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Return to study ST002171 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
ME530276
-
C11118
-
100.0763
Cyclohexylamine
Cyclohexylamine
ME530098
-
C00571
-
100.1129
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME530275
-
C01234
-
102.0557
Betaine aldehyde
Betaine aldehyde
ME530084
-
C00576
-
102.0908
Spermine
Spermine
ME530243
-
C00750
-
102.1153
Hexylamine
Hexylamine
ME530137
-
C08306
-
102.1281
Cadaverine
Cadaverine
ME530088
-
C01672
-
103.1237
GABA
gamma-Aminobutyric acid
ME530115
-
C00334
-
104.0711
2AB
2S-Aminobutyric acid
ME530284
-
C02356
-
104.0712
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME530294
-
C05145
-
104.0713
N-Methylalanine
N-Methylalanine
ME530197
-
C02721
-
104.0713
N,N-Dimethylglycine
Dimethylglycine
ME530176
-
C01026
-
104.0714
Choline
Choline
ME530093
-
C00114
-
104.1076
2,3-Diaminopropionate
2,3-Diaminopropionic acid
ME530281
-
C06393
-
105.0665
Ser
Serine
ME530238
-
C00065
-
106.0503
Diethanolamine
Diethanolamine
ME530108
-
C06772
-
106.0867
N-Methylaniline
N-Methylaniline
ME530198
-
C02299
-
108.0813
beta-Ala-Lys
-
ME530080
-
C05341
-
109.5789
Hypotaurine
Hypotaurine
ME530147
-
C00519
-
110.0274
2-Aminophenol
2-Aminophenol
ME530286
-
C01987
-
110.0603
Cytosine
Cytosine
ME530106
-
C00380
-
112.0509
Histamine
Histamine
ME530139
-
C00388
-
112.0865
Uracil
Uracil
ME530266
-
C00106
-
113.0346
Carnosine
Carnosine
ME530091
-
C00386
-
114.0611
Creatinine
Creatinine
ME530096
-
C00791
-
114.0665
Dihydrouracil
Dihydrouracil
ME530109
-
C00429
-
115.0447
beta-Cyanoalanine
Cyanoalanine
ME530081
-
C02512
-
115.0505
Muscimol
Muscimol
ME530175
-
C08311
-
115.0509
Pro
Proline
ME530219
-
C00148
-
116.0711
Guanidinoacetate
Guanidoacetic acid
ME530132
-
C00581
-
118.0612
5-Aminovalerate
5-Aminopentanoic acid
ME530312
-
C00431
-
118.0868
Val
Valine
ME530270
-
C00183
-
118.0868
Betaine
Betaine
ME530083
-
C00719
-
118.0869
Benzimidazole
1H-Benzimidazole
ME530078
-
C02009
-
119.0605
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME530282
-
C03283
-
119.0820
Alpha-Methylserine
Alpha-Methylserine
ME530066
-
C02115
-
120.0659
Thr
Threonine
ME530250
-
C00188
-
120.0659
4-Amino-3-hydroxybutyrate
-
ME530306
-
C03678
-
120.0661
Homoserine
Homoserine
ME530144
-
C00263
-
120.0661
Purine
Purine
ME530223
-
C15587
-
121.0520
Anserine
Anserine
ME530069
-
C01262
-
121.0685
Homocarnosine
Homocarnosine
ME530141
-
C00884
-
121.0685
Benzamidine
Benzamidine
ME530077
-
C01784
-
121.0766
Cys
Cysteine
ME530099
-
C00097
-
122.0275
Benzamide
Benzamide
ME530076
-
C09815
-
122.0603
Phenethylamine
Phenylethylamine
ME530213
-
C05332
-
122.0968
2,4-Dimethylaniline
2,4-Dimethylaniline
ME530283
-
C11003
-
122.0969
alpha-Methylbenzylamine
-
ME530065
-
C02455
-
122.0969
Isonicotinamide
-
ME530159
-
C02421
-
123.0552
Nicotinamide
Niacinamide
ME530195
-
C00153
-
123.0556
Picolinamide
Picolinamide
ME530217
-
C01950
-
123.0556
N1-Acetylspermine
N1-Acetylspermine
ME530180
-
C02567
-
123.1208
3-Chloroalanine
-
ME530297
-
C02635
-
124.0161
Taurine
Taurine
ME530245
-
C00245
-
126.0224
5-Methylcytosine
5-Methylcytosine
ME530320
-
C02376
-
126.0664
1-Methylhistamine
1-Methylhistamine
ME530278
-
C05127
-
126.1029
Imidazole-4-acetate
Imidazoleacetic acid
ME530151
-
C02835
-
127.0505
Thymine
Thymine
ME530252
-
C00178
-
127.0511
Melamine
Melamine
ME530167
-
C08737
-
127.0726
5-Oxoproline
Pyroglutamic acid
ME530323
-
C01879
-
128.0367
1-Amino-1-cyclopentanecarboxylate
1-Azaniumylcyclopentane-1-carboxylate
ME530274
-
C03969
-
130.0865
Pipecolate
Pipecolic acid
ME530218
-
C00408
-
130.0865
Metformin
Metformin
ME530170
-
C07151
-
130.1092
Octylamine
Octylamine
ME530207
-
C01740
-
130.1596
N-Acetylputrescine
N-Acetylputrescine
ME530188
-
