-carboxylic acid
ME529964
-
C05942
-
110.0260
Methyl sulfate
Methyl sulfate
ME529916
-
C02704
-
110.9776
2-Furoate
2-Furoic acid
ME530011
-
C01546
-
111.0105
Fumarate
Fumaric acid
ME529882
-
C00122
-
115.0055
2-Oxoisopentanoate
Ketoisovaleric acid
ME530023
-
C00141
-
115.0419
4-Oxopentanoate
Levulinic acid
ME530048
-
-
-
115.0419
Hexanoate
Caproic acid
ME529900
-
C01585
-
115.0775
Succinate
Succinic acid
ME529977
-
C00042
-
117.0210
2-Hydroxypentanoate
2-Hydroxyvaleric acid
ME530017
-
-
-
117.0569
Benzoate
Benzoic acid
ME529831
-
C00180
-
121.0312
Nicotinate
Nicotinic acid
ME529937
-
C00253
-
122.0268
2-Aminoethylphosphonate
Ciliatine
ME530008
-
C03557
-
124.0184
1-Aminoethylphosphonate
-
ME530001
-
C03782
-
124.0185
Isethionate
2-Hydroxyethanesulfonate
ME529906
-
C05123
-
124.9929
Barbiturate
Barbituric acid
ME529830
-
C00813
-
127.0164
Itaconate
Itaconic acid
ME529909
-
C00490
-
129.0208
Citraconate
Citraconic acid
ME529845
-
C02226
-
129.0213
4-Acetylbutyrate
5-Ketocaproic acid
ME530042
-
C02129
-
129.0574
4-Oxohexanoate
-
ME530047
-
-
-
129.0574
4-Methyl-2-oxopentanoate
Ketoleucine
ME530045
-
C00233
-
129.0575
Heptanoate
Heptylic acid
ME529899
-
C17714
-
129.0926
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME529921
-
C01073
-
130.0528
Glutarate
Glutaric acid
ME529891
-
C00489
-
131.0368
3-Ureidopropionate
Ureidopropionic acid
ME530041
-
C02642
-
131.0474
6-Hydroxyhexanoate
6-Hydroxycaproic acid
ME530050
-
C06103
-
131.0725
2-Hydroxy-4-methylpentanoate
D-Leucic acid
ME530012
-
C03264
-
131.0733
Malate
Malic acid
ME529912
-
C00711
-
133.0157
Threonate
Threonic acid
ME529984
-
C01620
-
135.0315
o-Hydroxybenzoate
Salicylic acid
ME529940
-
C00805
-
137.0263
m-Hydroxybenzoate
3-Hydroxybenzoic acid
ME529918
-
C00587
-
137.0264
p-Hydroxybenzoate
4-Hydroxybenzoic acid
ME529956
-
C00156
-
137.0264
Phosphonoacetate
Phosphonoacetate
ME529954
-
C05682
-
138.9816
Carbamoylphosphate
Carbamoylphosphate
ME529838
-
C00169
-
139.9769
2-Thiopheneacetate
2-Thienylacetic acid
ME530027
-
C02595
-
141.0039
Octanoate
Caprylic acid
ME529939
-
C06423
-
143.1088
2-Oxoglutarate
2-Oxoglutaric acid
ME530022
-
C00026
-
145.0158
Adipate
Adipic acid
ME529822
-
C06104
-
145.0520
4-Methylthio-2-oxobutyrate
2-Oxo-4-methylthiobutanoic acid
ME530046
-
C01180
-
147.0135
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME530014
-
C02630
-
147.0312
Citramalate
Citramalic acid
ME529846
-
C02614
-
147.0314
trans-Cinnamate
trans-Cinnamic acid
ME529988
-
C00423
-
147.0471
Tartrate
Tartaric acid
ME529980
-
C00898
-
149.0112
Benzoylformate
Phenylglyoxylic acid
ME529832
-
C02137
-
149.0258
3-Phenylpropionate
