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Return to study ST000572 main page
Analysis: UHPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME169336
119
-
0.79
104.0708
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME169340
137
-
0.78
132.0656
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME169394
185
-
2.14
190.0711
ADENINE
Adenine
ME169347
190
-
1.42
136.0619
BETAINE
Betaine
ME169352
247
-
0.80
118.0864
Choline
Choline
ME169356
305
-
0.83
104.1071
CITRATE
Citric acid
ME169358
311
-
1.86
215.0161
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME169337
500
-
1.57
146.0925
CREATININE
Creatinine
ME169360
588
-
0.92
114.0664
CYTOSINE
Cytosine
ME169362
597
-
0.81
112.0504
DEOXYCARNITINE
3-Dehydroxycarnitine
ME169363
725
-
1.28
146.1176
GLUTARATE
Glutaric acid
ME169374
743
-
4.64
155.0306
GUANINE
Guanine
ME169376
764
-
1.44
152.0568
HYPOXANTHINE
Hypoxanthine
ME169378
790
-
1.96
137.0459
L-LEUCINE
Leucine
ME169385
857
-
2.49
132.1021
Formylkynurenine
N-Formyl-L-kynurenine
ME169372
910
-
10.67
237.0868
NICOTINAMIDE
Niacinamide
ME169402
936
-
1.50
123.0555
PHENETHYLAMINE
Phenylethylamine
ME169409
1001
-
6.85
122.0965
PICOLINIC ACID
Picolinic acid
ME169411
1018
-
1.31
124.0396
Pyridine
Pyridine
ME169413
1049
-
1.10
80.0496
PYRIDOXAL
Pyridoxal
ME169414
1050
-
1.85
168.0656
CITRAMALATE
Citramalic acid
ME169357
1081
-
2.19
171.0265
SUCCINATE
Succinic acid
ME169416
1110
-
2.24
141.0160
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME169418
1128
-
2.24
105.0370
URACIL
Uracil
ME169426
1174
-
1.35
113.0347
URATE
Uric acid
ME169427
1175
-
1.78
169.0358
Acetaminophen/Paracetamol
Acetaminophen
ME169346
1983
-
6.89
152.0708
Dibutyl phthalate
Dibutyl phthalate
ME169366
3026
-
14.70
279.1588
Trigonelline
Trigonelline
ME169422
5570
-
0.97
138.0551
TYRAMINE
Tyramine
ME169425
5610
-
4.49
138.0916
ASPARTATE
Aspartic acid
ME169351
5960
-
0.71
134.0449
URIDINE
Uridine
ME169428
6029
-
2.75
267.0585
Phenylalanine
Phenylalanine
ME169410
6140
-
6.23
166.0864
CYTIDINE
Cytidine
ME169361
6175
-
1.55
244.0926
Tryptophan
Tryptophan
ME169423
6305
-
7.63
205.0974
L-Isoleucine
Isoleucine
ME169384
6306
-
2.14
132.1020
Dipropylene glycol
-
ME169367
6510
-
6.51
157.0836
Triethyl phosphate
Triethyl phosphate
ME169421
6535
-
9.31
183.0781
Pantothenic Acid
Pantothenic acid
ME169407
6613
-
6.60
220.1178
5-OXO-L-PROLINE
Pyroglutamic acid
ME169345
7405
-
1.76
130.0501
Monobutyl phthalate
Monobutylphthalate
ME169392
8575
-
12.39
223.0965
2,4-DIHYDROXYPTERIDINE
Lumazine
ME169330
10250
-
3.50
165.0408
L-CARNITINE
Carnitine
ME169381
10917
-
0.88
162.1125
N-ACETYLGLYCINE
N-Acetylglycine
ME169395
10972
-
1.48
140.0344
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME169332
11897
-
8.52
151.0754
DEOXYCYTIDINE
Deoxycytidine
ME169364
13711
-
2.15
228.0976
DEOXYURIDINE
Deoxyuridine
ME169365
13712
-
4.37
251.0635
N-Butylbenzenesulfonamide
-
ME169401
19241
-
11.88
214.0895
Sulcatol
(R)-Sulcatol
ME169417
20745
-
8.96
129.1275
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME169404
22880
-
0.77
148.0604
Norephedrine
Phenylpropanolamine
ME169405
26934
-
6.36
152.1070
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME169338
36143
-
0.81
168.0662
ADENOSINE
Adenosine
ME169348
60961
-
5.65
268.1037
PEG n5
Pentaethylene glycol
ME169408
62551
-
7.06
261.1307
Isocytosine
2-Amino-4-hydroxypyrimidine
ME169379
66950
-
1.55
112.0507
N-Acetyl-Arginine
N-Acetylarginine
ME169393
67427
-