C02714
-
131.1183
Agmatine
Agmatine
ME530058
-
C00179
-
131.1297
Hydroxyproline
Hydroxyproline
ME530145
-
C01015
-
132.0656
5-Aminolevulinate
5-Amino-levulinic acid
ME530311
-
C00430
-
132.0657
Creatine
Creatine
ME530095
-
C00300
-
132.0772
Ile
Isoleucine
ME530150
-
C00407
-
132.1023
Leu
Leucine
ME530162
-
C00123
-
132.1023
6-Aminohexanoate
Aminocaproic acid
ME530324
-
C02378
-
132.1024
beta-Leucine
beta-Leucine
ME530085
-
C02486
-
132.1035
Bis(3-aminopropyl)amine
Norspermidine
ME530087
-
C03375
-
132.1498
Asn
Asparagine
ME530074
-
C00152
-
133.0612
Gly-Gly
Gly-Gly
ME530129
-
C02037
-
133.0614
Ornithine
Ornithine
ME530209
-
C00077
-
133.0975
Asp
Aspartic acid
ME530075
-
C00049
-
134.0453
2-Aminobenzimidazole
-
ME530285
-
C10901
-
134.0719
Homocysteine
Homocysteine
ME530142
-
C00155
-
136.0431
Adenine
Adenine
ME530055
-
C00147
-
136.0622
Hypoxanthine
Hypoxanthine
ME530148
-
C00262
-
137.0460
1-Methylnicotinamide
1-Methyl nicotinamide
ME530279
-
C02918
-
137.0707
Anthranilate
2-Aminobenzoic acid
ME530070
-
C00108
-
138.0551
p-Aminobenzoate
p-Aminobenzoic acid
ME530211
-
C00568
-
138.0551
Trigonelline
Trigonelline
ME530256
-
C01004
-
138.0551
Tyramine
Tyramine
ME530265
-
C00483
-
138.0917
Phenylethanolamine
2-Hydroxyphenethylamine
ME530214
-
C02735
-
138.0918
Urocanate
Urocanic acid
ME530269
-
C00785
-
139.0505
Ethanolamine phosphate
Phosphoethanolamine
ME530114
-
C00346
-
140.0132
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME530325
-
C01020
-
140.0348
Tropinone
Tropinone
ME530261
-
C00783
-
140.1072
Histidinol
L-Histidinol
ME530140
-
C00860
-
142.0980
Tropine
Pseudotropine
ME530260
-
C00729
-
142.1233
Ectoine
Ectoine
ME530112
-
C06231
-
143.0822
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME530309
-
C04294
-
144.0479
Proline betaine
Proline betaine
ME530220
-
C10172
-
144.1024
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME530177
-
C03413
-
144.1256
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME530119
-
C01035
-
146.0929
Acetylcholine
Acetylcholine
ME530054
-
C01996
-
146.1177
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME530116
-
C01181
-
146.1177
Lysinamide
Lysinamide
ME530165
-
C01930
-
146.1297
Spermidine
Spermidine
ME530242
-
C00315
-
146.1657
Gln
Glutamine
ME530120
-
C00064
-
147.0765
5,6-Dimethylbenzimidazole
Dimethylbenzimidazole
ME530310
-
C03114
-
147.0923
Lys
Lysine
ME530164
-
C00047
-
147.1130
Trientine
Trientine
ME530255
-
C07166
-
147.1610
O-Acetylserine
O-Acetylserine
ME530205
-
C00979
-
148.0606
Glu
Glutamic acid
ME530121
-
C00025
-
148.0607
Nornicotine
Nornicotine
ME530203
-
C06524
-
149.1074
Met
Methionine
ME530169
-
C00073
-
150.0585
3-Methyladenine
3-Methyladenine
ME530302
-
C00913
-
150.0776
6-Methylaminopurine
6-Methyladenine
ME530326
-
C08434
-
150.0778
Guanine
Guanine
ME530134
-
C00242
-
152.0574
Amantadine
Loratadine
ME530067
-
C06818
-
152.1434
Xanthine
Xanthine
ME530271
-
C00385
-
153.0413
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME530298
-
C00632
-
154.0504
4-Aminosalicylate
Aminosalicylic acid
ME530307
-
C02518
-
154.0507
Dopamine
Dopamine
ME530111
-
C03758
-
154.0871
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME530305
-
C05135
-
154.0977
Pseudopelletierine
psi-Pelletierine
ME530221
-
C10865
-
154.1233
His
Histidine
ME530138
-
C00135
-
156.0773
beta-Imidazolelactate
Imidazolelactic acid
ME530082
-
C05568
-
157.0612
Ibotenate
-
ME530149
-
C10600
-
159.0403
Allantoin
Allantoin
ME530062
-
C01551
-
159.0519
Indole-3-acetaldehyde
Indoleacetaldehyde
ME530152
-
C00637
-
160.0710
Betonicine
Betonicine
ME530086
-
C08269
-
160.0973
N-Acetylvaline
N-Acetylvaline
ME530189
-
-
-
160.0976
Ala-Ala
Ala-Ala
ME530061
-
C00993
-
161.0925
Tryptamine
Tryptamine
ME530263
-
C00398
-
161.1082
alpha-Aminoadipate