Hydrocinnamic acid
ME530040
-
C05629
-
149.0628
2-Hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME530018
-
C05852
-
151.0418
p-Hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME529957
-
C00642
-
151.0419
Cysteine sulfinate
3-Sulfino-alanine
ME529855
-
C00606
-
152.0034
2,5-Dihydroxybenzoate
Gentisic acid
ME530006
-
C00628
-
153.0211
2,4-Dihydroxypyrimidine-5-carboxylate
Uracil-5-carboxylic acid
ME530005
-
C03030
-
155.0115
Orotate
Orotic acid
ME529943
-
C00295
-
155.0121
Dihydroorotate
4,5-Dihydroorotic acid
ME529868
-
C00337
-
157.0273
2-Oxooctanoate
-
ME530024
-
-
-
157.0886
Pelargonate
Pelargonic acid
ME529948
-
C01601
-
157.1229
2-Oxoadipate
Oxoadipic acid
ME530020
-
C00322
-
159.0321
Pimelate
Pimelic acid
ME529958
-
C02656
-
159.0679
2-Hydroxyoctanoate
2-Hydroxyoctanoic acid
ME530016
-
-
-
159.1045
N-Formylaspartate
N-Formyl-aspartic acid
ME529935
-
C01044
-
160.0271
3-Hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME530032
-
C03761
-
161.0476
Phenylpyruvate
Phenylpyruvic acid
ME529953
-
C00166
-
163.0421
o-Coumarate
trans-o-Coumaric acid
ME529938
-
C01772
-
163.0422
p-Coumarate
cis-p-Coumaric acid
ME529947
-
C00811
-
163.0423
Phthalate
Phthalic acid
ME529955
-
C01606
-
165.0218
Terephthalate
Terephthalic acid
ME529983
-
C06337
-
165.0219
3-Phenyllactate
Phenyllactic acid
ME530039
-
C05607
-
165.0561
3-(2-Hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME530028
-
C01198
-
165.0579
3-(4-Hydroxyphenyl)propionate
Desaminotyrosine
ME530029
-
C01744
-
165.0579
2,3-Pyridinedicarboxylate
Quinolinic acid
ME530004
-
C03722
-
166.0172
PEP
Phosphoenolpyruvic acid
ME529950
-
C00074
-
166.9776
Urate
Uric acid
ME529996
-
C00366
-
167.0237
4-Hydroxymandelate
4-Hydroxymandelic acid
ME530044
-
C11527
-
167.0376
Cysteate
Cysteic acid
ME529853
-
C00506
-
167.9988
2-Amino-3-phosphonopropionate
-
ME530007
-
C05672
-
168.0087
G3P
Glyceraldehyde 3-phosphate
ME529884
-
C00661
-
168.9929
DHAP
Dihydroxyacetone phosphate
ME529866
-
C00111
-
168.9936
Glycerophosphate
sn-Glycero-3-phosphate
ME529893
-
C00093
-
171.0078
Decanoate
Capric acid
ME529864
-
C01571
-
171.1409
2-Quinolinecarboxylate
Quinaldic acid
ME530026
-
C06325
-
172.0426
N-Acetylleucine
N-Acetylleucine
ME529925
-
C02710
-
172.0994
Phenyl phosphate
Phenyl phosphate
ME529952
-
C02734
-
173.0032
cis-Aconitate
cis-Aconitic acid
ME529844
-
C00417
-
173.0108
trans-Aconitate
trans-Aconitic acid
ME529987
-
C02341
-
173.0113
Shikimate
Shikimic acid
ME529974
-
C00493
-
173.0519
N-Acetylaspartate
N-Acetylaspartic acid
ME529920
-
C01042
-
174.0430
Carbamoylaspartate
Carbamoylaspartate
ME529837
-
C00438
-
175.0378
Allantoate
Allantoic acid
