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