Aminoadipic acid
ME530064
-
C00956
-
162.0765
N-Methylglutamate
N-Methyl-glutamic acid
ME530199
-
C01046
-
162.0765
Indole-3-ethanol
Tryptophanol
ME530155
-
C00955
-
162.0924
Carnitine
Carnitine
ME530090
-
C00318
-
162.1127
5-Hydroxylysine
5-Hydroxylysine
ME530315
-
C16741
-
163.1083
2-Deoxystreptamine
2-Deoxystreptamine
ME530290
-
C02627
-
163.1085
Nicotine
Nicotine
ME530196
-
C00745
-
163.1231
Pterin
Pterin
ME530222
-
C00715
-
164.0570
S-Methylmethionine
S-Methylmethionine
ME530241
-
C03172
-
164.0747
Methionine sulfoxide
Methionine sulfoxide
ME530171
-
C02989
-
166.0531
3-Methylguanine
3-Methylguanine
ME530303
-
C02230
-
166.0727
7-Methylguanine
7-Methylguanine
ME530329
-
C02242
-
166.0727
Phe
Phenylalanine
ME530212
-
C00079
-
166.0869
Taurocyamine
Taurocyamine
ME530246
-
C01959
-
168.0432
Pyridoxal
Pyridoxal
ME530227
-
C00250
-
168.0662
3-Methoxytyramine
3-Methoxytyramine
ME530301
-
C05587
-
168.1017
Synephrine
Synephrine
ME530244
-
C04548
-
168.1025
Pyridoxamine
Pyridoxamine
ME530228
-
C00534
-
169.0974
Noradrenaline
Xi-Norepinephrine
ME530202
-
C00547
-
170.0818
Pyridoxine
Pyridoxine
ME530230
-
C00314
-
170.0818
3-Methylhistidine
3-Methylhistidine
ME530304
-
C01152
-
170.0929
Indole-3-acetamide
1H-Indole-3-acetamide
ME530153
-
C02693
-
175.0875
N-gamma-Ethylglutamine
N(5)-Ethyl-glutamine
ME530194
-
C01047
-
175.1081
N-Acetylornithine
N-Acetylornithine
ME530187
-
C00437
-
175.1083
Arg
Arginine
ME530071
-
C00062
-
175.1192
Gramine
-
ME530131
-
C08304
-
175.1234
N-omega-Methyltryptamine
N-Methyltryptamine
ME530201
-
C06213
-
175.1236
Guanidinosuccinate
Guanidinosuccinic acid
ME530133
-
C03139
-
176.0672
Indole-3-acetate
Indoleacetic acid
ME530154
-
C00954
-
176.0699
2-Guanidinobenzimidazole
2-Guanidinobenzimidazole
ME530291
-
C10898
-
176.0935
Citrulline
Citrulline
ME530094
-
C00327
-
176.1034
Canavanine
Canavanine
ME530089
-
C00308
-
177.0987
Serotonin
Serotonin
ME530239
-
C00780
-
177.1031
Alliin
Alliin
ME530063
-
C08265
-
178.0540
Cys-Gly
Cys-Gly
ME530100
-
C01419
-
179.0492
Xanthopterin
Xanthopterin
ME530272
-
-
-
180.0515
Mannosamine
2-Amino-2-deoxy-D-mannose
ME530166
-
C03570
-
180.0868
Glucosamine
Glucosamine
ME530123
-
C00329
-
180.0873
n-Butyl a-Picolinate
-
ME530192
-
-
-
180.1026
Methionine sulfoximine
Methionine sulfoximine
ME530172
-
C03510
-
181.0642
Tyr
Tyrosine
ME530264
-
C00082
-
182.0822
Harman
Harman
ME530136
-
C09209
-
183.0922
Phosphorylcholine
Choline phosphate
ME530216
-
C00588
-
184.0743
Epinephrine
Epinephrine
ME530113
-
C00788
-
184.0979
N-alpha,N-alpha-Dimethylhistidine
N,N-Dimethylhistidine
ME530190
-
C04259
-
184.1085
N8-Acetylspermidine
N8-Acetylspermidine
ME530183
-
C01029
-
188.1761
N1-Acetylspermidine
N1-Acetylspermidine
ME530179
-
C00612
-
188.1763
N-epsilon-Acetyllysine
N6-Acetyllysine
ME530193
-
C02727
-
189.1239
Gly-Leu
Gly-Leu
ME530130
-
C02155
-
189.1241
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME530181
-
C03793
-
189.1549
Castanospermine
Castanospermine
ME530092
-
C02256
-
190.1083
5-Methoxytryptamine
5-Methoxytryptamine
ME530318
-
C05659
-
191.1187
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME530314
-
C05635
-
192.0662
SAH
S-Adenosylhomocysteine
ME530233
-
C00021
-
193.0689
Glucosaminate
Glucosaminic acid
ME530122
-
C03752
-
196.0824
DOPA
DOPA
ME530110
-
C00355
-
198.0771
N-Acetylhistidine
N-Acetylhistidine
ME530186
-
C02997
-
198.0881
SAM+
S-Adenosylmethionine
ME530234
-
C00019
-
200.0764
ADMA
Dimethylarginine
ME530057
-
C03626
-
203.1480
SDMA
Symmetric dimethylarginine
ME530236
-
-
-
203.1508
Arginine ethyl ester
Ethyl arginate
ME530072
-
C01404
-
203.1511
o-Acetylcarnitine
CAR 2:0
ME530204
-
C02571
-
204.1237
Trp
Tryptophan
ME530262
-
C00078
-
205.0977
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME530317
