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Return to study ST000571 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
ME169148
119
-
0.84
104.0707
Choline
Choline
ME169169
305
-
0.84
104.1069
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME169240
1128
-
2.19
105.0368
DIETHANOLAMINE
Diethanolamine
ME169177
8113
-
0.74
106.0862
Isocytosine_R1
2-Amino-4-hydroxypyrimidine
ME169195
66950
-
1.52
112.0506
Isocytosine_R2
2-Amino-4-hydroxypyrimidine
ME169196
66950
-
1.90
112.0506
URACIL
Uracil
ME169246
1174
-
1.31
113.0347
CREATININE
Creatinine
ME169173
588
-
0.91
114.0664
GLYCEROL
Glycerol
ME169186
753
-
0.76
115.0384
5,6-DIHYDROURACIL
Dihydrouracil
ME169151
649
-
1.23
115.0504
L-PROLINE
Proline
ME169209
145742
-
0.83
116.0707
GUANIDINOACETATE
Guanidoacetic acid
ME169188
763
-
0.77
118.0614
BETAINE
Betaine
ME169164
247
-
0.80
118.0863
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME169212
-
-
0.98
118.0863
Anthranilate
2-Aminobenzoic acid
ME169161
227
-
8.35
120.0444
ANTHRANILATE-Water
-
ME169162
-
-
7.74
120.0444
THREONINE/HOMOSERINE
Threonine/Homoserine
ME169241
-
-
0.74
120.0656
PHENETHYLAMINE
Phenylethylamine
ME169231
1001
-
6.91
122.0963
NICOTINAMIDE
Niacinamide
ME169225
936
-
1.53
123.0553
TAURINE
Taurine
ME169239
1123
-
0.71
126.0218
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME169153
237332
-
0.83
127.0388
Sulcatol
(R)-Sulcatol
ME169238
20745
-
8.98
129.1274
5-OXO-L-PROLINE
Pyroglutamic acid
ME169154
7405
-
1.72
130.0501
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME169233
439227
-
1.11
130.0862
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME169218
122356
-
1.10
131.1180
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME169152
137
-
0.77
132.0661
CREATINE
Creatine
ME169171
586
-
0.89
132.0767
LEUCINE_R1
Leucine
ME169201
857
-
2.51
132.1019
LEUCINE_R2
Leucine
ME169202
857
-
2.24
132.1019
N-BOC-L-tert-Leucine
-
ME169221
2734668
-
10.87
132.1019
3-UREIDOPROPIONATE
Ureidopropionic acid
ME169146
111
-
1.15
133.0607
ASPARTATE
Aspartic acid
ME169163
5960
-
0.72
134.0449
N-BOC-L-Aspartic Acid
Aspartic acid
ME169220
99718
-
-
134.0449
Creatine-D3
Creatine
ME169172
-
-
0.88
135.0954
ADENINE
Adenine
ME169156
190
-
1.40
136.0618
Allopurinol
Allopurinol
ME169159
2094
-
6.07
137.0458
HYPOXANTHINE
Hypoxanthine
ME169193
790
-
1.92
137.0458
L-Leucine 13C6
Leucine
ME169205
-
-
2.52
138.1219
UROCANATE
Urocanic acid
ME169249
736715
-
1.95
139.0504
SUCCINATE
Succinic acid
ME169237
1110
-
2.20
141.0144
L-Leucine-D10
Leucine
ME169206
16213587
-
2.48
142.1647
Stachydrine
Stachydrine
ME169236
115244
-
1.24
144.1017
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME169149
500
-
1.56
146.0925
DEOXYCARNITINE
3-Dehydroxycarnitine
ME169175
725
-
1.23
146.1176
L-GLUTAMINE
Glutamine
ME169203
5961
-
0.71
147.0763
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME169226
22880
-
0.75
148.0604
TRANS-CINNAMATE
trans-Cinnamic acid
ME169242
444539
-
9.76
149.0596
L-METHIONINE
Methionine
ME169207
6137
-
1.62
150.0578
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME169143
