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Return to study ST001163 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
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME277310
17520
-
9.91
152.0163
Isocytosine
2-Amino-4-hydroxypyrimidine
ME277345
66950
-
1.52
112.0506
Anthranilate
2-Aminobenzoic acid
ME277326
227
-
8.56
120.0443
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME277312
6950574
-
3.26
182.0809
BUTYROBETAINE_R1
3-Dehydroxycarnitine
ME277330
-
C01181
1.08
146.1174
BUTYROBETAINE_R2
3-Dehydroxycarnitine
ME277331
-
C01181
1.18
146.1174
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME277316
500
-
1.52
146.0922
5-(Dihydroxyphenyl)-gamma-Valerolactone
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone
ME277317
152432
-
7.18
209.0784
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME277318
137
-
0.74
132.0651
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME277320
237332
-
0.77
127.0389
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME277319
144
-
6.63
221.0916
ALANINE/SARCOSINE
Alanine/Sarcosine
ME277322
-
-
0.78
90.0550
ALDOPENTOSE
Aldopentose
ME277323
-
-
0.93
173.0426
Allopurinol
Allopurinol
ME277324
2094
-
6.04
137.0457
L-ASPARAGINE
Asparagine
ME277347
6267
-
0.71
133.0606
N-BOC-L-Aspartic Acid
Aspartic acid
ME277360
99718
-
-
134.0446
BETAINE
Betaine
ME277327
247
-
0.78
118.0862
Decanoylcarnitine
CAR 10:0
ME277336
10245190
-
11.60
316.2476
Isobutyrylcarnitine
CAR 3:0;2Me
ME277344
10177002
-
7.37
232.1539
Isovalerylcarnitine
CAR 4:0;3Me
ME277346
169235
-
8.04
246.1695
Valerylcarnitine
CAR 5:0
ME277388
6426903
-
7.89
246.1695
Acyl-Carnitine(5-OH)
CAR 5:0;OH
ME277321
-
-
6.58
262.1643
Octanoylcarnitine
CAR 8:0
ME277368
11953814
-
10.36
288.2163
Proprionylcarnitine
CAR DC3:0
ME277373
107738
-
6.55
218.1383
L-CARNITINE
Carnitine
ME277348
10917
-
0.90
162.1121
Choline
Choline
ME277332
305
-
0.80
104.107
CITRULLINE
Citrulline
ME277333
9750
-
0.77
176.1025
CREATINE
Creatine
ME277334
586
-
0.88
132.0769
Creatine-D3
Creatine
ME277335
-
-
0.88
135.0954
2'-DEOXYADENOSINE
Deoxyadenosine
ME277311
13730
-
6.00
252.1086
DEOXYCYTIDINE
Deoxycytidine
ME277337
13711
-
2.10
228.0969
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME277313
6047
-
2.25
198.0757
4-AMINOBUTANOATE (GABA)_R1
gamma-Aminobutyric acid
ME277314
119
-
0.77
104.0706
4-AMINOBUTANOATE (GABA)_R2
gamma-Aminobutyric acid
ME277315
119
-
0.97
104.0706
L-GLUTAMINE_R1
Glutamine
ME277349
5961
-
0.73
147.0762
L-GLUTAMINE_R2
Glutamine
ME277350
5961
-
0.92
147.0760
Glycyl-L-leucine
Gly-Leu
ME277340
92843
-
6.71
189.1229
GUANINE
Guanine
ME277341
764
-
1.41
152.0561
HOMOCYSTEINE
Homocysteine
ME277342
778
-
0.98
136.0423
HYPOXANTHINE
Hypoxanthine
ME277343
790
-
1.96
137.0458
L-Isoleucine
Isoleucine
ME277351
6306
-
2.10
132.1019
L-KYNURENINE
Kynurenine
ME277352
161166
-
6.38
209.0914
L-LEUCINE
Leucine
ME277353
857
-
2.37
132.1019
L-Leucine 13C6
Leucine
ME277354
-
-
2.37
138.1221
L-Leucine-D10