-
C05660
-
206.0813
Kynurenine
Kynurenine
ME530161
-
C00328
-
209.0932
Cysteine-glutathione disulphide
-
ME530103
-
-
-
214.0520
Desthiobiotin
Dethiobiotin
ME530107
-
C01909
-
215.1391
o-Succinylhomoserine
o-Succinylhomoserine
ME530210
-
C01118
-
220.0823
trans-Zeatin
trans-Zeatin
ME530253
-
C00371
-
220.1200
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME530316
-
C00643
-
221.0935
N-Acetylglucosylamine
N-Acetyl-beta-glucosaminylamine
ME530185
-
C01239
-
221.1136
N-Acetylglucosamine
N-Acetylglucosamine
ME530184
-
C00140
-
222.0983
Cystathionine
Cystathionine
ME530101
-
C02291
-
223.0758
3-Hydroxykynurenine
Hydroxykynurenine
ME530299
-
C02794
-
225.0873
2'-Deoxycytidine
Deoxycytidine
ME530287
-
C00881
-
228.0989
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME530178
-
-
-
230.1872
gamma-Glu-2AB
gamma-Glutamyl-2-aminobutanoate
ME530117
-
-
-
233.1139
Melatonin
Melatonin
ME530168
-
C01598
-
233.1293
Sepiapterin
Sepiapterin
ME530237
-
C00835
-
238.0944
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME530327
-
C02953
-
240.1098
Cystine
Cystine
ME530104
-
C00491
-
241.0323
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME530319
-
C03592
-
242.1145
Thymidine
Thymidine
ME530251
-
C00214
-
243.0983
Cytidine
Cytidine
ME530105
-
C00475
-
244.0940
Uridine
Uridine
ME530268
-
C00299
-
245.0781
Octopine
Octopine
ME530206
-
C04137
-
247.1412
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME530229
-
C00647
-
249.0638
gamma-Glu-cys
gamma-Glutamylcysteine
ME530118
-
C00669
-
251.0705
Muramate
Muramic acid
ME530174
-
C06470
-
252.1083
5'-Deoxyadenosine
5'-Deoxyadenosine
ME530313
-
C05198
-
252.1097
2'-Deoxyinosine
Deoxyinosine
ME530289
-
C05512
-
253.0871
Purine riboside
Nebularine
ME530224
-
C01736
-
253.0942
7,8-Dihydroneopterin
7,8-Dihydroneopterin
ME530328
-
C04874
-
256.1044
Glycerophosphorylcholine
sn-Glycero-3-phosphocholine
ME530128
-
C00670
-
258.1109
Thiamine
Thiamine
ME530248
-
C00378
-
265.1125
N6-Methyl-2'-deoxyadenosine
N6-Methyl-2'-deoxyadenosine
ME530182
-
C03795
-
266.1260
Adenosine
Adenosine
ME530056
-
C00212
-
268.1051
2'-Deoxyguanosine
Deoxyguanosine
ME530288
-
C00330
-
268.1053
Homocystine
Homocystine
ME530143
-
C01817
-
269.0630
Inosine
Inosine
ME530156
-
C00294
-
269.0888
Glu-Glu
Glu-Glu
ME530124
-
C01425
-
277.1042
Saccharopine
Saccharopine
ME530232
-
C00449
-
277.1398
1-Methyladenosine
1-Methyladenosine
ME530277
-
C02494
-
282.1200
Guanosine
Guanosine
ME530135
-
C00387
-
284.1002
Xanthosine
Xanthosine
ME530273
-
C01762
-
285.0819
Ophthalmate
Ophthalmic acid
ME530208
-
-
-
290.1355
Argininosuccinate
Argininosuccinic acid
ME530073
-
C03406
-
291.1311
5-Methylthioadenosine
5'-Methylthioadenosine
ME530322
-
C00170
-
298.0972
Glutathione(ox)
Oxidized glutathione
ME530125
-
C00127
-
307.0844
N-alpha-Benzenolarginine ethylester
Bz-Arg-OEt
ME530191
-
C01670
-
307.1769
3-Iodotyrosine
Iodotyrosine
ME530300
-
C02515
-
307.9782
Glutathione(red)
Glutathione
ME530126
-
C00051
-
308.0919
Phe-Phe
Phe-Phe
ME530215
-
-
-
313.1555
NMN
Nicotinamide ribotide
ME530200
-
C00455
-
335.0644
AICAR
AICAR
ME530059
-
C04677
-
339.0706
Thiamine monophosphate
Thiamine monophosphate
ME530249
-
C01081
-
345.0786
Tetrahydropalmatine
Tetrahydropalmatine
ME530247
-
C02890
-
356.1869
TRH
Thyrotropin releasing hormone
ME530254
-
C03958
-
363.1785
Riboflavin
Riboflavin
ME530231
-
C00255
-
377.1465
S-Lactoylglutathione
S-Lactoylglutathione
ME530240
-
C03451
-
380.1135
Leu-Leu-Tyr
Leu-Leu-Tyr
ME530163
-
C11331
-
408.2508
3,5-Diiodo-tyrosine
3,5-Diiodo-L-tyrosine
ME530293
-
C01060
-
433.8751
5-Methyltetrahydrofolate
5-Methyl-THF
ME530321
-
C00440
-
460.1924
Trimethylamine
Trimethylamine
ME530257
-
C00565
-
60.0817
Urea
Urea
ME530267
-
C00086
-
61.0403
