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Return to study ST000235 main page
Analysis: ESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
PYRIDOXAL 5'-PHOSPHATE
Pyridoxal 5'-phosphate
ME699203
1051
C00018
1.89
248.0319
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME699259
6083
C00020
1.72
348.07
GLYCINE
Glycine
ME699240
750
C00037
0.78
76.0401
SUCCINATE
Succinic acid
ME699201
1110
C00042
2.29
141.0162
L-LYSINE
Lysine
ME699229
5962
C00047
0.68
145.0982
L-ASPARTATE
Aspartic acid
ME699234
5960
C00049
0.79
132.0303
CMP
CMP
ME699253
6131
C00055
1.11
322.0447
L-ARGININE
Arginine
ME699236
6322
C00062
0.78
175.1191
Glutamine
Glutamine
ME699242
5961
C00064
0.79
147.0767
L-SERINE
Serine
ME699226
5951
C00065
0.79
104.0349
L-METHIONINE
Methionine
ME699228
6137
C00073
1.51
150.0586
L-ORNITHINE
Ornithine
ME699227
6262
C00077
0.68
133.0976
Tryptophan
Tryptophan
ME699198
6305
C00078
6.45
203.0825
Tryptophan-NH3
Tryptophan
ME699195
6305
C00078
6.45
188.0708
Phenylalanine
Phenylalanine
ME699210
6140
C00079
5.57
166.0865
Tyrosine
Tyrosine
ME699194
6057
C00082
3.24
182.0817
D-GLUCOSE 6-PHOSPHATE
Glucose 6-phosphate
ME699245
5958
C00092
0.82
283.0191
BETA-ALANINE
beta-Alanine
ME699257
239
C00099
0.79
88.0399
URACIL
Uracil
ME699193
1174
C00106
1.48
111.0199
GLYCEROL
Glycerol
ME699241
753
C00116
0.85
115.0371
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME699244
439167
C00117
0.84
229.0112
LEUCINE
Leucine
ME699231
6106
C00123
2.6
130.0874
PUTRESCINE
Putrescine
ME699205
1045
C00134
0.67
89.108
L-HISTIDINE
Histidine
ME699230
6274
C00135
0.78
156.0769
ADENINE
Adenine
ME699260
190
C00147
1.57
136.0621
Proline
Proline
ME699206
145742
C00148
0.92
116.0712
L-ASPARAGINE
Asparagine
ME699235
6267
C00152
0.79
133.061
NICOTINAMIDE
Niacinamide
ME699215
936
C00153
1.75
123.0558
MANNOSE
Mannose
ME699224
18950
C00159
0.77
203.0526
L-THREONINE
Threonine
ME699225
6288
C00188
0.8
118.051
TAURINE
Taurine
ME699200
1123
C00245
0.78
124.0075
PYRIDOXAL
Pyridoxal
ME699204
1050
C00250
1.95
168.0658
NICOTINATE
Nicotinic acid
ME699214
938
C00253
1.57
124.0397
HYPOXANTHINE
Hypoxanthine
ME699239
790
C00262
2.05
135.0308
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME699218
439197
C00270
0.9
308.0984
OROTIC ACID
Orotic acid
ME699211
967
C00295
1.32
157.025
Creatine
Creatine
ME699252
586
C00300
0.96
130.0622
CYTIDINE 5'-DIPHOSPHOCHOLINE
CDP-choline
ME699248
13804
C00307
0.99
489.115
SPERMIDINE
Spermidine
ME699202
1102
C00315
0.65
146.1654
CITRULLINE
Citrulline
ME699254
9750
C00327
0.84
174.0883
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME699266
119
C00334
0.86
104.0713
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME699243
1015
C00346
0.79
140.012
URATE
Uric acid
ME699192
1175
C00366
1.86
167.0205
CARNOSINE
Carnosine
ME699255
439224
C00386
0.79
227.1137
PIPECOLATE
Pipecolic acid
ME699207
849
C00408
1.36
130.0867
5,6-DIHYDROURACIL
Dihydrouracil
ME699264
649
C00429
1.43
115.0507
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME699263
137
C00430
0.81
130.0509
5-AMINOPENTANOATE
5-Aminopentanoic acid
ME699262
138
C00431