Leucine
ME277355
16213587
-
2.34
142.1645
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME277358
94214
-
0.99
217.0685
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME277359
92907
-
0.95
189.1229
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME277364
440120
-
0.71
189.1595
Formylkynurenine
N-Formyl-L-kynurenine
ME277338
910
-
10.63
237.0865
NICOTINAMIDE_R1
Niacinamide
ME277365
936
-
1.55
123.0553
NICOTINAMIDE_R2
Niacinamide
ME277366
936
-
1.39
123.0553
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME277367
22880
-
0.75
148.0602
L-Phenylalanine 13C6
Phenylalanine
ME277356
-
-
6.15
172.1068
Phenylalanine
Phenylalanine
ME277370
6140
-
6.10
166.0861
PHENETHYLAMINE
Phenylethylamine
ME277369
1001
-
6.74
122.0963
PICOLINIC ACID
Picolinic acid
ME277371
1018
-
1.29
124.0394
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME277372
439227
-
1.12
130.0862
L-PROLINE
Proline
ME277357
145742
-
0.82
116.0706
Pyroglutamic Acid
Pyroglutamic acid
ME277374
7405
-
1.72
130.0499
SEROTONIN
Serotonin
ME277375
5202
-
6.86
177.1020
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME277339
71920
-
0.75
258.1095
Stachydrine
Stachydrine
ME277377
115244
-
0.92
144.1018
SUCCINATE
Succinic acid
ME277378
1110
-
2.19
141.0156
TAURINE
Taurine
ME277379
1123
-
0.72
126.0223
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME277380
1128
-
2.17
105.0369
THREONINE/HOMOSERINE_R1
Threonine/Homoserine
ME277381
-
-
0.73
120.0655
THREONINE/HOMOSERINE_R2
Threonine/Homoserine
ME277382
-
-
0.86
120.0654
Trigonelline
Trigonelline
ME277383
5570
-
0.90
138.0547
N-BOC-L-Tryptophan_R1
Tryptophan
ME277362
-
-
-
205.0968
N-BOC-L-Tryptophan_R2
Tryptophan
ME277363
-
-
-
327.1308
Tryptophan
Tryptophan
ME277384
6305
-
7.62
205.0970
Tryptophan-2,3,3-D3
Tryptophan
ME277385
-
-
7.61
208.1156
Tryptophan-NH3
Tryptophan
ME277386
-
-
7.61
188.0703
BOC-L-Tyrosine
Tyrosine
ME277329
117439
-
-
182.0809
URATE
Uric acid
ME277387
1175
-
1.79
169.0357
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME277325
-
-
0.82
162.0759
BOC-D-Phenylalanine
-
ME277328
637610
-
11.38
166.0861
N-BOC-L-tert-Leucine
-
ME277361
2734668
-
10.84
132.1017
Source Fragment TRP
-
ME277376
-
-
7.62
118.0651
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME277389
17520
-
9.90
150.0016
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME277421
439283
-
0.82
189.0879
ANTHRANILATE
2-Aminobenzoic acid
ME277394
227
-
7.87
136.0403
ADENINE
Adenine
ME277392
190
-
1.41
134.0471
ALDOPENTOSE
Aldopentose
ME277393
-
-
0.96
149.0453
L-ANSERINE
Anserine
ME277415
112072
-
0.83
239.1143
Arachidonic Acid (20:4)
Arachidonic acid
ME277395
444899
-
15.88
303.2325
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME277430
-
-
-
232.0825
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME277431
-
-
-
158.0093
L-CARNITINE
Carnitine
ME277416
10917
-
0.93
196.0742
CARNOSINE
Carnosine
ME277401
439224
-
0.72
225.0992
Chenodeoxycholic Acid (CDCA)
