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