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Return to study ST001669 main page
Analysis: UPLC UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Acetoacetic acid
Acetoacetic acid
ME390064
96
C00164
9.82
101
Isovaleric acid
Isovaleric acid
ME390140
10430
C08262
6.368
101.1
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME390047
440864
C05984
4.325
103
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME390052
92135
C01089
3.575
103
alpha-Hydroxyisobutyric acid
2-Hydroxyisobutyric acid
ME390070
11671
-
3.91
103
Malonic acid
Malonic acid
ME390173
867
C00383
5.942
103
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME390144
64956
C05145
2.25
104.1
Dimethylglycine
Dimethylglycine
ME390102
673
C01026
1.679
104.1
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME390112
119
C00334
1.767
104.1
Glyceric acid
Glyceric acid
ME390119
439194
C00258
2.359
105
Serine
Serine
ME390162
5951
C00065
1.433
106
Maleic acid
Maleic acid
ME390172
444266
C01384
6.513
115
Caproic acid
Caproic acid
ME390082
8892
C01585
7.764
115.1
Isocaproic acid
Isocaproic acid
ME390138
12587
-
7.592
115.1
Acetylglycine
N-Acetylglycine
ME390065
10972
-
2.849
116
Guanidoacetic acid
Guanidoacetic acid
ME390128
763
C00581
1.656
116.1
Proline
Proline
ME390161
145742
C00148
2.387
116.1
Valine
Valine
ME390166
6287
C00183
3.284
116.1
Alpha-ketoisovaleric acid
Ketoisovaleric acid
ME390071
49
C00141
9.35
117
Fumaric acid
Fumaric acid
ME390110
444972
C00122
6.666
117
Succinic acid
Succinic acid
ME390230
1738118
C00042
5.994
117
2-Hydroxy-2-methylbutyric acid
2-Hydroxy-2-methyl-butyric acid
ME390045
95433
-
4.07
117.1
3-Hydroxyisovaleric acid
3-Hydroxyisovaleric acid
ME390053
69362
-
4.293
117.1
Norvaline
Norvaline
ME390193
439575
C01799
3.58
118.1
Methylmalonic acid
Methylmalonic acid
ME390179
487
C02170
5.997
119
2-Hydroxy-3-methylbutyric acid
2-Hydroxy-3-methylbutyric acid
ME390046
99823
-
5.338
119.1
Homoserine
Homoserine
ME390153
12647
C00263
1.56
120.1
threonine
Threonine
ME390163
6288
C00188
1.822
120.1
Benzamide
Benzamide
ME390077
2331
C09815
10.65
122.1
Benzoic acid
Benzoic acid
ME390079
243
C00180
6.349
123
Picolinic acid
Picolinic acid
ME390214
1018
C10164
5.753
124
Pyroglutamic acid
Pyroglutamic acid
ME390219
7405
C01879
3.286
128
Pipecolic acid
Pipecolic acid
ME390160
439227
C00408
2.74
128.1
Glutaconic acid
Glutaconic acid
ME390116
5280498
C02214
3.776
129
5-Aminolevulinic acid
5-Amino-levulinic acid
ME390059
137
C00430
3.375
130.1
Leucine
Leucine
ME390155
6106
C00123
4.328
130.1
Methylsuccinic acid
Methylsuccinic acid
ME390181
6950476
-
6.342
131
3-Methy2-oxovaleric acid
(S)-3-Methyl-2-oxopentanoic acid
ME390055
47
C00671
9.915
131.1
Ketoleucine
Ketoleucine
ME390142
70
C00233
10.014
131.1
Creatine
Creatine
ME390091
586
C00300
1.97
132.1
Glutaric acid
Glutaric acid
ME390117
743
C00489
6.329
133
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME390048
99824
-
6.546
133.1
Asparagine
Asparagine
ME390146
6267
C00152
3.409
133.1
Ornithine
Ornithine
ME390198
6262
C00077
0.791
133.1
Aspartic acid
Aspartic acid
ME390147
5960
C00049
4.659
134
Erythronic acid
Erythronic acid
ME390108
2781043
-
2.05
135
Malic acid
Malic acid
ME390157
222656
C00149
5.693
135
N-Methylnicotinamide
N-Methylnicotinamide
ME390190
64950
-
6.774
135.1
Methylcysteine
Methylcysteine
ME390177
24417
-
3.169
136
Threonic acid
Threonic acid
ME390236
5460407
C01620
2.049
137
Phenylacetic acid
Phenylacetic acid
ME390209
999
C07086
6.774