1.60
217.1291
Glycyl-L-leucine
Gly-Leu
ME169375
92843
-
6.78
189.1234
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME169339
96215
-
0.96
127.0501
L-ALLOTHREONINE
Allothreonine
ME169380
99289
-
0.89
142.0499
N-BOC-L-Aspartic Acid
Aspartic acid
ME169397
99718
-
-
134.0448
Stachydrine
Stachydrine
ME169415
115244
-
0.96
144.102
BOC-L-Tyrosine
Tyrosine
ME169354
117439
-
-
182.0812
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME169396
122356
-
1.05
131.1180
1,3-Benzodioxolyl-N-methylbutanamine (MBDB)
-
ME169329
124844
-
9.15
208.1316
3-AMINO-5-HYDROXYBENZOIC ACID
3-Amino-5-hydroxybenzoic acid
ME169334
127115
-
2.00
154.0502
L-PROLINE
Proline
ME169389
145742
-
0.81
116.0708
3-METHYL-2-OXINDOLE
3-Methyloxindole
ME169335
150923
-
8.82
148.0757
ERYTHRITOL
Erythritol
ME169371
222285
-
0.76
145.0495
5-Hydroxymethyl-2-furaldehyde_R1
5-Hydroxymethyl-2-furancarboxaldehyde
ME169342
237332
-
0.76
127.0391
5-Hydroxymethyl-2-furaldehyde_R2
5-Hydroxymethyl-2-furancarboxaldehyde
ME169343
237332
-
0.89
127.0391
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME169341
439182
-
6.04
252.1089
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME169412
439227
-
1.19
130.0864
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME169344
440744
-
11.13
253.0816
TRANS-CINNAMATE
trans-Cinnamic acid
ME169420
444539
-
9.75
149.0597
Palmitoleic acid
Palmitoleic acid
ME169406
445638
-
14.17
255.2316
TRANS-CINNAMALDEHYDE
Cinnamaldehyde
ME169419
637511
-
7.85
133.0606
BOC-D-Phenylalanine
-
ME169353
637610
-
11.41
166.0864
UROCANATE
Urocanic acid
ME169429
736715
-
1.92
139.0504
N-BOC-L-tert-Leucine
-
ME169398
2734668
-
10.86
132.1019
METHYL JASMONATE
Methyl jasmonate
ME169391
5281929
-
11.66
225.1484
Ergothioneine
Ergothioneine
ME169369
5351619
-
1.29
231.0975
Erucamide
13Z-Docosenamide
ME169370
5365371
-
16.82
338.3412
3,5-Di-tert-butylbenzaldehyde
-
ME169333
6440942
-
14.28
219.1743
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME169331
6950574
-
3.33
182.0813
D-Ribose
Ribose
ME169368
10975657
-
0.82
173.0420
Caffeine-D3
Caffeine
ME169355
13001298
-
7.88
198.1065
L-Leucine-D10
Leucine
ME169387
16213587
-
2.46
142.1647
ALANINE/SARCOSINE
Alanine/Sarcosine
ME169349
-
-
0.71
90.0551
ALDO/KETO-HEXOSE
Hexose
ME169350
-
-
0.71
203.0525
Creatine-D3
Creatine
ME169359
-
-
0.89
135.0958
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME169373
-
-
0.72
219.0476
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME169377
-
-
0.81
365.1047
Leu Pro_R1
Leu-Pro
ME169382
-
-
7.30
229.1545
Leu Pro_R2
Leu-Pro
ME169383
-
-
7.17
229.1545
L-Leucine 13C6
Leucine
ME169386
-
-
2.50
138.1222
L-Phenylalanine 13C6
Phenylalanine
ME169388
-
-
6.22
172.1065
L-Tyrosine 13C6
Tyrosine
ME169390
-
-
3.33
188.1013
N-BOC-L-Tryptophan_R1
Tryptophan
ME169399
-
-
-
205.0972
N-BOC-L-Tryptophan_R2
Tryptophan
ME169400
-
-
-
327.1310
NICOTINAMIDE-N-OXIDE
Nicotinamide N-oxide
ME169403
-
-
1.51
139.0504
Tryptophan-2,3,3-D3
Tryptophan
ME169424
-
-
7.63
208.1160
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME169437
126
-
8.10
121.0299
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME169470
185
-
2.16
188.0568
ADENINE
Adenine
ME169440
190
-
1.44
134.0476
ANTHRANILATE
2-Aminobenzoic acid
ME169442
227
-
7.96
136.0407
CITRATE
Citric acid
ME169447
311
-
1.87
191.0201
LACTATE
Lactic acid
ME169462
612
-
1.21
89.0242
GUANINE
Guanine
ME169458
764
-
1.45
150.0422
HYPOXANTHINE
Hypoxanthine
ME169460
790
-
1.99