1.21
118.0868
CYTIDINE
Cytidine
ME699249
6175
C00475
1.68
242.0779
(R)-MALATE
D-Malic acid
ME699273
92824
C00497
1.13
157.0112
Creatinine
Creatinine
ME699250
588
C00791
1
114.0667
DEOXYCYTIDINE
Deoxycytidine
ME699246
13711
C00881
2.2
228.0982
ALPHA-AMINOADIPATE
Aminoadipic acid
ME699258
469
C00956
0.97
160.0616
O-ACETYL-L-SERINE
O-Acetylserine
ME699213
99478
C00979
0.83
148.0607
1,3-DIAMINOPROPANE
1,3-Diaminopropane
ME699272
428
C00986
0.65
75.0925
O-PHOSPHO-DL-SERINE
DL-O-Phosphoserine
ME699212
106
C01005
0.83
186.0164
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME699265
500
C01035
1.66
146.0927
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME699219
65065
C01042
1.54
174.0403
THIAMINE MONOPHOSPHATE
Thiamine monophosphate
ME699199
1131
C01081
1
345.0781
N-ACETYL-D-GALACTOSAMINE
N-Acetylgalactosamine
ME699222
35717
C01132
0.91
220.0827
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME699223
64969
C01152
0.79
170.0926
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME699271
535
C01234
0.82
102.0557
L-ANSERINE
Anserine
ME699237
112072
C01262
0.82
239.1148
5-OXO-L-PROLINE
Pyroglutamic acid
ME699261
7405
C01879
1.9
128.0354
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME699270
11914
C01983
7.84
151.04
L-CYSTATHIONINE
Cystathionine
ME699232
439258
C02291
0.78
223.0746
3-UREIDOPROPIONATE
Ureidopropionic acid
ME699267
111
C02642
1.35
133.061
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME699269
1662
C03761
3.01
185.0422
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME699216
440120
C03793
0.79
189.1599
L-ALLOTHREONINE
Allothreonine
ME699238
99289
C05519
0.78
142.0477
DEOXYCARNITINE
3-Dehydroxycarnitine
ME699247
725
C05543
1.5
146.1178
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME699217
92907
C12989
1.14
189.1236
3-METHYLHISTAMINE
3-Methylhistamine
ME699268
69520
-
0.77
126.1031
Caffeine-D3
Caffeine
ME699256
13001298
-
6.74
198.1067
Creatine-D3
Creatine
ME699251
-
-
0.95
135.0955
L-CARNITINE
Carnitine
ME699233
288
-
1.03
162.1126
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME699221
185
-
2.24
190.0712
N-ACETYL-L-ALANINE
N-Acetylalanine
ME699220
88064
-
2.25
130.051
Phenylalanine-HCOOH
-
ME699209
-
-
5.57
120.0812
PHOSPHOCHOLINE
Choline phosphate
ME699208
135437
-
0.8
184.0735
Tryptophan-2,3,3-D3
Tryptophan
ME699197
-
-
6.44
208.1161
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME699196
-
-
6.44
191.0895
Analysis: ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME699310
6083
C00020
1.72
346.0562
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME699311
51
C00026
1.45
145.0142
L-LYSINE
Lysine
ME699286
5962
C00047
0.68
145.0982
L-ASPARTATE
Aspartic acid
ME699289
5960
C00049
0.79
132.0303
GLUTATHIONE
Glutathione
ME699318
124886
C00051
1.67
306.0769
CMP
CMP
ME699297
6131
C00055
1.11
322.0447
L-ARGININE
Arginine
ME699291
6322
C00062
0.78
175.1191
L-GLUTAMINE
Glutamine
ME699323
5961
C00064
0.79
145.0616
L-SERINE
Serine
ME699284
5951
C00065
0.79
104.0349
L-METHIONINE
Methionine
ME699285
6137
C00073
1.51
150.0586
D-GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME699312