137.1
Caprylic acid
Caprylic acid
ME390194
379
C06423
9.883
143.1
Oxoglutaric acid
2-Oxoglutaric acid
ME390202
51
C00026
9.469
145
Adipic acid
Adipic acid
ME390067
196
C06104
6.504
145.1
Methylglutaric acid
Methylglutaric acid
ME390178
12284
-
6.737
145.1
N-Acetylserine
N-Acetylserine
ME390189
65249
-
2.659
146.1
Citramalic acid
Citramalic acid
ME390088
1081
C00815
5.96
147
Glutamine
Glutamine
ME390150
5961
C00064
1.524
147.1
Lysine
Lysine
ME390156
5962
C00047
0.823
147.1
Glutamic acid
Glutamic acid
ME390149
33032
C00025
3.284
148.1
D-2-Hydroxyglutaric acid
D-2-Hydroxyglutaric acid
ME390092
439391
C02630
5.959
149
Tartaric acid
Tartaric acid
ME390231
444305
C00898
5.188
149
Cinnamic acid
trans-Cinnamic acid
ME390086
5372954
C10438
7.7
149.1
Xylose
Xylose
ME390097
135191
C00181
3.902
149.1
Xylulose
Xylulose
ME390098
12358757
C00310
4.186
149.1
Methionine
Methionine
ME390158
6137
C00073
3.646
150.1
Mandelic acid
Mandelic acid
ME390175
439616
C01984
5.833
151
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME390203
127
C00642
4.947
151
2-Phenylpropionate
2-Phenylpropanoate
ME390049
10296
-
7.583
151.1
Hydrocinnamic acid
Hydrocinnamic acid
ME390133
107
C05629
7.585
151.1
Ortho-Hydroxyphenylacetic acid
-
ME390199
11970
C05852
5.819
153
Protocatechuic acid
Protocatechuic acid
ME390218
72
C00230
4.655
155
Histidine
Histidine
ME390151
6274
C00135
0.819
156.1
Pelargonic acid
Pelargonic acid
ME390192
8158
C01601
10.555
157.1
Oxoadipic acid
Oxoadipic acid
ME390201
71
C00322
9.768
159
3-Methyladipic acid
3-Methyladipic acid
ME390056
6999745
-
7.002
159.1
Pimelic acid
Pimelic acid
ME390215
385
C02656
6.852
159.1
Aminoadipic acid
Aminoadipic acid
ME390074
92136
C00956
4.973
162.1
Carnitine
Carnitine
ME390083
10917
C00318
1.688
162.1
Rhamnose
Rhamnose
ME390221
25310
C00507
4.259
163.1
Methionine sulfoxide
Methionine sulfoxide
ME390176
158980
C02989
1.71
164
Phenylpyruvic acid
Phenylpyruvic acid
ME390211
997
C00166
10.03
165
Phthalic acid
Phthalic acid
ME390213
1017
C01606
6.676
165
Benzenebutanoic acid
-
ME390078
4775
-
8.415
165.1
Phenyllactic acid
Phenyllactic acid
ME390210
3848
-
6.703
165.1
Phenylalanine
Phenylalanine
ME390159
6140
C00079
4.75
166.1
Capric acid
Capric acid
ME390099
2969
C01571
11.019
171.1
cis-Aconitic acid
cis-Aconitic acid
ME390087
643757
C00417
6.14
173
Glycylproline
Gly-Pro
ME390127
3013625
-
2.702
173.1
Shikimic acid
Shikimic acid
ME390226
8742
C00493
2.774
173.1
Suberic acid
Suberic acid
ME390229
10457
C08278
7.272
173.1
trans-Aconitic acid
trans-Aconitic acid
ME390237
444212
C02341
6.235
175
Arginine
Arginine
ME390145
6322
C00062
0.849
175.1
N-Acetyaspartic acid
N-Acetylaspartic acid
ME390186
65065
C01042
5.623
176
Citrulline
Citrulline
ME390090
9750
C00327
1.723
176.1
Indoleacetic acid
Indoleacetic acid
ME390137
802
C00954
6.725
176.1
Gluconolactone
Gluconolactone
ME390094
7027
C00198
1.886
177
Fructose
Fructose
ME390093
439709
C02336
3.829
179.1
Glucose
Glucose
ME390095
64689
C00221
3.37
179.1
Hippuric acid
Hippuric acid
ME390131
464
C01586
5.664
180.1
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME390058
979
C01179
8.689
181
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
ME390051
102959
-
4.65
181.1
Homovanillic acid
Homovanillic acid
ME390132
1738
C05582
4.685
181.1
Tyrosine
Tyrosine
ME390165
6057
C00082
3.358
182.1
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME390134
9378
C03672
4.683
183.1
Undecylenic acid
10-Hendecenoic acid
ME390241
5634
