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Return to study ST000424 main page
Analysis: Reversed phase 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
ME149185
535
-
0.74
102.0552
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME149299
119
-
0.8
104.0707
DIETHANOLAMINE
Diethanolamine
ME149341
8113
-
0.71
106.0863
HYPOTAURINE
Hypotaurine
ME149357
107812
-
0.71
110.0272
CYTOSINE
Cytosine
ME149337
597
-
0.83
112.0507
URACIL
Uracil
ME149413
1174
-
1.37
113.0348
CREATININE
Creatinine
ME149334
588
-
0.89
114.0666
GLYCEROL
Glycerol
ME149351
753
-
0.8
115.0394
L-PROLINE
Proline
ME149375
145742
-
0.84
116.0708
BETAINE
Betaine
ME149325
247
-
0.81
118.0864
THREONINE/HOMOSERINE
Threonine/Homoserine
ME149405
-
-
0.72
120.0657
Phenylalanine-HCOOH
-
ME149394
-
-
6.05
120.0809
L-CYSTEINE
Cysteine
ME149366
5862
-
0.75
122.0274
PHENETHYLAMINE
Phenylethylamine
ME149392
1001
-
6.88
122.0965
PICOLINIC ACID
Picolinic acid
ME149396
1018
-
1.31
124.0398
TAURINE
Taurine
ME149404
1123
-
0.71
126.0247
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME149304
65040
-
1.12
126.0664
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME149302
96215
-
1.1
127.0506
THYMINE
Thymine
ME149406
1135
-
3.26
127.0506
5-OXO-L-PROLINE
Pyroglutamic acid
ME149305
7405
-
1.89
130.0504
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME149397
439227
-
1.17
130.0864
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME149384
122356
-
1.06
131.1182
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME149301
5810
-
0.74
132.0657
CREATINE
Creatine
ME149332
586
-
0.88
132.077
Leucine
Leucine
ME149367
857
-
2.34
132.1022
L-Isoleucine
Isoleucine
ME149371
6306
-
2.06
132.1022
3-UREIDOPROPIONATE
Ureidopropionic acid
ME149298
111
-
1.23
133.0608
ASPARTATE
Aspartic acid
ME149324
5960
-
0.72
134.0452
Creatine-D3
Creatine
ME149333
-
-
0.88
135.0957
ADENINE
Adenine
ME149318
190
-
1.77
136.0618
HYPOXANTHINE
Hypoxanthine
ME149358
790
-
2.01
137.0462
ANTHRANILATE/4-AMINOBENZOATE
-
ME149323
-
-
7.96
138.0551
SUCCINATE
Succinic acid
ME149403
1110
-
2.29
141.016
METHYLMALONATE
Methylmalonic acid
ME149378
487
-
2.88
141.0185
L-Leucine-D10
Leucine
ME149373
16213587
-
2.3
142.1651
ERYTHRITOL
Erythritol
ME149344
222285
-
0.96
145.05
L-GLUTAMINE
Glutamine
ME149369
5961
-
0.72
147.0767
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME149388
22880
-
0.75
148.0604
TRANS-CINNAMATE
trans-Cinnamic acid
ME149407
444539
-
9.76
149.0601
L-METHIONINE
Methionine
ME149374
6137
-
1.34
150.0585
GUANINE
Guanine
ME149352
764
-
1.4
152.0569
Acetaminophen/Paracetamol
Acetaminophen
ME149317
1983
-
7.04
152.0706
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME149297
1549098
-
0.85
154.0169
N-ACETYL-L-ALANINE
N-Acetylalanine
ME149381
88064
-
2.38
154.0461
3-AMINO-4-HYDROXYBENZOIC ACID
3-Amino-4-hydroxybenzoic acid
ME149293
65083
-
1.89
154.0477
(R)-MALATE
D-Malic acid
ME148999
92824
-
1.12
157.0108
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME149322
-
-
1.04
162.0764
L-CARNITINE
Carnitine
ME149364
10917
-
0.9
162.1123
Phenylalanine
Phenylalanine
ME149393
6140
-
6.05
166.0868
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME149300
36143
-
0.96
168.0655
3-METHOXYTYRAMINE
3-Methoxytyramine
ME149296
1669
-
6.28
168.1018
URATE
Uric acid
ME149414
1175
-
1.85
169.0358
L-CYSTEIC ACID
Cysteic acid
ME149365
72886
-
0.86
170.0119
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME149379
64969
-
0.71
170.0924
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME149342
668
-
0.91
171.0051
CITRAMALATE
Citramalic acid
ME149328
1081
-
2.34
171.0262
Gallic Acid
Gallic acid
ME149345
370
-
7.14
171.0349