3,3',5-Triiodothyronine
Liothyronine
ME530292
-
C02465
-
651.7980
Cyanocobalamin
Cyanocobalamin
ME530097
-
C02823
-
678.2910
Pyrazole
1H-pyrazole
ME530226
-
C00481
-
69.0464
3-Aminopropionitrile
-
ME530296
-
C05670
-
71.0609
Methylguanidine
Methylguanidine
ME530173
-
C02294
-
74.0720
Isobutylamine
-
ME530158
-
C02787
-
74.0974
1,3-Diaminopropane
1,3-Diaminopropane
ME530280
-
C00986
-
75.0927
Gly
Glycine
ME530127
-
C00037
-
76.0403
Isopropanolamine
Isopropanolamine
ME530160
-
C05771
-
76.0768
Trimethylamine N-oxide
Trimethylamine N-oxide
ME530258
-
C01104
-
76.0768
Hydroxyurea
Hydroxyurea
ME530146
-
C07044
-
77.0355
Trimethylsulfonium
Trimethyl sulfonium
ME530259
-
C01008
-
77.0428
Cysteamine
Cysteamine
ME530102
-
C01678
-
78.0373
Isoamylamine
3-Methyl-1-butylamine
ME530157
-
C02640
-
88.1124
Putrescine(1,4-Butanediamine)
Putrescine
ME530225
-
C00134
-
89.1082
beta-Ala
beta-Alanine
ME530079
-
C00099
-
90.0554
Sarcosine
Sarcosine
ME530235
-
C00213
-
90.0554
Ala
Alanine
ME530060
-
C00041
-
90.0555
3-Aminopropane-1,2-diol
(S)-3-Amino-1,2-propanediol
ME530295
-
C06057
-
92.0711
Aniline
Aniline
ME530068
-
C00292
-
94.0655
4-Hydroxymethylimidazole
Imidazole-4-methanol
ME530308
-
C05562
-
99.0561
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
ME530533
-
C00109
-
101.0255
Malonate
Malonic acid
ME530426
-
C00383
-
103.0051
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME530525
-
C05984
-
103.0418
2-Hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME530527
-
-
-
103.0418
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME530545
-
C01089
-
103.0420
(Methylthio)acetate
(Methylthio)acetic acid
ME530430
-
C03173
-
105.0049
Glycerate
Glyceric acid
ME530405
-
C00258
-
105.0207
Pyrrole-2-carboxylate
Pyrrole-2-carboxylic acid
ME530476
-
C05942
-
110.0260
Methyl sulfate
Methyl sulfate
ME530429
-
C02704
-
110.9771
2-Furoate
2-Furoic acid
ME530523
-
C01546
-
111.0101
Fumarate
Fumaric acid
ME530394
-
C00122
-
115.0061
4-Oxopentanoate
Levulinic acid
ME530559
-
-
-
115.0415
2-Oxoisopentanoate
Ketoisovaleric acid
ME530535
-
C00141
-
115.0417
Hexanoate
Caproic acid
ME530413
-
C01585
-
115.0777
Succinate
Succinic acid
ME530489
-
C00042
-
117.0209
2-Hydroxypentanoate
2-Hydroxyvaleric acid
ME530529
-
-
-
117.0572
Benzoate
Benzoic acid
ME530343
-
C00180
-
121.0311
Nicotinate
Nicotinic acid
ME530450
-
C00253
-
122.0267
1-Aminoethylphosphonate
-
ME530513
-
C03782
-
124.0182
2-Aminoethylphosphonate
Ciliatine
ME530520
-
C03557
-
124.0182
Isethionate
2-Hydroxyethanesulfonate
ME530419
-
C05123
-
124.9928
Barbiturate
Barbituric acid
ME530342
-
C00813
-
127.0161
Itaconate
Itaconic acid
ME530422
-
C00490
-
129.0205
Citraconate
Citraconic acid
ME530357
-
C02226
-
129.0207
4-Acetylbutyrate
5-Ketocaproic acid
ME530553
-
C02129
-
129.0570
4-Oxohexanoate
-
ME530558
-
-
-
129.0570
4-Methyl-2-oxopentanoate
Ketoleucine
ME530556
-
C00233
-
129.0571
Heptanoate
Heptylic acid
ME530412
-
C17714
-
129.0931
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME530434
-
C01073
-
130.0526
Glutarate
Glutaric acid
ME530404
-
C00489
-
131.0369
3-Ureidopropionate
Ureidopropionic acid
ME530552
-
C02642
-
131.0472
6-Hydroxyhexanoate
6-Hydroxycaproic acid
ME530561
-
C06103
-
131.0720
2-Hydroxy-4-methylpentanoate
D-Leucic acid
ME530524
-
C03264
-
131.0730
Malate
Malic acid
ME530425
-
C00711
-
133.0157
Threonate
Threonic acid
ME530496
-
C01620
-
135.0316
p-Hydroxybenzoate
4-Hydroxybenzoic acid
ME530468
-
C00156
-
137.0255
m-Hydroxybenzoate
3-Hydroxybenzoic acid
ME530431
-
C00587
-
137.0261
o-Hydroxybenzoate
Salicylic acid
ME530453
-
C00805
-
137.0266
Phosphonoacetate
Phosphonoacetate
ME530466
-
C05682
-
138.9812
Carbamoylphosphate
Carbamoylphosphate
ME530350
-
C00169
-
139.9769
2-Thiopheneacetate
2-Thienylacetic acid