135.0315
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME169431
873
-
8.72
165.0560
N-ACETYLSEROTONIN
N-Acetylserotonin
ME169473
903
-
8.10
218.1018
SUCCINATE
Succinic acid
ME169482
1110
-
2.26
117.0195
URATE
Uric acid
ME169486
1175
-
1.79
167.0212
XANTHINE
Xanthine
ME169488
1188
-
2.44
151.0264
3-tert-Butyladipic acid
Sebacic acid
ME169436
5192
-
9.85
201.1137
GLUCOSE/FRUCTOSE_R2
Hexose
ME169456
5793
-
0.72
217.0300
Inosine
Inosine
ME169461
6021
C00294
0.86
267.0725
URIDINE
Uridine
ME169487
6029
-
2.78
243.0625
L-TYROSINE
Tyrosine
ME169465
6057
-
3.35
180.0670
Guanosine
Guanosine
ME169459
6802
-
6.23
282.0848
Monobutyl phthalate
Monobutylphthalate
ME169469
8575
-
11.40
221.0825
2,4-DIHYDROXYPTERIDINE
Lumazine
ME169430
10250
-
3.52
163.0264
ETHYLMALONIC ACID
Ethylmalonic acid
ME169453
11756
-
6.06
131.0353
Xylenesulfonate
-
ME169489
11868
-
8.24
185.0282
3-methyladipic acid
3-Methyladipic acid
ME169434
12292
-
7.85
159.0668
DEOXYURIDINE
Deoxyuridine
ME169449
13712
-
4.40
227.0678
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME169439
14490
-
7.90
131.0718
Dinoterb (herbicide)
-
ME169451
14994
-
14.31
239.0681
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME169468
20393
-
13.53
277.1449
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME169433
26612
-
11.30
187.1343
L-GLUTAMIC ACID
Glutamic acid
ME169463
33032
-
0.77
146.0462
3-Aminosalicylic acid
3-Aminosalicylic acid
ME169432
68443
-
11.04
152.0357
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME169472
70912
-
7.56
172.0983
ASPARTATE
Aspartic acid
ME169443
83887
-
0.72
132.0306
MALATE
Malic acid
ME169467
92824
-
1.06
133.0145
4-oxoproline
4-Oxo-proline
ME169438
107541
-
1.78
128.0356
Sulfoacetaldehyde
Sulfoacetaldehyde
ME169484
160226
-
0.74
122.9760
GLYCERIC ACID
Glyceric acid
ME169457
439194
-
0.83
105.0192
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME169471
439281
-
0.77
256.0603
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME169480
439377
-
0.81
160.0619
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME169435
1549098
-
0.78
152.0026
L-Tyrosine-13C6
Tyrosine
ME169466
12144755
-
3.35
186.0870
SUCCINIC ACID-13C4
Succinic acid
ME169483
16213533
-
2.26
121.0331
CITRIC ACID-13C6
Citric acid
ME169448
16217547
-
1.87
197.0400
Salicylic Acid-D4
Salicylic acid
ME169481
46782907
-
9.96
141.0500
L-Phenylalanine-13C6
Phenylalanine
ME169464
71309396
-
6.24
170.0922
ALDOPENTOSE
Aldopentose
ME169441
-
-
0.85
149.0458
BOC-L-Tyrosine_R1
Tyrosine
ME169444
-
-
-
206.0462
BOC-L-Tyrosine_R2
Tyrosine
ME169445
-
-
-
280.1195
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME169446
-
-
0.78
179.0564
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME169450
-
-
0.78
193.0358
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME169452
-
-
0.78
377.0862
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME169454
-
-
0.74
195.0513
GLUCOSE/FRUCTOSE_R1
Hexose
ME169455
-
C00293;C01496
0.72
215.0332
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME169474
-
-
-
232.0831
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME169475
-
-
-
158.0098
N-BOC-L-tert-Leucine_R1
-
ME169476
-
-
10.87
156.0669
N-BOC-L-tert-Leucine_R2
-
ME169477
-
-
10.87
230.1401
N-BOC-L-Tryptophan_R1
Tryptophan
ME169478
-
-
-
303.1356
N-BOC-L-Tryptophan_R2
Tryptophan
ME169479
-
-
-
229.0622
Tryptophan-2,3,3-D3
Tryptophan
ME169485
-
-
7.63
206.1018
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