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Return to study ST000814 main page
Analysis: C18 NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-HISTIDINE
Histidine
ME219175
6274
-
0.596
155.0691
D-TAGATOSE
D-Tagatose
ME219167
90008
-
0.635
180.0635
D-MANNITOL
Mannitol
ME219165
6251
-
0.64
182.0779
D-SORBITOL (M+H)
Sorbitol
ME219166
5780
-
0.64
182.0779
GLYCERALDEHYDE
Glyceraldehyde
ME219170
79014
-
0.678
90.0316
N-ACETYLNEURAMINIC ACID
N-Acetylneuraminic acid
ME219181
444885
-
0.683
309.1038
QUINIC ACID
Quinic acid
ME219188
6508
-
0.712
192.063
XYLOSE
Xylose
ME219201
135191
-
0.715
150.0525
GLYCERIC ACID
Glyceric acid
ME219171
439194
-
0.729
106.0265
GLUTAMATE
Glutamic acid
ME219169
33032
-
0.851
147.0524
O-ACETYLSERINE
O-Acetylserine
ME219182
99478
-
0.851
147.0524
PYRUVIC ACID
Pyruvic acid
ME219187
1060
-
0.863
88.0162
L-METHIONINE SULFOXIMINE
Methionine sulfoximine
ME219176
89034
-
0.866
180.0564
VALINE
Valine
ME219198
6287
-
0.877
117.078
N-ACETYLGLYCINE
N-Acetylglycine
ME219180
1097
-
0.881
117.0426
URIC ACID
Uric acid
ME219195
1175
-
0.989
168.0284
AZELAIC ACID
Azelaic acid
ME219161
2266
-
10.709
188.105
HYPOXANTHINE
Hypoxanthine
ME219173
790
-
1.078
136.0381
5-OXOPROLINE
Pyroglutamic acid
ME219159
7405
-
1.123
129.043
XANTHOSINE 5'-PHOSPHATE
XMP
ME219200
73323
-
1.137
364.0445
XANTHINE
Xanthine
ME219199
1188
-
1.275
152.0334
SUCCINATE
Succinic acid
ME219192
1110
-
1.291
118.0268
TYROSINE
Tyrosine
ME219194
6057
-
1.295
181.0738
URIDINE (M-H)
Uridine
ME219196
6029
-
1.32
244.0701
PHTHALATE
Phthalic acid
ME219186
1017
-
1.332
166.0271
CORTISONE (M-H)
Cortisone
ME219164
222786
-
13.353
360.1944
N-ACETYL-L-ALANINE
N-Acetylalanine
ME219179
88064
-
1.439
131.0582
S-ADENOSYLHOMOCYSTEINE
S-Adenosylhomocysteine
ME219190
439155
-
1.504
384.1197
ISOLEUCINE
Isoleucine
ME219174
6306
-
1.586
131.0946
3-HYDROXY-3-METHYL-GLUTARIC ACID
3-Hydroxymethylglutaric acid
ME219157
1662
-
1.605
162.0524
CHOLATE
Cholic acid
ME219162
221493
-
20.323
408.2867
URSODIOL-2 WATER
Ursodeoxycholic acid
ME219197
31401
-
21.661
392.2925
MYRISTIC ACID
Myristic acid
ME219178
11005
-
22.415
228.2094
RETINOIC ACID
Retinoic acid
ME219189
444795
-
22.473
300.2076
CIS-9-PALMITOLEIC ACID
Palmitoleic acid
ME219163
445638
-
22.546
254.2255
LINOLEIC ACID
Linoleic acid
ME219177
5280450
-
22.689
280.2411
ELAIDIC ACID
Elaidic acid
ME219168
637517
-
22.885
282.2568
STEARIC ACID
Stearic acid
ME219191
5281
-
23.161
284.2724
ARACHIDIC ACID
Arachidic acid
ME219160
10467
-
23.552
312.3032
PHENYLALANINE
Phenylalanine
ME219185
6140
-
2.489
165.079
PANTOTHENIC ACID
Pantothenic acid
ME219183
6613
-
3.257
219.1108
TRYPTOPHAN
Tryptophan
ME219193
6305
-
3.569
204.0887
PARAXANTHINE
Paraxanthine
ME219184
4687
-
4.397
180.0645
4-METHYL-2-OXOPENTANOATE
Ketoleucine
ME219158
70
-
4.744
130.0633
HIPPURIC ACID
Hippuric acid
ME219172
464
-
4.782
179.0585
Analysis: C18 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
D-ORNITHINE C00515
Ornithine
ME219223
6262
-
0.511
132.0897
LYSINE
Lysine
ME219239
5962
-
0.512
146.1054
GLUTAMINE
Glutamine
ME219229
5961
-
0.622
146.069
5-AMINOPENTANOIC ACID
5-Aminopentanoic acid
ME219210
138
-
0.638
117.0799
D-MANNITOL
Mannitol
ME219222
6251
-
0.639
182.0783
L-CARNITINE
Carnitine
ME219235
10917
-
0.64
161.1059
CREATINE
Creatine
ME219219
586
-
0.668
131.0706
PROLINE
Proline
ME219250
145742
-
0.68