ME530539
-
C02595
-
141.0031
Octanoate
Caprylic acid
ME530452
-
C06423
-
143.1092
2-Oxoglutarate
2-Oxoglutaric acid
ME530534
-
C00026
-
145.0149
Adipate
Adipic acid
ME530334
-
C06104
-
145.0516
threo-beta-methylaspartate
-
ME530564
-
C03618
-
146.0477
4-Methylthio-2-oxobutyrate
2-Oxo-4-methylthiobutanoic acid
ME530557
-
C01180
-
147.0143
Citramalate
Citramalic acid
ME530358
-
C02614
-
147.0309
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME530526
-
C02630
-
147.0312
trans-Cinnamate
trans-Cinnamic acid
ME530500
-
C00423
-
147.0466
Tartrate
Tartaric acid
ME530492
-
C00898
-
149.0107
Benzoylformate
Phenylglyoxylic acid
ME530344
-
C02137
-
149.0254
3-Phenylpropionate
Hydrocinnamic acid
ME530551
-
C05629
-
149.0625
2-Hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME530530
-
C05852
-
151.0413
p-Hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME530469
-
C00642
-
151.0413
Cysteine sulfinate
3-Sulfino-alanine
ME530367
-
C00606
-
152.0031
2,5-Dihydroxybenzoate
Gentisic acid
ME530518
-
C00628
-
153.0198
2,4-Dihydroxypyrimidine-5-carboxylate
Uracil-5-carboxylic acid
ME530517
-
C03030
-
155.0113
Orotate
Orotic acid
ME530456
-
C00295
-
155.0120
Dihydroorotate
4,5-Dihydroorotic acid
ME530380
-
C00337
-
157.0269
2-Oxooctanoate
-
ME530536
-
-
-
157.0884
Pelargonate
Pelargonic acid
ME530461
-
C01601
-
157.1256
2-Oxoadipate
Oxoadipic acid
ME530532
-
C00322
-
159.0316
Pimelate
Pimelic acid
ME530470
-
C02656
-
159.0679
2-Hydroxyoctanoate
2-Hydroxyoctanoic acid
ME530528
-
-
-
159.1043
N-Formylaspartate
N-Formyl-aspartic acid
ME530448
-
C01044
-
160.0264
3-Hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME530544
-
C03761
-
161.0469
o-Coumarate
trans-o-Coumaric acid
ME530451
-
C01772
-
163.0419
Phenylpyruvate
Phenylpyruvic acid
ME530465
-
C00166
-
163.0420
p-Coumarate
cis-p-Coumaric acid
ME530460
-
C00811
-
163.0426
Phthalate
Phthalic acid
ME530467
-
C01606
-
165.0216
Terephthalate
Terephthalic acid
ME530495
-
C06337
-
165.0216
3-(4-Hydroxyphenyl)propionate
Desaminotyrosine
ME530541
-
C01744
-
165.0574
3-(2-Hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME530540
-
C01198
-
165.0576
3-Phenyllactate
Phenyllactic acid
ME530550
-
C05607
-
165.0576
2,3-Pyridinedicarboxylate
Quinolinic acid
ME530516
-
C03722
-
166.0166
PEP
Phosphoenolpyruvic acid
ME530462
-
C00074
-
166.9775
Urate
Uric acid
ME530508
-
C00366
-
167.0225
4-Hydroxymandelate
4-Hydroxymandelic acid
ME530555
-
C11527
-
167.0375
Cysteate
Cysteic acid
ME530365
-
C00506
-
167.9988
2-Amino-3-phosphonopropionate
-
ME530519
-
C05672
-
168.0083
G3P
Glyceraldehyde 3-phosphate
ME530396
-
C00661
-
168.9927
DHAP
Dihydroxyacetone phosphate
ME530378
-
C00111
-
168.9933
Glycerophosphate
sn-Glycero-3-phosphate
ME530406
-
C00093
-
171.0084
Decanoate
Capric acid
ME530376
-
C01571
-
171.1410
2-Quinolinecarboxylate
Quinaldic acid
ME530538
-
C06325
-
172.0424
N-Acetylleucine
N-Acetylleucine
ME530438
-
C02710
-
172.0993
Phenyl phosphate
Phenyl phosphate
ME530464
-
C02734
-
173.0027
trans-Aconitate
trans-Aconitic acid
ME530499
-
C02341
-
173.0109
cis-Aconitate
cis-Aconitic acid
ME530356
-
C00417
-
173.0112
Shikimate
Shikimic acid
ME530486
-
C00493
-
173.0474
N-Acetylaspartate
N-Acetylaspartic acid
ME530433
-
C01042
-
174.0430
Carbamoylaspartate
Carbamoylaspartate
ME530349
-
C00438
-
175.0374
Allantoate
Allantoic acid
ME530338
-
C00499
-
175.0491
2-Isopropylmalate
2-Isopropylmalic acid
ME530531
-
C02504
-
175.0630
N-Formylmethionine
N-Formylmethionine
ME530449
-
C03145
-
176.0408
Hippurate
Hippuric acid
ME530414
-
C01586
-
178.0532
Homovanillate
Homovanillic acid
ME530415
-
C05582
-
181.0517
4-Pyridoxate
4-Pyridoxic acid
ME530560
-
C00847
-
182.0478
Serine O-sulfate
Serine-O-sulfate
ME530485
-
C02703
-
183.9937
O-Phosphoserine