11897
-
8.53
151.0753
GUANINE
Guanine
ME169189
764
-
1.46
152.0561
2',4'-DIHYDROXYACETOPHENONE
2',4'-Dihydroxyacetophenone
ME169140
6990
-
9.01
153.0548
3-AMINO-4-HYDROXYBENZOIC ACID
3-Amino-4-hydroxybenzoic acid
ME169145
65083
-
1.81
154.0491
(R)-MALATE
D-Malic acid
ME169139
92824
-
0.98
157.0118
Dipropylene glycol
-
ME169179
6510
-
6.55
157.0837
ALLANTOIN
Allantoin
ME169158
204
-
0.79
159.0513
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME169160
-
-
0.89
162.0760
L-CARNITINE
Carnitine
ME169199
10917
-
0.94
162.1126
Methionine Sulfoxide
Methionine sulfoxide
ME169213
847
-
0.76
166.0532
BOC-D-Phenylalanine
-
ME169166
637610
-
11.41
166.0862
Phenylalanine
Phenylalanine
ME169232
6140
-
6.26
166.0862
PYRIDINE-2,3-DICARBOXYLATE
Quinolinic acid
ME169235
1066
-
1.66
168.0278
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME169147
18189
-
3.35
168.0635
URATE
Uric acid
ME169247
1175
-
1.73
169.0358
NORADRENALINE
Xi-Norepinephrine
ME169227
439260
-
1.27
170.0797
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME169215
64969
-
0.71
170.0922
Diphenylamine
Diphenylamine
ME169178
11487
-
13.67
170.0963
L-Phenylalanine 13C6
Phenylalanine
ME169208
-
-
6.26
172.1061
D-Ribose_R1
Ribose
ME169181
10975657
-
0.77
173.0415
D-Ribose_R2
Ribose
ME169182
10975657
-
0.88
173.0420
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME169217
65065
-
1.43
176.0555
Hippuric Acid
Hippuric acid
ME169191
464
-
7.91
180.0666
GLUCOSAMINE/MANNOSAMINE
-
ME169184
-
-
0.74
180.0862
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME169141
6950574
-
3.33
182.0809
BOC-L-Tyrosine
Tyrosine
ME169167
117439
-
-
182.0809
Triethyl phosphate
Triethyl phosphate
ME169243
6535
-
9.33
183.0778
L-Tyrosine 13C6
Tyrosine
ME169211
-
-
3.33
188.1011
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME169219
92907
-
1.21
189.1232
Kynurenic Acid
Kynurenic acid
ME169198
3845
-
7.75
190.0495
4-QUINOLINECARBOXYLIC ACID
4-Quinolinecarboxylic acid
ME169150
10243
-
3.63
196.0388
Hydroxyhippuric acid
Hydroxyhippuric acid
ME169192
10253
-
7.92
196.0394
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME169142
6047
-
2.56
198.0741
Caffeine-D3
Caffeine
ME169168
13001298
-
7.89
198.1059
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME169216
92180
-
7.82
204.1229
6C-SUGAR ALCOHOL
-
ME169155
-
-
0.71
205.0681
N-BOC-L-Tryptophan_R1
Tryptophan
ME169222
-
-
-
205.0973
Tryptophan
Tryptophan
ME169244
6305
-
7.65
205.0974
Tryptophan-2,3,3-D3
Tryptophan
ME169245
-
-
7.65
208.1155
L-KYNURENINE
Kynurenine
ME169204
161166
-
6.50
209.0917
N-Butylbenzenesulfonamide
-
ME169224
19241
-
11.88
214.0896
CITRATE
Citric acid
ME169170
311
-
1.80
215.0162
L-Tryptophan 13C11
Tryptophan
ME169210
-
-
7.65
216.1340
Proprionylcarnitine
CAR DC3:0
ME169234
107738
-
6.77
218.1385
3,5-Di-tert-butylbenzaldehyde
-
ME169144
6440942
-
14.28
219.1742
Pantothenic Acid
Pantothenic acid
ME169229
6613
-
6.61
220.1175
Monobutyl phthalate
Monobutylphthalate
ME169214
8575
-
12.40
223.0963
Leu Pro
Leu-Pro
ME169200
-
-
7.33
229.1548
Isobutyrylcarnitine
CAR 3:0;2Me
ME169194
10177002
-
7.42