ME529826
-
C00499
-
175.0493
2-Isopropylmalate
2-Isopropylmalic acid
ME530019
-
C02504
-
175.0629
N-Formylmethionine
N-Formylmethionine
ME529936
-
C03145
-
176.0395
Hippurate
Hippuric acid
ME529901
-
C01586
-
178.0529
Homovanillate
Homovanillic acid
ME529902
-
C05582
-
181.0521
4-Pyridoxate
4-Pyridoxic acid
ME530049
-
C00847
-
182.0473
Serine O-sulfate
Serine-O-sulfate
ME529973
-
C02703
-
183.9939
O-Phosphoserine
Phosphoserine
ME529942
-
C01005
-
184.0043
2PG
2-Phosphoglyceric acid
ME530025
-
C00631
-
184.9882
3PG
3-Phosphoglyceric acid
ME530038
-
C00197
-
184.9882
Undecanoate
Undecylic acid
ME529995
-
C17715
-
185.1567
Azelate
Azelaic acid
ME529829
-
C08261
-
187.0998
10-Hydroxydecanoate
10-Hydroxydecanoic acid
ME530052
-
C02774
-
187.1364
N-Acetylglutamate
N-Acetylglutamic acid
ME529924
-
C00624
-
188.0584
N-Carbamylglutamate
Carglumic acid
ME529934
-
C05829
-
189.0542
N-Acetylmethionine
N-Acetylmethionine
ME529926
-
C02712
-
190.0570
Citrate
Citric acid
ME529847
-
C00158
-
191.0208
Isocitrate
Isocitric acid
ME529908
-
C00311
-
191.0215
Quinate
Quinic acid
ME529966
-
C00296
-
191.0582
Phenaceturate
Phenylacetylglycine
ME529951
-
C05598
-
192.0685
Glucuronate
Glucuronic acid
ME530053
-
C00191
-
193.0366
trans-4-Hydroxy-3-methoxycinnamate
trans-Ferulic acid
ME529986
-
C01494
-
193.0511
o-Hydroxyhippurate
Salicyluric acid
ME529941
-
C07588
-
194.0485
Gluconate
Gluconic acid
ME529889
-
C00257
-
195.0535
Syringate
Syringic acid
ME529979
-
C10833
-
197.0474
4-Hydroxy-3-methoxymandelate
Vanillylmandelic acid
ME530043
-
C05584
-
197.0476
Dodecanoate
Lauric acid
ME529871
-
C02679
-
199.1723
Cysteine S-sulfate
Cysteine-S-sulfate
ME529854
-
C05824
-
199.9715
Sebacate
Sebacic acid
ME529972
-
C08277
-
201.1155
3-Indolebutyrate
3-Indolebutyric acid
ME530035
-
C11284
-
202.0899
Xanthurenate
Xanthurenic acid
ME529998
-
C02470
-
204.0321
Indolelactate
Indolelactic acid
ME529905
-
C02043
-
204.0689
N-Acetylphenylalanine
N-Acetylphenylalanine
ME529929
-
C03519
-
206.0832
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME529833
-
C09816
-
207.0692
Mucate
Galactaric acid
ME529919
-
C00879
-
209.0328
Saccharate
Glucaric acid
ME529971
-
C00818
-
209.0329
3-Indoxyl sulfate
Indoxyl sulfate
ME530036
-
-
-
212.0051
2-Deoxyribose 1-phosphate
Deoxyribose 1-phosphate
ME530010
-
C00672
-
213.0195
Pantothenate
Pantothenic acid
ME529946
-
C00864
-
218.1057
Sinapate
Sinapic acid
ME529975
-
C00482
-
223.0640
Porphobilinogen
Porphobilinogen
ME529959
-
C00931
-
225.0907
Ru5P
Ribulose 5-phosphate
ME529969
-
C00199
-
229.0140
R5P
Ribose 5-phosphate
ME529967
-
C00117
-
229.0145
Dodecanedioate
Dodecanedioic acid
ME529870
