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Return to study ST000243 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-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME700390
535
C01234
0.82
102.0557
L-SERINE
Serine
ME700366
5951
C00065
0.79
104.0349
3-AMINOISOBUTANOATE
3-Aminoisobutanoic acid
ME700445
64956
C05145
1.12
104.0712
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME700387
119
C00334
0.86
104.0713
DIETHANOLAMINE
Diethanolamine
ME700433
8113
C06772
0.78
106.0868
HYPOTAURINE_R1
Hypotaurine
ME700431
107812
C00519
0.84
110.0277
HYPOTAURINE_R2
Hypotaurine
ME700430
107812
C00519
0.71
110.0277
2-AMINOPHENOL
2-Aminophenol
ME700400
491
C01987
1.87
110.0606
URACIL
Uracil
ME700345
1174
C00106
1.48
111.0199
SARCOSINE
Sarcosine
ME700417
1088
C00213
0.71
112.0379
CYTOSINE
Cytosine
ME700397
597
C00380
0.81
112.051
HISTAMINE
Histamine
ME700404
774
C00388
0.75
112.0874
GLYCEROL
Glycerol
ME700374
753
C00116
0.85
115.0371
Proline
Proline
ME700352
145742
C00148
0.92
116.0712
Valine
Valine
ME700408
6287
C16436
1.17
118.0866
BETAINE
Betaine
ME700402
247
C00719
0.86
118.0867
Threonine
Threonine
ME700414
6288
C00188
0.8
120.066
Phenylalanine-HCOOH
-
ME700355
-
-
5.57
120.0812
L-CYSTEINE
Cysteine
ME700428
594
C00097
0.76
122.0276
NICOTINAMIDE
Niacinamide
ME700359
936
C00153
1.75
123.0558
NICOTINATE
Nicotinic acid
ME700358
938
C00253
1.57
124.0397
TAURINE_R1
Taurine
ME700416
1123
C00245
0.81
126.0225
TAURINE_R2
Taurine
ME700415
1123
C00245
0.73
126.0226
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME700406
96215
C02835
1.11
127.0504
THYMINE
Thymine
ME700413
1135
C00178
3.3
127.0505
5-OXO-L-PROLINE
Pyroglutamic acid
ME700384
7405
C01879
1.9
128.0354
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME700385
137
C00430
0.81
130.0509
N-ACETYL-L-ALANINE
N-Acetylalanine
ME700362
88064
-
2.25
130.051
PIPECOLATE
Pipecolic acid
ME700353
849
C00408
1.36
130.0867
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME700423
122356
C02714
1.12
131.1181
L-Isoleucine
Isoleucine
ME700396
6306
C00407
2.45
132.1022
L-Leucine
Leucine
ME700425
6106
C16439
2.5
132.1022
3-UREIDOPROPIONATE
Ureidopropionic acid
ME700388
111
C02642
1.35
133.061
L-ASPARAGINE
Asparagine
ME700370
6267
C00152
0.79
133.061
Aspartic acid_R1
Aspartic acid
ME700438
5960
C16433
0.96
134.0451
Aspartic acid_R2
Aspartic acid
ME700437
5960
C16433
0.73
134.0452
HYPOXANTHINE
Hypoxanthine
ME700372
790
C00262
2.05
135.0308
Creatine-D3
Creatine
ME700377
-
-
0.95
135.0955
ADENINE
Adenine
ME700383
190
C00147
1.57
136.0621
UROCANATE
Urocanic acid
ME700409
1549103
-
2.03
139.0504
SUCCINATE
Succinic acid
ME700351
1110
C00042
2.29
141.0162
L-ALLOTHREONINE
Allothreonine
ME700371
99289
C05519
0.78
142.0477
L-HISTIDINOL
L-Histidinol
ME700426
165271
C00860
0.69
142.0979
Leucine-D10
Leucine
ME700427
-
-
2.47
142.1649
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME700393
22880
C12269
0.84
146.0458
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME700386
500
C01035
1.66
146.0927
Glutamine
Glutamine
ME700375
5961
C00064
0.79
147.0767
TRANS-CINNAMATE
trans-Cinnamic acid
ME700412
444539
C00423
9.78
149.0599
L-METHIONINE
Methionine
ME700367
6137
C00073
1.51
150.0586
3-METHYLADENINE
3-Methyladenine
ME700443
1673
C00913
2.05
150.0773
XYLITOL
Xylitol
ME700407
6912
C00379
0.81
151.061
guanine
Guanine
ME700343
764
C00242
-
152.0553