232.1536
CYTIDINE
Cytidine
ME169174
6175
-
1.52
244.0930
Isovalerylcarnitine
CAR 4:0;3Me
ME169197
169235
-
8.11
246.1697
PEG n5
Pentaethylene glycol
ME169230
62551
-
7.06
261.1300
URIDINE
Uridine
ME169248
6029
-
2.67
267.0585
ADENOSINE
Adenosine
ME169157
60961
-
5.57
268.1038
Galaxolidone
Galaxolidone
ME169183
69131857
-
14.52
273.1848
Dibutyl phthalate
Dibutyl phthalate
ME169176
3026
-
14.66
279.1592
Glutathione Disulfide
Oxidized glutathione
ME169185
65359
-
3.80
307.0822
N-BOC-L-Tryptophan_R2
Tryptophan
ME169223
-
-
-
327.1306
Dipropyleneglycol dibenzoate
-
ME169180
89272
-
14.58
343.1544
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME169190
-
-
0.83
365.1046
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME169165
8343
-
16.57
391.2847
GLYCINE
Glycine
ME169187
750
-
0.72
76.0393
Orthophosphate
Phosphoric acid
ME169228
1061
-
0.71
98.9843
Analysis: UHPLC 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
ME169270
11671
-
2.09
103.0398
GLYCERIC ACID
Glyceric acid
ME169286
439194
-
0.82
105.0192
URACIL
Uracil
ME169323
1174
-
1.32
111.0198
N-ACETYLGLYCINE
N-Acetylglycine
ME169303
10972
-
1.16
116.0353
SUCCINATE
Succinic acid
ME169319
1110
-
2.21
117.0191
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME169261
126
-
8.05
121.0296
SUCCINIC ACID-13C4
Succinic acid
ME169320
16213533
-
2.21
121.0330
TAURINE
Taurine
ME169321
1123
-
0.71
124.0071
4-oxoproline
4-Oxo-proline
ME169264
107541
-
1.74
128.0352
CREATINE
Creatine
ME169277
586
-
0.89
130.0623
ETHYLMALONIC ACID
Ethylmalonic acid
ME169281
11756
-
6.01
131.0349
6-Hydroxycaproic acid_R1
6-Hydroxycaproic acid
ME169265
14490
-
7.58
131.0713
6-Hydroxycaproic acid_R2
6-Hydroxycaproic acid
ME169266
14490
-
7.87
131.0713
ASPARTATE
Aspartic acid
ME169271
83887
-
0.72
132.0300
MALATE_R1
Malic acid
ME169298
92824
-
1.04
133.0140
MALATE_R2
Malic acid
ME169299
92824
-
1.19
133.0140
ADENINE
Adenine
ME169267
190
-
1.42
134.0472
HYPOXANTHINE
Hypoxanthine
ME169288
790
-
1.95
135.0308
UROCANATE
Urocanic acid
ME169326
736715
-
2.00
137.0357
Salicylic Acid-D4
Salicylic acid
ME169317
46782907
-
9.94
141.0497
4-ACETAMIDOBUTANOATE_R1
4-Acetamidobutanoic acid
ME169259
18189
-
3.79
144.0666
4-ACETAMIDOBUTANOATE_R2
4-Acetamidobutanoic acid
ME169260
18189
-
3.52
144.0666
L-GLUTAMINE
Glutamine
ME169293
5961
-
0.72
145.0616
L-GLUTAMIC ACID
Glutamic acid
ME169292
33032
-
0.76
146.0459
N-ACETYL-DL-SERINE
N-Acetylserine
ME169302
352294
-
1.14
146.0459
CITRAMALATE
Citramalic acid
ME169274
1081
-
2.17
147.0301
ALDOPENTOSE
Aldopentose
ME169268
-
-
0.83
149.0456
XANTHINE
Xanthine
ME169328
1188
-
2.39
151.0259
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME169251
11914
-
7.60
151.0400
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME169263
127
-
8.18
151.0400
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME169257
1549098
-
0.80
152.0023
OROTIC ACID
Orotic acid
ME169314
967
-
1.14
155.0099
N-BOC-L-tert-Leucine_R1
-
ME169309
-
-
10.87
156.0663
ALLANTOIN
Allantoin
ME169269
204
-
0.80
157.0368
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME169308
-
-