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME149402
439162
-
0.9
173.0209
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME149382
65065
-
1.57
176.0554
N-AMIDINO-L-ASPARTATE
Guanidinosuccinic acid
ME149387
439918
-
0.83
176.0664
CITRULLINE
Citrulline
ME149330
9750
-
0.77
176.1029
CYS-GLY
Cys-Gly
ME149335
439498
-
0.89
179.0486
S-CARBOXYMETHYL-L-CYSTEINE
S-Carboxymethyl-cysteine
ME149401
193653
-
0.89
180.033
Hippuric Acid
Hippuric acid
ME149355
464
-
7.97
180.0654
GLUCOSAMINE/MANNOSAMINE
-
ME149346
-
-
0.73
180.087
PHOSPHOCHOLINE
Choline phosphate
ME149395
1014
-
0.72
184.073
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME149295
1662
-
2.98
185.0421
4-O-Methylgallic Acid
4-O-Methylgallic acid
ME149303
78016
-
7.07
185.0439
O-PHOSPHOSERINE
Phosphoserine
ME149390
106
-
0.82
186.0163
Tryptophan-NH3
Tryptophan
ME149412
-
-
7.6
188.0704
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME149386
92907
-
1.01
189.1234
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME149380
185
-
2.28
190.0712
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME149411
-
-
7.6
191.0894
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME149372
439283
-
0.82
191.1031
Hydroxyhippuric acid
Hydroxyhippuric acid
ME149356
10253
-
7.97
196.0393
Caffeine 13C3
Caffeine
ME149326
-
-
7.89
198.0985
Caffeine-D3
Caffeine
ME149327
13001298
-
7.88
198.1065
ALDO/KETO-HEXOSE
Hexose
ME149321
-
-
0.72
203.0523
Tryptophan
Tryptophan
ME149409
6305
-
7.6
205.0972
Tryptophan-2,3,3-D3
Tryptophan
ME149410
-
-
7.6
208.1166
KYNURENINE
Kynurenine
ME149362
846
-
6.33
209.0922
ISOCITRIC ACID
Isocitric acid
ME149360
1198
-
1.19
215.0168
CITRATE
Citric acid
ME149329
311
-
2.12
215.0169
QUINATE
Quinic acid
ME149399
6508
-
0.91
215.0491
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME149377
94214
-
1.04
217.0682
Proprionylcarnitine
CAR DC3:0
ME149398
-
-
6.58
218.1385
Pantothenic Acid
Pantothenic acid
ME149391
6613
-
6.6
220.1185
Ribulose 5-Phosphate
Ribulose 5-phosphate
ME149400
439184
C00199
0.9
231.0271
Isobutyrylcarnitine/Butyrylcarnitine
CAR 4:0
ME149359
-
-
7.37
232.1541
Lidocaine
Lidocaine
ME149370
3676
-
8.39
235.1806
Isovalerylcarnitine/Valerylcarnitine
CAR 5:0
ME149361
-
-
7.95
246.1699
2'-DEOXYADENOSINE
Deoxyadenosine
ME149278
13730
-
5.94
252.1093
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME149340
440997
-
0.85
260.0529
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME149353
-
-
0.88
261.0362
URIDINE
Uridine
ME149415
6029
-
2.81
267.0589
GLUCOSE/FRUCTOSE-PHOSPHATE
-
ME149347
-
-
0.88
283.0193
XANTHOSINE
Xanthosine
ME149416
64959
-
6.1
285.0835
Octanoylcarnitine
CAR 8:0
ME149389
123701
-
10.29
288.2176
Glutathione Disulfide_R1
Oxidized glutathione
ME149349
-
-
3.99
307.083
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME149383
439197
-
0.9
310.1138
Decanoylcarnitine
CAR 10:0
ME149339
10245190
-
11.47
316.2487
CMP
CMP
ME149331
6131
-
1.06
324.0584
3'-CMP
3'-CMP
ME149294
6131
-
1.5
324.0588
Glutathione
Glutathione
ME149348
124886
-
1.57
330.0724
Dodecanoylcarnitine
CAR 12:0
ME149343
168381
-
12.62
344.2797
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME149319
6083
-
1.79
348.0707
Levofloxacin
Ofloxacin
ME149368
149096
-
8.52
362.1517
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME149354
-
-
0.94
365.1045
Trazodone
Trazodone
ME149408
5533
-
9.83
372.1594
CYTIDINE 5'-DIPHOSPHOCHOLINE
CDP-choline
ME149336
13804
-
0.91
489.1165
LysoPC (16:0)
LPC 16:0
ME149376
460602
-
13.68
496.3418
D-(+)-RAFFINOSE
Raffinose
ME149338
439242
-
0.97
527.159
Glutathione Disulfide_R2
Oxidized glutathione
ME149350
-
-
3.99
613.1581
NAD
NAD+
ME149385