3-AMINO-5-HYDROXYBENZOIC ACID
3-Amino-5-hydroxybenzoic acid
ME700446
127115
C12107
1.96
154.048
Histidine
Histidine
ME700432
6274
C00135
0.7
156.0773
(R)-MALATE
D-Malic acid
ME700391
92824
C00497
1.13
157.0112
(S)-DIHYDROOROTATE
4,5-Dihydroorotic acid
ME700447
439216
C00337
1.12
159.0402
ALLANTOIN
Allantoin
ME700399
204
C01551
0.8
159.0515
ALPHA-AMINOADIPATE
Aminoadipic acid
ME700382
469
C00956
0.97
160.0616
L-CARNITINE
Carnitine
ME700369
288
-
1.03
162.1126
Phenylalanine
Phenylalanine
ME700356
6140
C00079
5.57
166.0865
URATE
Uric acid
ME700344
1175
C00366
1.86
167.0205
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME700442
18189
C02946
3.48
168.0633
PYRIDOXINE
Pyridoxine
ME700395
1054
C00314
2.81
170.0815
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME700364
64969
C01152
0.79
170.0926
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME700394
439162
C00093
0.74
173.0211
D-(-)-ARABINOSE
Arabinose
ME700435
66308
-
0.81
173.0426
CITRULLINE
Citrulline
ME700379
9750
C00327
0.84
174.0883
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME700424
75619
C02997
7.61
174.1127
arginine
Arginine
ME700342
6322
C00062
-
175.119
D-(+)-GLUCOSAMINE
Glucosamine
ME700434
441477
C08349
0.76
180.0869
Tyrosine
Tyrosine
ME700346
6057
C00082
3.24
182.0817
PHOSPHOCHOLINE
Choline phosphate
ME700354
135437
-
0.8
184.0735
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME700389
1662
C03761
3.01
185.0422
O-PHOSPHO-DL-SERINE
DL-O-Phosphoserine
ME700357
106
C01005
0.83
186.0164
Tryptophan-NH3
Tryptophan
ME700347
6305
C00078
6.45
188.0708
NALPHA-ACETYL-L-LYSINE_R1
N(2)-Acetyllysine
ME700421
92907
C12989
1.19
189.1235
NALPHA-ACETYL-L-LYSINE_R2
N(2)-Acetyllysine
ME700420
92907
C12989
1.13
189.1236
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME700360
440120
C03793
0.79
189.1599
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME700363
185
-
2.24
190.0712
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME700348
-
-
6.44
191.0895
Caffeine-D3
Caffeine
ME700380
13001298
-
6.74
198.1067
MANNOSE
Mannose
ME700365
18950
C00159
0.77
203.0526
Tryptophan
Tryptophan
ME700350
6305
C00078
6.45
203.0825
Tryptophan-2,3,3-D3
Tryptophan
ME700349
-
-
6.44
208.1161
ISOCITRIC ACID
Isocitric acid
ME700429
1198
C00311
1.12
215.0161
CITRATE
Citric acid
ME700398
311
C00158
1.92
215.0164
L-CYSTATHIONINE
Cystathionine
ME700368
439258
C02291
0.78
223.0746
CYTIDINE
Cytidine
ME700376
6175
C00475
1.68
242.0779
D-GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME700392
5958
C00092
0.82
259.0223
URIDINE
Uridine
ME700410
6029
C00299
2.86
267.0589
Adenosine
Adenosine
ME700441
60961
C00212
5.7
268.1042
GUANOSINE
Guanosine
ME700403
6802
C00387
6.01
284.0989
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME700436
53481030
-
1.1
306.0483
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME700361
439197
C00270
0.9
308.0984
CMP
CMP
ME700378
6131
C00055
1.11
322.0447
3'-CMP
3'-CMP
ME700444
6131
C05822
1.76
324.0591
UMP
UMP
ME700411
6030
C00105
1.18
325.0433
NICOTINAMIDE MONONUCLEOTIDE
Nicotinamide ribotide
ME700419
14180
C00455
1.11
335.0633
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME700440
6083
C00020
1.67
348.0702
SUCROSE
Sucrose
ME700405
5988
C00089
0.92
365.1055
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME700418
34755
C00019
0.85
399.1448
UDP
UDP
ME700401
6031
C00015
0.81
402.9937
ADP