Chenodeoxycholic acid
ME277402
-
-
12.19
437.2904
CITRIC ACID-13C6
Citric acid
ME277403
16217547
-
1.82
197.0396
CREATINE
Creatine
ME277404
586
-
0.89
130.0621
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME277391
6047
-
2.25
196.0611
Fumaric Acid
Fumaric acid
ME277407
444972
C00122
1.95
115.0035
D-SACCHARIC ACID
Glucaric acid
ME277406
33037
-
0.75
209.0300
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME277408
-
-
0.74
195.0508
L-GLUTAMIC ACID_R1
Glutamic acid
ME277417
33032
-
0.75
146.0458
L-GLUTAMIC ACID_R2
Glutamic acid
ME277418
33032
-
0.86
146.0457
L-GLUTAMINE
Glutamine
ME277419
5961
-
0.73
145.0617
GLYCERIC ACID
Glyceric acid
ME277411
439194
-
1.00
105.0189
GLYCOLATE
Glycolic acid
ME277412
757
-
0.85
75.0081
Guanosine
Guanosine
ME277413
6802
-
6.27
282.0841
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME277400
-
-
0.91
179.0559
GLUCOSE/FRUCTOSE_R1
Hexose
ME277409
-
C00293/C01496
0.72
215.0325
GLUCOSE/FRUCTOSE_R2
Hexose
ME277410
5793
-
0.73
217.0298
Inosine
Inosine
ME277414
135398641
C00294
0.96
267.0715
L-ISOLEUCINE
Isoleucine
ME277420
6306
-
2.33
130.0872
MALATE
Malic acid
ME277425
92824
-
1.05
133.0141
METHYLMALONATE
Methylmalonic acid
ME277426
487
-
2.63
117.0191
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME277428
65065
-
1.55
174.0405
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME277427
-
-
0.83
220.0823
N-ACETYLSEROTONIN
N-Acetylserotonin
ME277429
903
-
8.07
218.1017
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME277436
439377
-
0.85
160.0613
L-Phenylalanine-13C6
Phenylalanine
ME277422
71309396
-
6.09
170.0916
Propionic Acid-13C3
Propionic acid
ME277437
9877334
-
2.19
76.0388
3,4-DIHYDROXYBENZOATE
Protocatechuic acid
ME277390
72
-
6.79
153.0194
Salicylic Acid-D4
Salicylic acid
ME277438
46782907
-
9.87
141.0495
SUCCINIC ACID-13C4
Succinic acid
ME277440
16213533
-
2.17
121.0322
Sulfoacetaldehyde
Sulfoacetaldehyde
ME277441
160226
-
0.78
122.9756
Taurocholic acid (TCA)
Taurocholic acid
ME277442
-
-
9.89
514.2829
THREONINE/HOMOSERINE
Threonine/Homoserine
ME277443
-
-
0.73
118.0508
N-BOC-L-Tryptophan_R1
Tryptophan
ME277434
-
-
-
229.0615
N-BOC-L-Tryptophan_R2
Tryptophan
ME277435
-
-
-
303.1348
Tryptophan
Tryptophan
ME277444
6305
-
7.60
203.0824
BOC-L-Tyrosine_R1
Tyrosine
ME277398
-
-
-
206.0456
BOC-L-Tyrosine_R2
Tyrosine
ME277399
-
-
-
280.1186
L-TYROSINE
Tyrosine
ME277423
6057
-
3.27
180.0664
L-Tyrosine-13C6
Tyrosine
ME277424
12144755
-
3.27
186.0864
URATE
Uric acid
ME277445
1175
-
1.80
167.0208
ASCORBIC ACID
Vitamin C
ME277396
54670067
-
0.92
175.0241
ASCORBIC ACID-2H
Vitamin C
ME277397
54670067
-
0.89
173.0089
XANTHINE
Xanthine
ME277446
1188
-
2.42
151.0258
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME277405
-
-
0.91
193.0351
N-BOC-L-tert-Leucine_R1
-
ME277432
-
-
10.82
156.0665
N-BOC-L-tert-Leucine_R2
-
ME277433
-
-
10.82
230.1394
SARCOSINE/BETA-ALANINE
-
ME277439
-
-
0.87
88.0399
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