115.0638
3-DEHYDROXYCARNITINE
3-Dehydroxycarnitine
ME219205
725
-
0.702
145.1105
N-METHYLNICOTINATE
Trigonelline
ME219244
5570
-
0.706
137.0472
ALLOTHREONINE
Allothreonine
ME219214
99289
-
0.71
119.0581
GLUTAMATE
Glutamic acid
ME219228
33032
-
0.749
147.0533
2-OXOADIPIC ACID
Oxoadipic acid
ME219204
71
-
0.803
160.0373
VALINE
Valine
ME219259
6287
-
0.858
117.0793
D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE)
Methyl beta-D-galactoside
ME219221
94214
-
0.878
194.0797
DIMETHYL MALEATE
Dimethyl maleate
ME219224
5271565
-
0.912
144.0427
O-ACETYLCARNITINE
CAR 2:0
ME219245
18230
-
0.912
203.1159
DL-PIPECOLIC ACID
Pipecolic acid
ME219226
849
-
0.941
129.0791
O-METHYLDOPAMINE (3-METHOXYTYRAMINE)
3-Methoxytyramine
ME219246
1669
-
0.946
167.0942
GUANINE
Guanine
ME219230
764
-
0.972
151.049
URIC ACID
Uric acid
ME219256
1175
-
0.998
168.0287
CREATININE
Creatinine
ME219220
588
-
1.021
113.058
AZELAIC ACID
Azelaic acid
ME219215
2266
-
10.717
188.1057
HYPOXANTHINE
Hypoxanthine
ME219232
790
-
1.085
136.0388
5-OXOPROLINE
Pyroglutamic acid
ME219212
7405
-
1.134
129.0431
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
1-Aminocyclopropanecarboxylic acid
ME219202
535
-
1.208
101.0476
BILIRUBIN
Bilirubin
ME219216
5280352
-
12.142
584.2635
XANTHINE
Xanthine
ME219260
1188
-
1.255
152.0338
TYROSINE
Tyrosine
ME219255
6057
-
1.295
181.074
URIDINE (M+H)
Uridine
ME219257
6029
-
1.329
244.0701
CORTISONE (M+H)
Cortisone
ME219218
222786
-
13.358
360.1947
ISOLEUCINE
Isoleucine
ME219233
6306
-
1.583
131.0949
L-NORLEUCINE
Norleucine
ME219236
21236
-
1.583
131.0949
L-THYROXINE
Thyroxine
ME219237
5819
-
16.142
776.6864
5-HYDROXYTRYPTOPHAN
5-Hydroxy-tryptophan
ME219211
439280
-
1.766
220.0858
ADENOSINE
Adenosine
ME219213
60961
-
1.77
267.0965
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME219208
18189
-
1.812
145.0747
3-METHOXYTYROSINE
3-Methoxytyrosine
ME219206
9307
-
1.981
211.086
URSODIOL-2 WATER
Ursodeoxycholic acid
ME219258
31401
-
21.717
392.2905
KYNURENINE
Kynurenine
ME219234
161166
-
2.18
208.0857
3ALPHA-HYDROXY-5BETA-CHOLANATE
Lithocholic acid
ME219207
9903
-
22.195
376.3002
LINOLEIC ACID
Linoleic acid
ME219238
5280450
-
22.484
280.2389
ELAIDIC ACID
Elaidic acid
ME219227
637517
-
22.746
282.2561
DIOCTYL PHTHALATE (M+H)
Dioctyl phthalate
ME219225
8346
-
23.066
390.2775
SUCCINIC ACID SEMIALDEHYDE
Succinic acid semialdehyde
ME219252
1112
-
2.381
102.0327
PHENYLALANINE
Phenylalanine
ME219249
6140
-
2.489
165.079
1-METHYLADENOSINE
1-Methyladenosine
ME219203
27476
-
2.993
281.1128
PANTOTHENIC ACID
Pantothenic acid
ME219247
6613
-
3.259
219.1109
N-ETHYLMALEIMIDE
N-Ethylmaleimide
ME219243
4362
-
3.403
125.0483
THEOBROMINE
Theobromine
ME219253
5429
-
3.467
180.0661
TRYPTOPHAN
Tryptophan
ME219254
6305
-
3.572
204.0887
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME219241
448580
-
4.047
191.0619
PARAXANTHINE
Paraxanthine
ME219248
4687
-
4.403
180.0651
HIPPURIC ACID
Hippuric acid
ME219231
464
-
4.783
179.0587
4-QUINOLINECARBOXYLIC ACID
4-Quinolinecarboxylic acid
ME219209
10243
-
4.948
173.0481
CAFFEINE
Caffeine
ME219217
2519
-
5.864
194.0807
N-ACETYLLEUCINE
N-Acetylleucine
ME219242
75619
-
7.165
173.1055
N-ACETYL-D-TRYPTOPHAN
N-Acetyl-D-tryptophan
ME219240
439917
-
7.923
246.101
SUBERIC ACID
Suberic acid
ME219251
10457
-
8.145
174.0905
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