ADP
ME700439
6022
C00008
1.09
428.0368
NAD
NAD+
ME700422
10897651
C00003
3.44
664.1172
GLYCINE
Glycine
ME700373
750
C00037
0.78
76.0401
BETA-ALANINE
beta-Alanine
ME700381
239
C00099
0.79
88.0399
Analysis: ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
MALONATE
Malonic acid
ME700489
867
C00383
1.21
103.0035
L-SERINE
Serine
ME700465
5951
C00065
0.79
104.0349
GLYCERATE
Glyceric acid
ME700486
439194
C00258
0.91
105.0191
HYPOTAURINE
Hypotaurine
ME700488
107812
C00519
0.78
108.0124
URACIL
Uracil
ME700452
1174
C00106
1.48
111.0199
Proline_R1
Proline
ME700530
145742
C16435
0.87
114.0559
Proline_R2
Proline
ME700529
145742
C16435
0.97
114.0559
FUMARATE
Fumaric acid
ME700536
444972
C00122
2.08
115.0035
N-ACETYLGLYCINE
N-Acetylglycine
ME700531
10972
-
1.14
116.0352
Valine
Valine
ME700513
6287
C16436
1.17
118.0866
Threonine
Threonine
ME700517
6288
C00188
0.8
120.066
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME700503
126
C00633
8.03
121.0294
L-CYSTEINE
Cysteine
ME700520
594
C00097
0.76
122.0276
TAURINE
Taurine
ME700456
1123
C00245
0.78
124.0075
5-OXO-L-PROLINE
Pyroglutamic acid
ME700477
7405
C01879
1.9
128.0354
3-METHYL-2-OXOVALERIC ACID
3-Methyl-2-oxovaleric acid
ME700542
47
C03465
6.72
129.0557
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME700541
70
C00233
7.31
129.0557
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME700478
137
C00430
0.81
130.0509
N-ACETYL-L-ALANINE
N-Acetylalanine
ME700463
88064
-
2.25
130.051
L-Isoleucine
Isoleucine
ME700493
6306
C00407
2.45
132.1022
L-Leucine
Leucine
ME700519
6106
C16439
2.5
132.1022
L-ASPARAGINE
Asparagine
ME700468
6267
C00152
0.79
133.061
Aspartic acid_R1
Aspartic acid
ME700525
5960
C16433
0.96
134.0451
Aspartic acid_R2
Aspartic acid
ME700524
5960
C16433
0.73
134.0452
HYPOXANTHINE
Hypoxanthine
ME700469
790
C00262
2.05
135.0308
Creatine-D3
Creatine
ME700472
-
-
0.95
135.0955
UROCANATE
Urocanic acid
ME700514
1549103
-
2.03
139.0504
SUCCINATE
Succinic acid
ME700457
1110
C00042
2.29
141.0162
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME700482
51
C00026
1.45
145.0142
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME700490
22880
C12269
0.84
146.0458
Glutamine
Glutamine
ME700470
5961
C00064
0.79
147.0767
lysine
Lysine
ME700448
5962
C00047
-
147.1128
O-ACETYL-L-SERINE
O-Acetylserine
ME700459
99478
C00979
0.83
148.0607
L-METHIONINE
Methionine
ME700466
6137
C00073
1.51
150.0586
XANTHINE
Xanthine
ME700498
1188
C00385
2.52
151.0258
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME700543
12122
C05593
7.47
151.0402
XYLITOL
Xylitol
ME700509
6912
C00379
0.81
151.061
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME700481
1549098
C00606
0.83
152.0023
guanine
Guanine
ME700450
764
C00242
-
152.0553
GLUTARATE
Glutaric acid
ME700494
743
C00489
4.66
155.0316
Histidine
Histidine
ME700522
6274
C00135
0.7
156.0773
(R)-MALATE
D-Malic acid
ME700480
92824
C00497
1.13
157.0112
(S)-DIHYDROOROTATE
4,5-Dihydroorotic acid
ME700528
439216
C00337
1.12
159.0402
ALLANTOIN
Allantoin
ME700497
204
C01551
0.8
159.0515
ALPHA-AMINOADIPATE
Aminoadipic acid
ME700476
469
C00956
0.97
160.0616
4-COUMARATE
cis-p-Coumaric acid
ME700504
637542
C06738
8.28
163.0398
2-deoxy-D-galactose (fructose/glucose)
-
ME700546
-
-
1.09
163.0608
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME700545
873
C01198
8.74
165.0555
Phenylalanine
Phenylalanine
ME700458