5893
-
3.78
664.1205
ALANINE/SARCOSINE
Alanine/Sarcosine
ME149320
-
-
0.71
90.0552
L-(+)-Lactic Acid
Lactic acid
ME149363
107689
-
0.85
91.0391
Analysis: Reversed phase 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
ME149459
11671
-
2.18
103.0396
URACIL
Uracil
ME149502
1174
-
1.37
111.0196
FUMARATE
Fumaric acid
ME149473
444972
-
2.27
115.0036
SUCCINATE
Succinic acid
ME149495
1110
-
2.29
117.0191
THREONINE/HOMOSERINE
Threonine/Homoserine
ME149500
-
-
0.72
118.0509
SUCCINIC ACID-13C4
Succinic acid
ME149496
16213533
-
2.29
121.0327
NICOTINAMIDE
Niacinamide
ME149492
936
-
1.53
121.0407
Succinic-2,2,3,3-D4 Acid
-
ME149497
-
-
2.25
121.0441
TAURINE
Taurine
ME149499
1123
-
0.72
124.0073
5-OXO-L-PROLINE
Pyroglutamic acid
ME149453
7405
-
1.88
128.035
CREATINE
Creatine
ME149465
586
-
0.89
130.0621
ETHYLMALONIC ACID
Ethylmalonic acid
ME149471
11756
-
6.07
131.0347
GLUTARATE
Glutaric acid
ME149476
743
-
4.65
131.0347
MALATE
Malic acid
ME149487
92824
-
1.12
133.0139
ADENINE
Adenine
ME149457
190
-
1.35
134.047
HYPOXANTHINE
Hypoxanthine
ME149483
790
-
2.01
135.0306
2-AMINOETHYL DIHYDROGEN PHOSPHATE
Phosphoethanolamine
ME149444
1015
-
0.7
140.0114
Salicylic Acid-D4
Salicylic acid
ME149494
46782907
-
10.14
141.0494
L-GLUTAMINE
Glutamine
ME149486
5961
-
0.72
145.0614
L-GLUTAMIC ACID
Glutamic acid
ME149485
33032
-
0.74
146.0457
CITRAMALATE
Citramalic acid
ME149461
1081
-
2.32
147.0299
TARTARIC ACID
Tartaric acid
ME149498
444305
-
1.08
149.0087
XANTHINE
Xanthine
ME149505
1188
-
2.48
151.0258
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME149450
1662
-
3
161.0456
URATE
Uric acid
ME149503
1175
-
1.85
167.021
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME149468
668
-
0.89
168.9904
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME149480
-
-
0.88
171.0065
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME149490
65065
-
1.57
174.0404
Ascorbic acid
Vitamin C
ME149460
54670067
-
1.18
175.0241
HEXOSE ALCOHOL
-
ME149482
-
-
0.73
181.0712
O-PHOSPHOSERINE
Phosphoserine
ME149493
106
-
0.84
184.0016
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME149489
185
-
2.28
188.0565
CITRATE
Citric acid
ME149462
311
-
2.1
191.0192
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME149467
-
-
0.75
193.0353
2-Hydroxyhippuric acid
Salicyluric acid
ME149445
10253
-
7.22
194.0453
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME149474
-
-
0.75
195.0504
CITRIC ACID-13C6
Citric acid
ME149463
16217547
-
2.1
197.0395
Tryptophan-2,3,3-D3
Tryptophan
ME149501
-
-
7.6
206.101
D-SACCHARIC ACID
Glucaric acid
ME149470
33037
-
0.85
209.0296
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME149475
-
C00293
0.73
215.0323
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME149469
-
-
0.9
229.0111
URIDINE
Uridine
ME149504
6029
-
2.81
243.0622
INOSINE
Inosine
ME149484
6021
-
6.08
267.0729
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME149454
91493
-
1.1
275.0188
Guanosine
Guanosine
ME149481
6802
-
6.21
282.0835
GLUTATHIONE
Glutathione
ME149477
124886
-
1.57
306.0752
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME149491
439197
-
0.9
308.0989
CMP
CMP
ME149464
6131
-
1.06
322.0451
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME149472
10267
C00354
0.86
338.9878
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME149458
6083
-
1.78
346.055
D-(+)-RAFFINOSE
Raffinose
ME149466
439242
-
0.99
503.1585
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME149488
20393
-
13.68
540.3291
Glyceraldehyde
Glyceraldehyde
ME149478
751
C02154
0.73
89.0237
GLYCERALDEHYDE/LACTATE
-
ME149479
-
-
1.23
89.0237
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