-
158.0092
3-methyladipic acid
3-Methyladipic acid
ME169256
12292
-
7.85
159.0665
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME169313
439377
-
0.89
160.0616
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME169255
1662
-
2.90
161.0457
3-(2-HYDROXYPHENYL)PROPANOATE_R1
3-(2-Hydroxyphenyl)propanoic acid
ME169252
873
-
8.80
165.0558
3-(2-HYDROXYPHENYL)PROPANOATE_R2
3-(2-Hydroxyphenyl)propanoic acid
ME169253
873
-
8.60
165.0558
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME169316
1005
-
0.78
166.9747
URATE
Uric acid
ME169324
1175
-
1.76
167.0211
L-Phenylalanine-13C6
Phenylalanine
ME169294
71309396
-
6.27
170.0918
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME169305
70912
-
7.58
172.0977
4-Hydroxybenzenesulfonic Acid
4-Hydroxybenzenesulfonic acid
ME169262
4765
-
6.92
172.9914
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME169304
65065
-
1.38
174.0410
L-TYROSINE
Tyrosine
ME169296
6057
-
3.36
180.0665
HOMOVANILLATE
Homovanillic acid
ME169287
1738
-
7.47
181.0504
L-Tyrosine-13C6
Tyrosine
ME169297
12144755
-
3.36
186.0870
P-Cresol Sulfate
p-Cresol sulfate
ME169315
4615423
-
8.40
187.0066
Kynurenic Acid
Kynurenic acid
ME169291
3845
-
7.66
188.0353
3,4-Dihydroxybenzenesulfonic Acid
3,4-Dihydroxybenzenesulfonic acid
ME169254
189003
-
6.40
188.9864
CITRATE
Citric acid
ME169275
311
-
1.82
191.0201
ISOCITRIC ACID_R1
Isocitric acid
ME169289
1198
-
1.07
191.0201
ISOCITRIC ACID_R2
Isocitric acid
ME169290
1198
-
0.95
191.0201
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME169278
-
-
0.79
193.0356
2-Hydroxyhippuric acid
Salicyluric acid
ME169250
10253
-
7.36
194.0457
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME169282
-
-
0.72
195.0509
CITRIC ACID-13C6
Citric acid
ME169276
16217547
-
1.82
197.0393
3-tert-Butyladipic acid
Sebacic acid
ME169258
5192
-
9.85
201.1136
BOC-L-Tyrosine_R1
Tyrosine
ME169272
-
-
-
206.0461
Tryptophan-2,3,3-D3
Tryptophan
ME169322
-
-
7.65
206.1009
D-SACCHARIC ACID
Glucaric acid
ME169280
33037
-
0.73
209.0305
L-Tryptophan-13C11
Tryptophan
ME169295
-
-
7.65
214.1193
GLUCOSE/FRUCTOSE_R1
Hexose
ME169283
-
C00293;C01496
0.71
215.0331
GLUCOSE/FRUCTOSE_R2
Hexose
ME169284
5793
-
0.71
217.0296
Monobutyl phthalate
Monobutylphthalate
ME169300
8575
-
11.40
221.0825
Vanilloylglycine
Vanilloylglycine
ME169327
3083688
-
7.67
224.0569
N-BOC-L-Tryptophan_R1
Tryptophan
ME169311
-
-
-
229.0617
N-BOC-L-tert-Leucine_R2
-
ME169310
-
-
10.87
230.1391
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME169307
-
-
-
232.0827
URIDINE
Uridine
ME169325
6029
-
2.72
243.0616
BOC-L-Tyrosine_R2
Tyrosine
ME169273
-
-
-
280.1181
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME169301
5255
-
2.85
303.0837
N-BOC-L-Tryptophan_R2
Tryptophan
ME169312
-
-
-
303.1345
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME169306
439197
-
0.79
308.0983
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME169279
-
-
0.83
377.0865
SARCOSINE/BETA-ALANINE
-
ME169318
-
-
0.90
88.0400
GLYCERALDEHYDE/LACTATE
-
ME169285
-
-
1.19
89.0236
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