-
C02678
-
229.1473
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME530009
-
C06369
-
243.0302
Biotin
Biotin
ME529834
-
C00120
-
243.0835
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME529890
-
C00352
-
258.0412
F6P
Fructose 6-phosphate
ME529879
-
C00085
-
259.0243
G1P
Glucose 1-phosphate
ME529883
-
C00103
-
259.0248
G6P
Glucose 6-phosphate
ME529885
-
C00092
-
259.0248
Sorbitol 6-phosphate
Pseudouridine
ME529976
-
C01096
-
261.0407
2,3-DPG
2,3-Diphosphoglyceric acid
ME530003
-
C01159
-
264.9547
Galacturonate 1-phosphate
-
ME529886
-
C04037
-
273.0051
6-Phosphogluconate
6-Phosphogluconic acid
ME530051
-
C00345
-
275.0206
S7P
Sedoheptulose 7-phosphate
ME529970
-
C05382
-
289.0363
N-Acetylmuramate
N-Acetylmuramic acid
ME529927
-
C02713
-
292.1066
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME529923
-
C00357
-
300.0522
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME529922
-
C04501
-
300.0525
2',3'-cCMP
2',3' cyclic CMP
ME530002
-
C02354
-
304.0372
dCMP
dCMP
ME529861
-
C00239
-
306.0523
dUMP
dUMP
ME529876
-
C00365
-
307.0367
N-Acetylneuraminate
N-Acetylneuraminic acid
ME529928
-
C00270
-
308.1019
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME529968
-
C01182
-
308.9813
3',5'-Cyclic dAMP
-
ME530030
-
C00968
-
312.0534
dTMP
dTMP
ME529873
-
C00364
-
321.0524
CMP
CMP
ME529848
-
C00055
-
322.0479
UMP
UMP
ME529994
-
C00105
-
323.0304
cAMP
3',5' cyclic AMP
ME529836
-
C00575
-
328.0482
cIMP
-
ME529843
-
C00943
-
329.0320
dAMP
dAMP
ME529857
-
C00360
-
330.0635
F1,6P
Fructose 1,6-bisphosphate
ME529878
-
C00354
-
338.9921
cGMP
3',5' cyclic GMP
ME529841
-
C00942
-
344.0435
3'-AMP
3'-AMP
ME530031
-
C01367
-
346.0589
AMP
AMP
ME529827
-
C00020
-
346.0591
IMP
IMP
ME529904
-
C00130
-
347.0432
Prostaglandin E2
PGE2
ME529961
-
C00584
-
351.2180
Prostaglandin F2alpha
PGF2alpha
ME529962
-
C00639
-
353.2370
GMP
GMP
ME529897
-
C00144
-
362.0531
XMP
XMP
ME529999
-
C00655
-
363.0382
Orotidine 5'-monophosphate
Orotidylic acid
ME529944
-
C01103
-
367.0219
Digalacturonate
Digalacturonic acid
ME529867
-
C02273
-
369.0712
NADPH
NADPH
ME529933
-
C00005
-
371.5425
CoA
Coenzyme A
ME529850
-
C00010
-
382.5545
dCDP
dCDP
ME529860
-
C00705
-
386.0193
dUDP
dUDP
ME529875
-
C01346
-
387.0037
PRPP
Phosphoribosyl pyrophosphate
ME529963
-
C00119
-
388.9481
DCA
Deoxycholic acid
ME529859
-
C04483
-
391.2891
dTDP
dTDP
ME529872
-
C00363
-
401.0189
CDP
CDP
ME529839
-
C00112
-
402.0143
UDP
UDP
ME529990
-
C00015
-
402.9984
Acetyl CoA
Acetyl-CoA
ME529818
-
C00024
-
403.5596
Cholate
Cholic acid
ME529842
-
C00695
-
407.2850
dADP
dADP
ME529856
-
C00206
-
410.0305
P1, P4-Di(adenosine-5') tetraphosphate
-
