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Return to study ST000252 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
ME701391
535
C01234
0.76
102.0555
2-AMINO-2-METHYLPROPANOATE
Aminoisobutyric acid
ME701390
6119
C03665
0.79
104.0714
CYTOSINE
Cytosine
ME701369
597
C00380
1.05
112.0511
URACIL
Uracil
ME701317
1174
C00106
1.42
113.035
5,6-DIHYDROURACIL
Dihydrouracil
ME701386
649
C00429
1.36
115.0506
L-PROLINE
Proline
ME701353
145742
C00148
0.85
116.071
BETAINE
Betaine
ME701377
247
C00719
0.87
118.0866
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME701351
-
-
1.11
118.0866
THREONINE/HOMOSERINE
Threonine/Homoserine
ME701324
-
-
0.73
120.0658
Phenylalanine-HCOOH
-
ME701331
-
-
6.19
120.0813
L-CYSTEINE
Cysteine
ME701360
594
C00097
0.76
122.0275
NICOTINAMIDE
Niacinamide
ME701337
936
C00153
1.62
123.0556
TAURINE
Taurine
ME701325
1123
C00245
0.7
126.0221
THYMINE
Thymine
ME701323
1135
C00178
3.3
127.0507
5-OXO-L-PROLINE
Pyroglutamic acid
ME701384
7405
C01879
1.85
130.0504
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME701329
439227
C00408
1.24
130.0864
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME701385
137
C00430
0.86
132.0662
CREATINE
Creatine
ME701372
586
C00300
0.9
132.077
LEUCINE
Leucine
ME701359
6106
C00123
2.48
132.1022
L-Isoleucine
Isoleucine
ME701357
6306
C00407
2.19
132.1022
ETHYLMALONIC ACID
Ethylmalonic acid
ME701366
11756
-
6.11
133.0499
3-UREIDOPROPIONATE
Ureidopropionic acid
ME701388
111
C02642
1.27
133.06
ASPARTATE
Aspartic acid
ME701378
5960
C00049
0.7
134.0452
ADENINE
Adenine
ME701383
190
C00147
1.5
136.062
HYPOXANTHINE
Hypoxanthine
ME701364
790
C00262
2.05
137.0461
L-Leucine-D10
Leucine
ME701355
16213587
-
2.44
142.1652
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME701387
500
C01035
1.61
146.0927
DEOXYCARNITINE
3-Dehydroxycarnitine
ME701368
725
C05543
1.28
146.1181
L-GLUTAMINE
Glutamine
ME701358
5961
C00064
0.72
147.0768
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME701336
22880
C12269
0.76
148.0605
TRANS-CINNAMATE
trans-Cinnamic acid
ME701322
444539
C00423
9.77
149.0601
L-METHIONINE
Methionine
ME701354
6137
C00073
1.42
150.0586
N-ACETYL-L-ALANINE
N-Acetylalanine
ME701343
88064
-
2.28
154.0476
(R)-MALATE
D-Malic acid
ME701392
92824
C00497
1.07
157.0108
L-CARNITINE
Carnitine
ME701361
288
-
0.94
162.1125
Phenylalanine
Phenylalanine
ME701332
6140
C00079
6.19
166.0862
PYRIDOXAL
Pyridoxal
ME701328
1050
C00250
1.9
168.0657
URATE
Uric acid
ME701316
1175
C00366
1.87
169.0361
ALDOPENTOSE
Aldopentose
ME701379
-
-
0.89
173.0425
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME701342
65065
C01042
1.48
176.0555
CITRULLINE
Citrulline
ME701374
9750
C00327
0.77
176.1031
CYS-GLY
Cys-Gly
ME701371
439498
-
0.92
179.049
L-TYROSINE
Tyrosine
ME701352
6057
C00082
3.39
182.081
PHOSPHOCHOLINE
Choline phosphate
ME701330
135437
-
0.72
184.0732
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME701389
1662
C03761
3.02
185.0424
O-PHOSPHOSERINE
Phosphoserine
ME701335
68841
C01005
0.76
186.0168
N-ACETYL-L-CYSTEINE
N-Acetylcysteine
ME701341
12035
C06809
3.17
186.0192
Tryptophan-NH3
Tryptophan
ME701318
6305
C00078
7.63
188.0705
N-ALPHA-ACETYL-L-LYSINE_R2
N(2)-Acetyllysine
ME701338
92907
C12989
1.28
189.1233
N-ALPHA-ACETYL-L-LYSINE_R1
N(2)-Acetyllysine
ME701339
92907
C12989
1.06
189.1234
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME701344
185
-
2.23
190.0712