5958
C00092
0.82
259.0223
BETA-ALANINE
beta-Alanine
ME699299
239
C00099
0.79
88.0399
URACIL
Uracil
ME699275
1174
C00106
1.48
111.0199
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME699313
668
C00111
0.82
168.9904
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME699294
439167
C00117
0.84
229.0112
LEUCINE
Leucine
ME699288
6106
C00123
2.6
130.0874
L-HISTIDINE
Histidine
ME699287
6274
C00135
0.78
156.0769
ADENINE
Adenine
ME699301
190
C00147
1.57
136.0621
L-ASPARAGINE
Asparagine
ME699290
6267
C00152
0.79
133.061
NICOTINAMIDE
Niacinamide
ME699277
936
C00153
1.75
123.0558
D-XYLOSE
Xylose
ME699316
135191
C00181
0.88
149.0454
L-VALINE
Valine
ME699324
6287
C00183
1.21
118.0867
L-THREONINE
Threonine
ME699283
6288
C00188
0.8
118.051
TAURINE
Taurine
ME699276
1123
C00245
0.78
124.0075
GLUCONIC ACID
Gluconic acid
ME699317
10690
C00257
0.83
195.0508
GLYCERATE
Glyceric acid
ME699320
439194
C00258
0.91
105.0191
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME699278
439197
C00270
0.9
308.0984
Creatine
Creatine
ME699296
586
C00300
0.96
130.0622
CITRULLINE
Citrulline
ME699298
9750
C00327
0.84
174.0883
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME699293
1015
C00346
0.79
140.012
URATE
Uric acid
ME699274
1175
C00366
1.86
167.0205
MALONATE
Malonic acid
ME699325
867
C00383
1.21
103.0035
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME699303
137
C00430
0.81
130.0509
CYTIDINE
Cytidine
ME699295
6175
C00475
1.68
242.0779
(R)-MALATE
D-Malic acid
ME699307
92824
C00497
1.13
157.0112
HYPOTAURINE
Hypotaurine
ME699322
107812
C00519
0.78
108.0124
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME699308
1549098
C00606
0.83
152.0023
D-SORBITOL
Sorbitol
ME699315
453
C00794
0.78
181.0717
D-SACCHARIC ACID
Glucaric acid
ME699314
33037
C00818
0.82
209.0301
ALPHA-AMINOADIPATE
Aminoadipic acid
ME699300
469
C00956
0.97
160.0616
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME699304
500
C01035
1.66
146.0927
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME699279
65065
C01042
1.54
174.0403
N-ACETYL-D-GALACTOSAMINE
N-Acetylgalactosamine
ME699282
35717
C01132
0.91
220.0827
L-ANSERINE
Anserine
ME699292
112072
C01262
0.82
239.1148
5-OXO-L-PROLINE
Pyroglutamic acid
ME699302
7405
C01879
1.9
128.0354
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME699306
11914
C01983
7.84
151.04
GLYCERALDEHYDE
Glyceraldehyde
ME699319
751
C02154
1.32
89.0239
GLYCEROL 2-PHOSPHATE
sn-Glycero-2-phosphate
ME699321
2526
C02979
0.82
171.0063
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME699305
1662
C03761
3.01
185.0422
4-METHYLCATECHOL
4-Methylcatechol
ME699309
9958
C06730
6.35
123.0453
SUBERIC ACID
Suberic acid
ME699328
10457
C08278
7.89
173.0818
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME699327
22880
C12269
0.84
146.0458
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME699281
185
-
2.24
190.0712
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME699326
439281
-
0.86
256.0594
N-ACETYL-L-ALANINE
N-Acetylalanine
ME699280
88064
-
2.25
130.051
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