Phosphoserine
ME530455
-
C01005
-
184.0038
2PG
2-Phosphoglyceric acid
ME530537
-
C00631
-
184.9881
3PG
3-Phosphoglyceric acid
ME530549
-
C00197
-
184.9881
Undecanoate
Undecylic acid
ME530507
-
C17715
-
185.1573
Azelate
Azelaic acid
ME530341
-
C08261
-
187.0996
10-Hydroxydecanoate
10-Hydroxydecanoic acid
ME530563
-
C02774
-
187.1361
N-Acetylglutamate
N-Acetylglutamic acid
ME530437
-
C00624
-
188.0582
N-Carbamylglutamate
Carglumic acid
ME530447
-
C05829
-
189.0541
N-Acetylmethionine
N-Acetylmethionine
ME530439
-
C02712
-
190.0559
Isocitrate
Isocitric acid
ME530421
-
C00311
-
191.0219
Citrate
Citric acid
ME530359
-
C00158
-
191.0225
Quinate
Quinic acid
ME530478
-
C00296
-
191.0579
Phenaceturate
Phenylacetylglycine
ME530463
-
C05598
-
192.0672
Glucuronate
Glucuronic acid
ME530403
-
C00191
-
193.0370
trans-4-Hydroxy-3-methoxycinnamate
trans-Ferulic acid
ME530498
-
C01494
-
193.0524
o-Hydroxyhippurate
Salicyluric acid
ME530454
-
C07588
-
194.0483
Gluconate
Gluconic acid
ME530401
-
C00257
-
195.0533
Syringate
Syringic acid
ME530491
-
C10833
-
197.0470
4-Hydroxy-3-methoxymandelate
Vanillylmandelic acid
ME530554
-
C05584
-
197.0473
Dodecanoate
Lauric acid
ME530383
-
C02679
-
199.1723
Cysteine S-sulfate
Cysteine-S-sulfate
ME530366
-
C05824
-
199.9717
Sebacate
Sebacic acid
ME530484
-
C08277
-
201.1150
3-Indolebutyrate
3-Indolebutyric acid
ME530547
-
C11284
-
202.0893
Xanthurenate
Xanthurenic acid
ME530510
-
C02470
-
204.0319
Indolelactate
Indolelactic acid
ME530418
-
C02043
-
204.0685
N-Acetylphenylalanine
N-Acetylphenylalanine
ME530442
-
C03519
-
206.0840
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME530345
-
C09816
-
207.0689
Mucate
Galactaric acid
ME530432
-
C00879
-
209.0325
Saccharate
Glucaric acid
ME530483
-
C00818
-
209.0330
3-Indoxyl sulfate
Indoxyl sulfate
ME530548
-
-
-
212.0049
2-Deoxyribose 1-phosphate
Deoxyribose 1-phosphate
ME530522
-
C00672
-
213.0192
Pantothenate
Pantothenic acid
ME530459
-
C00864
-
218.1057
Sinapate
Sinapic acid
ME530487
-
C00482
-
223.0638
Porphobilinogen
Porphobilinogen
ME530471
-
C00931
-
225.0904
Ru5P
Ribulose 5-phosphate
ME530481
-
C00199
-
229.0143
R5P
Ribose 5-phosphate
ME530479
-
C00117
-
229.0144
Dodecanedioate
Dodecanedioic acid
ME530382
-
C02678
-
229.1475
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME530521
-
C06369
-
243.0294
Biotin
Biotin
ME530346
-
C00120
-
243.0832
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME530402
-
C00352
-
258.0405
G1P
Glucose 1-phosphate
ME530395
-
C00103
-
259.0248
F6P
Fructose 6-phosphate
ME530391
-
C00085
-
259.0249
G6P
Glucose 6-phosphate
ME530397
-
C00092
-
259.0251
Sorbitol 6-phosphate
Pseudouridine
ME530488
-
C01096
-
261.0403
2,3-DPG
2,3-Diphosphoglyceric acid
ME530515
-
C01159
-
264.9544
Galacturonate 1-phosphate
-
ME530398
-
C04037
-
273.0049
6-Phosphogluconate
6-Phosphogluconic acid
ME530562
-
C00345
-
275.0186
S7P
Sedoheptulose 7-phosphate
ME530482
-
C05382
-
289.0356
N-Acetylmuramate
N-Acetylmuramic acid
ME530440
-
C02713
-
292.1063
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME530435
-
C04501
-
300.0516
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME530436
-
C00357
-
300.0518
2',3'-cCMP
2',3' cyclic CMP
ME530514
-
C02354
-
304.0369
dCMP
dCMP
ME530373
-
C00239
-
306.0526
dUMP
dUMP
ME530388
-
C00365
-
307.0366
N-Acetylneuraminate
N-Acetylneuraminic acid
ME530441
-
C00270
-
308.1020
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME530480
-
C01182
-
308.9808
3',5'-Cyclic dAMP
-
ME530542
-
C00968
-
312.0531
dTMP
dTMP
ME530385
-
C00364
-
321.0522
CMP
CMP
ME530360
-
C00055
-
322.0476
UMP
UMP
ME530506
-
C00105
-
323.0316
cAMP
3',5' cyclic AMP
ME530348
-
C00575
-
328.0478
cIMP
-
ME530355
-
C00943
-
329.0319
dAMP
dAMP
ME530369
-
C00360
-
330.0637
F1,6P