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME701319
-
-
7.63
191.0897
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME701356
439283
-
0.84
191.1024
Caffeine-D3
Caffeine
ME701376
13001298
-
7.88
198.1061
Tryptophan
Tryptophan
ME701321
6305
C00078
7.63
205.0976
Tryptophan-2,3,3-D3
Tryptophan
ME701320
-
-
7.63
208.1156
CITRATE
Citric acid
ME701375
311
C00158
1.94
215.0161
ISOCITRIC ACID
Isocitric acid
ME701363
1198
C00311
1.12
215.0161
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME701346
94214
C03619
1.05
217.0687
N-Acetyl-Arginine
N-Acetylarginine
ME701345
67427
-
1.61
217.1295
O-SUCCINYL-L-HOMOSERINE
o-Succinylhomoserine
ME701334
439406
C01118
2.03
220.0815
Pantothenic Acid
Pantothenic acid
ME701333
988
C00864
6.62
220.1179
DEOXYCYTIDINE
Deoxycytidine
ME701367
13711
C00881
2.24
228.0981
L-ANSERINE
Anserine
ME701362
112072
C01262
0.75
241.1295
CYTIDINE
Cytidine
ME701370
6175
C00475
1.64
244.0922
PYRIDOXAL 5'-PHOSPHATE
Pyridoxal 5'-phosphate
ME701327
1051
C00018
1.78
248.0313
URIDINE
Uridine
ME701315
6029
C00299
2.87
267.0581
ADENOSINE
Adenosine
ME701382
60961
C00212
5.67
290.0862
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME701340
439197
C00270
0.82
310.1129
CMP
CMP
ME701373
6131
C00055
1.06
324.0601
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME701381
6083
C00020
1.67
348.0697
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME701365
6804
C00144
1.96
364.0653
S-(5'-ADENOSYL)-L-HOMOCYSTEINE
S-Adenosylhomocysteine
ME701326
439155
C00021
4.8
385.1292
LysoPE (18:1)
LPE 18:1
ME701347
9547071
-
13.46
480.3108
LysoPC (16:1)
LPC 16:1
ME701349
-
-
12.7
494.3233
LysoPC (16:0)
LPC 16:0
ME701350
460602
C04230
13.61
496.3421
LysoPC (18:0)
LPC 18:0
ME701348
-
-
14.75
524.3731
ALANINE/SARCOSINE
Alanine/Sarcosine
ME701380
-
-
0.72
90.0555
Analysis: ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME701457
11671
-
2.27
103.0399
GLYCERIC ACID
Glyceric acid
ME701437
439194
C00258
0.83
105.0191
URACIL
Uracil
ME701396
1174
C00106
1.42
111.02
CREATININE
Creatinine
ME701449
588
C00791
0.91
112.0516
Proline
Proline
ME701405
145742
C00148
0.79
114.0559
Fumaric Acid
Fumaric acid
ME701441
444972
C00122
2.07
115.0035
L-VALINE
Valine
ME701419
6287
C00183
1.12
116.0718
THREONINE/HOMOSERINE
Threonine/Homoserine
ME701399
-
-
0.73
118.0509
L-CYSTEINE
Cysteine
ME701425
594
C00097
0.78
120.0123
SUCCINIC ACID-13C6
Succinic acid
ME701402
1110
C00042
2.32
121.0327
NICOTINAMIDE
Niacinamide
ME701409
936
C00153
1.63
121.0409
Succinic-2,2,3,3-D4 Acid
-
ME701401
-
-
2.28
121.0446
TAURINE
Taurine
ME701400
1123
C00245
0.7
124.0075
5-OXO-L-PROLINE
Pyroglutamic acid
ME701465
7405
C01879
1.85
128.0351
N-ACETYL-L-ALANINE
N-Acetylalanine
ME701412
88064
-
2.24
130.0509
CREATINE
Creatine
ME701450
586
C00300
0.9
130.0621
LEUCINE
Leucine
ME701424
6106
C00123
2.5
130.0874
ASPARTATE
Aspartic acid
ME701454
5960
C00049
0.7
132.03
MALATE
Malic acid
ME701418
222656
C00149
1.07
133.0142
ADENINE
Adenine
ME701464
190
C00147
1.58
134.0471
HYPOXANTHINE
Hypoxanthine
ME701430
790
C00262
2.05
135.0314
Salicylic Acid-D4
Salicylic acid
ME701404
46782907
-
9.95
141.0496
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME701456
51
C00026
1.42
145.0144
L-GLUTAMINE
Glutamine
ME701423
5961
C00064
0.72
145.0616
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME701408
22880
C12269
0.75
146.0459
L-METHIONINE
Methionine
ME701421
6137
C00073
1.42
148.0439
ALDOPENTOSE
Aldopentose
ME701460
-