ME529945
-
C01260
-
417.0211
Isobutyryl CoA
Isobutyryl-CoA
ME529907
-
C00630
-
417.5753
Trehalose 6-phosphate
Trehalose 6-phosphate
ME529989
-
C00689
-
421.0801
Malonyl CoA
Malonyl-CoA
ME529914
-
C00083
-
425.5549
Adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME529820
-
C00224
-
426.0159
ADP
ADP
ME529823
-
C00008
-
426.0256
Adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME529819
-
C00054
-
426.0257
IDP
IDP
ME529903
-
C00104
-
427.0098
Succinyl CoA
Succinyl-CoA
ME529978
-
C00091
-
432.5622
Folate
Folic acid
ME529881
-
C00504
-
440.1354
GDP
GDP
ME529887
-
C00035
-
442.0207
Adenylosuccinate
Adenylsuccinic acid
ME529821
-
C03794
-
462.0703
Glycocholate
Glycocholic acid
ME529894
-
C01921
-
464.3029
dCTP
dCTP
ME529862
-
C00458
-
465.9862
dUTP
dUTP
ME529877
-
C00460
-
466.9697
dTTP
dTTP
ME529874
-
C00459
-
480.9859
CTP
CTP
ME529852
-
C00063
-
481.9809
UTP
UTP
ME529997
-
C00075
-
482.9648
dATP
dATP
ME529858
-
C00131
-
489.9966
dITP
dITP
ME529869
-
C01345
-
490.9807
dGTP
dGTP
ME529865
-
C00286
-
505.9920
ATP
ATP
ME529828
-
C00002
-
505.9922
ITP
ITP
ME529910
-
C00081
-
506.9760
Taurocholate
Taurocholic acid
ME529981
-
C05122
-
514.2878
GTP
GTP
ME529898
-
C00044
-
521.9867
XTP
Xanthosine 5-triphosphate
ME530000
-
C00700
-
522.9712
CDP-choline
CDP-choline
ME529840
-
C00307
-
547.1238
ADP-ribose
ADP-ribose
ME529825
-
C00301
-
558.0678
TDP-glucose
dTDP-glucose
ME529982
-
C00842
-
563.0722
UDP-glucose
UDP-glucose
ME529991
-
C00029
-
565.0513
UDP-glucuronate
UDP-glucuronic acid
ME529992
-
C00167
-
579.0304
ADP-glucose
ADP-glucose
ME529824
-
C00498
-
588.0783
GDP-mannose
GDP-mannose
ME529888
-
C00096
-
604.0733
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME529993
-
C00043
-
606.0777
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME529849
-
C00128
-
613.1431
NAD+
NAD
ME529930
-
C00003
-
662.1051
Deamido-NAD+
Nicotinic acid adenine dinucleotide
ME529863
-
C00857
-
663.0892
NADH
NADH
ME529931
-
C00004
-
664.1206
Glyoxylate
Glyoxylic acid
ME529896
-
C00048
-
72.9943
Propionate
Propionic acid
ME529960
-
C00163
-
73.0309
NADP+
NADP
ME529932
-
C00006
-
742.0722
Glycolate
Glycolic acid
ME529895
-
C00160
-
75.0101
FAD
FAD
ME529880
-
C00016
-
784.1541
Crotonate
Crotonic acid
ME529851
-
C01771
-
85.0314
Pyruvate
Pyruvic acid
ME529965
-
C00022
-
87.0102
Butyrate
Butyric acid
ME529835
-
C00246
-
87.0468
3-Hydroxypropionate
Hydroxypropionic acid
ME530034
-
C01013
-
89.0261
Lactate
Lactic acid
ME529911
-
C00186
-
89.0264
Methanesulfonate
Methanesulfonic acid
ME529915
-
C11145
-
94.9829
Tiglate
Tiglic acid
ME529985
-
C08279
-
99.0461
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