Fructose 1,6-bisphosphate
ME530390
-
C00354
-
338.9910
cGMP
3',5' cyclic GMP
ME530353
-
C00942
-
344.0433
3'-AMP
3'-AMP
ME530543
-
C01367
-
346.0588
AMP
AMP
ME530339
-
C00020
-
346.0588
IMP
IMP
ME530417
-
C00130
-
347.0431
Prostaglandin E2
PGE2
ME530473
-
C00584
-
351.2193
Prostaglandin F2alpha
PGF2alpha
ME530474
-
C00639
-
353.2368
GMP
GMP
ME530410
-
C00144
-
362.0535
XMP
XMP
ME530511
-
C00655
-
363.0378
Orotidine 5'-monophosphate
Orotidylic acid
ME530457
-
C01103
-
367.0217
Digalacturonate
Digalacturonic acid
ME530379
-
C02273
-
369.0706
NADPH
NADPH
ME530446
-
C00005
-
371.5424
CoA
Coenzyme A
ME530362
-
C00010
-
382.5542
dCDP
dCDP
ME530372
-
C00705
-
386.0190
dUDP
dUDP
ME530387
-
C01346
-
387.0036
PRPP
Phosphoribosyl pyrophosphate
ME530475
-
C00119
-
388.9478
DCA
Deoxycholic acid
ME530371
-
C04483
-
391.2877
dTDP
dTDP
ME530384
-
C00363
-
401.0187
CDP
CDP
ME530351
-
C00112
-
402.0153
UDP
UDP
ME530502
-
C00015
-
402.9983
Acetyl CoA
Acetyl-CoA
ME530330
-
C00024
-
403.5590
Cholate
Cholic acid
ME530354
-
C00695
-
407.2830
dADP
dADP
ME530368
-
C00206
-
410.0304
P1, P4-Di(adenosine-5') tetraphosphate
-
ME530458
-
C01260
-
417.0209
Isobutyryl CoA
Isobutyryl-CoA
ME530420
-
C00630
-
417.5751
Trehalose 6-phosphate
Trehalose 6-phosphate
ME530501
-
C00689
-
421.0796
Malonyl CoA
Malonyl-CoA
ME530427
-
C00083
-
425.5544
Adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME530332
-
C00224
-
426.0155
Adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME530331
-
C00054
-
426.0248
ADP
ADP
ME530335
-
C00008
-
426.0261
IDP
IDP
ME530416
-
C00104
-
427.0096
Succinyl CoA
Succinyl-CoA
ME530490
-
C00091
-
432.5624
Folate
Folic acid
ME530393
-
C00504
-
440.1352
GDP
GDP
ME530399
-
C00035
-
442.0206
Adenylosuccinate
Adenylsuccinic acid
ME530333
-
C03794
-
462.0702
Glycocholate
Glycocholic acid
ME530407
-
C01921
-
464.3056
dCTP
dCTP
ME530374
-
C00458
-
465.9861
dUTP
dUTP
ME530389
-
C00460
-
466.9695
dTTP
dTTP
ME530386
-
C00459
-
480.9857
CTP
CTP
ME530364
-
C00063
-
481.9806
UTP
UTP
ME530509
-
C00075
-
482.9646
dATP
dATP
ME530370
-
C00131
-
489.9965
dITP
dITP
ME530381
-
C01345
-
490.9807
dGTP
dGTP
ME530377
-
C00286
-
505.9918
ATP
ATP
ME530340
-
C00002
-
505.9920
ITP
ITP
ME530423
-
C00081
-
506.9761
Taurocholate
Taurocholic acid
ME530493
-
C05122
-
514.2886
GTP
GTP
ME530411
-
C00044
-
521.9862
XTP
Xanthosine 5-triphosphate
ME530512
-
C00700
-
522.9712
CDP-choline
CDP-choline
ME530352
-
C00307
-
547.1244
ADP-ribose
ADP-ribose
ME530337
-
C00301
-
558.0676
TDP-glucose
dTDP-glucose
ME530494
-
C00842
-
563.0720
UDP-glucose
UDP-glucose
ME530503
-
C00029
-
565.0510
UDP-glucuronate
UDP-glucuronic acid
ME530504
-
C00167
-
579.0303
ADP-glucose
ADP-glucose
ME530336
-
C00498
-
588.0781
GDP-mannose
GDP-mannose
ME530400
-
C00096
-
604.0733
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME530505
-
C00043
-
606.0779
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME530361
-
C00128
-
613.1436
NAD+
NAD
ME530443
-
C00003
-
662.1057
Deamido-NAD+
Nicotinic acid adenine dinucleotide
ME530375
-
C00857
-
663.0891
NADH
NADH
ME530444
-
C00004
-
664.1199
Glyoxylate
Glyoxylic acid
ME530409
-
C00048
-
72.9939
Propionate
Propionic acid
ME530472
-
C00163
-
73.0302
NADP+
NADP
ME530445
-
C00006
-
742.0724
Glycolate
Glycolic acid
ME530408
-
C00160
-
75.0100
FAD
FAD
ME530392
-
C00016
-
784.1532
Crotonate
Crotonic acid
ME530363
-
C01771
-
85.0310
Pyruvate
Pyruvic acid
ME530477
-
C00022
-
87.0102
Butyrate
Butyric acid
ME530347
-
C00246
-
87.0465
3-Hydroxypropionate
Hydroxypropionic acid
ME530546
-
C01013
-
89.0257
Lactate
Lactic acid
ME530424
-
C00186
-
89.0270
Methanesulfonate
Methanesulfonic acid
ME530428
-
C11145
-
94.9823
Tiglate
Tiglic acid
ME530497
-
C08279
-
99.0461
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