6140
C00079
5.57
166.0865
URATE
Uric acid
ME700451
1175
C00366
1.86
167.0205
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME700527
18189
C02946
3.48
168.0633
PYRIDOXINE
Pyridoxine
ME700491
1054
C00314
2.81
170.0815
GLYCEROL 2-PHOSPHATE
sn-Glycero-2-phosphate
ME700487
2526
C02979
0.82
171.0063
CITRAMALATE
Citramalic acid
ME700496
1081
C00815
2.23
171.0265
TRANS-ACONITATE
trans-Aconitic acid
ME700510
444212
C02341
3.51
173.009
D-(-)-ARABINOSE
Arabinose
ME700523
66308
-
0.81
173.0426
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME700462
65065
C01042
1.54
174.0403
INDOLE-3-ACETATE
Indoleacetic acid
ME700533
802
C00954
9.16
174.0559
CITRULLINE
Citrulline
ME700474
9750
C00327
0.84
174.0883
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME700518
75619
C02997
7.61
174.1127
arginine
Arginine
ME700449
6322
C00062
-
175.119
MYO-INOSITOL
Myo-inositol
ME700511
892
C00137
0.8
179.056
HOMOVANILLATE
Homovanillic acid
ME700534
1738
C05582
7.49
181.0505
Tyrosine
Tyrosine
ME700453
6057
C00082
3.24
182.0817
D-(-)-3-PHOSPHOGLYCERIC ACID
3-Phosphoglyceric acid
ME700538
724
C00597
0.84
184.9855
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME700479
1662
C03761
3.01
185.0422
AZELAIC ACID
Azelaic acid
ME700512
2266
C08261
8.59
187.0974
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME700460
92907
C12989
1.14
189.1236
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME700464
185
-
2.24
190.0712
D-GLUCURONOLACTONE
Glucuronolactone
ME700537
92283
C02670
0.78
193.0351
QUINATE
Quinic acid
ME700507
6508
C00296
0.85
193.0708
GLUCONIC ACID
Gluconic acid
ME700483
10690
C00257
0.83
195.0508
Tryptophan
Tryptophan
ME700455
6305
C00078
6.45
203.0825
Tryptophan-2,3,3-D3
Tryptophan
ME700454
-
-
6.44
208.1161
ISOCITRIC ACID
Isocitric acid
ME700521
1198
C00311
1.12
215.0161
CITRATE
Citric acid
ME700495
311
C00158
1.92
215.0164
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME700502
-
C00293;C01496
0.72
215.0324
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME700492
94214
C03619
1
217.0685
L-CYSTATHIONINE
Cystathionine
ME700467
439258
C02291
0.78
223.0746
L-CYSTINE
Cystine
ME700532
67678
-
0.72
239.016
CYTIDINE
Cytidine
ME700471
6175
C00475
1.68
242.0779
Glucose 6-phosphate/Fructose 6-phosphate
Glucose 6-phosphate
ME700535
-
C00085
0.75
259.022
URIDINE
Uridine
ME700515
6029
C00299
2.86
267.0589
GUANOSINE
Guanosine
ME700506
6802
C00387
6.01
284.0989
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME700539
53481030
-
1.1
304.0336
GLUTATHIONE
Glutathione
ME700484
124886
C00051
1.67
306.0769
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME700461
439197
C00270
0.9
308.0984
3'-CMP
3'-CMP
ME700544
6131
C05822
1.79
322.0441
CMP
CMP
ME700473
6131
C00055
1.11
322.0447
UMP
UMP
ME700516
6030
C00105
1.18
325.0433
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME700540
6083
C00020
1.69
346.055
SUCROSE
Sucrose
ME700508
5988
C00089
0.92
365.1055
2-alpha-D-glucosyl-D-glucose [M+Cl]-
-
ME700505
-
-
0.87
377.0849
UDP
UDP
ME700499
6031
C00015
0.81
402.9937
ADP
ADP
ME700526
6022
C00008
1.09
428.0368
GLYOXYLIC ACID
Glyoxylic acid
ME700500
760
C00048
0.87
72.9923
GLYCOLATE
Glycolic acid
ME700501
757
C00160
0.94
75.008
BETA-ALANINE
beta-Alanine
ME700475
239
C00099
0.79
88.0399
GLYCERALDEHYDE
Glyceraldehyde
ME700485
751
C02154
1.32
89.0239
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