-
0.8
149.0451
XANTHINE
Xanthine
ME701393
1188
C00385
2.51
151.026
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME701466
1549098
C00606
0.76
152.0024
ALPHA-AMINOADIPATE_R2
Aminoadipic acid
ME701458
469
C00956
1.19
160.0614
ALPHA-AMINOADIPATE_R1
Aminoadipic acid
ME701459
469
C00956
0.9
160.0617
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME701467
1662
C03761
3.02
161.0457
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME701407
1005
C00074
0.87
166.9752
URATE
Uric acid
ME701395
1175
C00366
1.87
167.0208
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME701446
668
C00111
0.71
168.9908
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME701436
-
-
0.72
171.0061
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME701411
65065
C01042
1.48
174.0405
L-TYROSINE
Tyrosine
ME701420
6057
C00082
3.39
180.0666
HEXOSE ALCOHOL
-
ME701432
-
-
0.75
181.0715
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME701427
439278
-
0.74
184.9852
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME701415
185
-
2.22
188.056
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME701422
439283
-
0.82
189.0877
CITRATE
Citric acid
ME701453
311
C00158
1.94
191.0196
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME701440
-
-
0.76
195.0511
CITRIC ACID-13C6
Citric acid
ME701452
311
C00158
1.94
197.0399
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME701442
122357
C00279
0.86
199.0012
Tryptophan
Tryptophan
ME701398
6305
C00078
7.64
203.0824
Tryptophan-2,3,3-D3
Tryptophan
ME701397
-
-
7.64
206.101
D-SACCHARIC ACID
Glucaric acid
ME701443
33037
C00818
0.72
209.0304
PHOSPHOCHOLINE
Choline phosphate
ME701406
135437
-
0.73
218.0349
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME701413
-
-
0.81
220.0823
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME701444
-
-
0.74
229.0122
L-ANSERINE
Anserine
ME701426
112072
C01262
0.75
239.1146
CYTIDINE
Cytidine
ME701448
6175
C00475
1.65
242.0784
URIDINE
Uridine
ME701394
6029
C00299
2.87
243.0619
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME701414
439281
-
0.78
256.0603
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME701447
440997
C00352
0.75
258.0376
HEXOSE-PHOSPHATE
Hexose 6-phosphate
ME701431
-
-
0.71
259.0218
ADENOSINE
Adenosine
ME701463
60961
C00212
5.68
266.0895
INOSINE
Inosine
ME701429
6021
C00294
6.12
267.0728
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME701417
20393
C03343
13.55
277.1435
Guanosine
Guanosine
ME701434
6802
C00387
6.24
282.0836
Arachidonic Acid (20:4)
Arachidonic acid
ME701455
444899
C00219
16
303.2332
GLUTATHIONE
Glutathione
ME701439
124886
C00051
1.61
306.0754
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME701410
439197
C00270
0.8
308.0991
CMP
CMP
ME701451
6131
C00055
1.05
322.0443
Docosahexaenoic Acid (22:6)
DHA
ME701445
445580
C06429
15.76
327.2329
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME701462
6083
C00020
1.67
346.0558
INOSINE 5'-MONOPHOSPHATE
IMP
ME701428
8582
C00130
1.87
347.0408
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME701433
6804
C00144
1.96
362.0499
ADP
ADP
ME701461
6022
C00008
1.08
426.0206
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME701416
20393
C03343
13.62
540.331
GLYCOLATE
Glycolic acid
ME701435
757
C00160
0.86
75.0081
SARCOSINE/BETA-ALANINE
-
ME701403
-
-
0.9
88.0399
GLYCERALDEHYDE/LACTATE
-
ME701438
-
-
1.22
89.0239
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