C13910
10.932
183.1
Undecanoic acid
Undecylic acid
ME390240
8180
C17715
11.4
185.2
N-Acetylglutamine
N-Acetylglutamine
ME390187
182230
-
2.792
187.1
Azelaic acid
Azelaic acid
ME390076
2266
C08261
7.773
189.1
Homocitrulline
Homocitrulline
ME390152
65072
C02427
2.272
190.1
Indole-3-propionic acid
3-Indolepropionic acid
ME390054
3744
-
7.264
190.1
Citric acid
Citric acid
ME390089
311
C00158
7.579
191
Isocitric acid
Isocitric acid
ME390139
1198
C00311
7.274
191
Galactonic acid
Galactonic acid
ME390111
128869
C00880
1.749
195.1
Selenomethionine
Selenomethionine
ME390225
105024
C05335
6.6
196
5Z-Dodecenoic acid
5-Dodecenoic acid
ME390060
5312378
-
11.302
197.2
Dodecanoic acid
Lauric acid
ME390106
3893
C02679
11.725
199.2
Sebacic acid
Sebacic acid
ME390224
5192
C08277
8.336
203.1
Acetylcarnitine
CAR 2:0
ME390167
7045767
C02571
2.828
204.1
Tryptophan
Tryptophan
ME390164
6305
C00078
4.93
205.1
Glucaric acid
Glucaric acid
ME390115
33037
C00818
5.004
211
Tridecanoic acid
Tridecylic acid
ME390239
12530
C17076
12.034
213.2
Propionylcarnitine
CAR 3:0
ME390217
188824
C03017
3.679
218.1
5-Hydroxy-tryptophan
5-Hydroxy-tryptophan
ME390061
439280
C00643
3.571
221.1
9E-tetradecenoic acid
-
ME390182
5312402
-
11.867
225.2
Myristoleic acid
Myristoleic acid
ME390184
5281119
C08322
11.867
225.2
Myristic acid
Myristic acid
ME390183
11005
C06424
12.349
227.2
Cystine
Cystine
ME390148
67678
C00491
2.391
241
Pentadecanoic acid
Pentadecylic acid
ME390208
13849
C16537
12.669
241.2
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME390050
6426901
-
5.165
246.2
Isovalerylcarnitine
CAR 4:0;3Me
ME390141
6426851
-
5.325
246.2
Malonylcarnitine
CAR DC3:0
ME390174
91825606
-
4.978
248.1
Palmitelaidic acid
Palmitelaidic acid
ME390204
5282745
-
12.543
253.2
Palmitoleic acid
Palmitoleic acid
ME390206
445638
C08362
12.451
253.2
Palmitic acid
Palmitic acid
ME390205
985
C00249
12.98
255.2
Hexanoylcarnitine
CAR 6:0
ME390130
3246938
-
6.301
260.2
Methylmalonylcarnitine
CAR DC3:0;2Me
ME390180
-
-
5.36
262.1
3-Hydroxylisovalerylcarnitine
-
ME390057
53915061
-
3.724
262.2
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME390073
92258
C04148
8.802
265.1
10Z-Heptadecenoic acid
10Z-Heptadecenoic acid
ME390043
5312435
-
12.737
267.2
Heptadecanoic acid
Margaric acid
ME390129
10465
-
13.29
269.3
Glutarylcarnitine
CAR DC5:0
ME390118
53481699
-
5.229
276.1
Alpha-Linolenic acid
alpha-Linolenic acid
ME390072
5280934
C06427
12.197
277.2
Gamma-Linolenic acid
gamma-Linolenic acid
ME390113
5280933
C06426
12.284
277.2
Linoelaidic acid
Linoelaidic acid
ME390169
5282457
-
12.729
279.2
Linoleic acid
Linoleic acid
ME390170
5280450
C01595
12.589
279.2
Oleic acid
Oleic acid
ME390196
445639
C00712
13.054
281.3
Stearic acid
Stearic acid
ME390227
5281
C01530
13.599
283.3
Octanoylcarnitine
CAR 8:0
ME390195
11953814
C02838
8.01
288.2
Adipoylcarnitine
CAR DC5:0
ME390068
91826562
-
5.395
290.2
10Z-Nonadecenoic acid
Nonadeca-10Z-enoic acid
ME390191
5312513
C00174
13.323
295.3
Ricinoleic acid
Ricinoleic acid
ME390222
5282942
C08365
11.49
297.3
12-hydroxystearic acid
12-Hydroxy stearic acid
ME390044
7789
-
11.762
299.3
Eicosapentaenoic acid EPA
EPA
ME390107
446284
C06428
12.2
301.2
Arachidonic acid
Arachidonic acid
ME390075
444899
C00219
12.511
303.2
Dihomo-gamma-linolenic acid
Dihomo-gamma-linolenic acid
ME390062
5280581
C03242
12.729
305.3
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME390188
445063
C00270
2.237
308.1
Decanoylcarnitine
CAR 10:0
ME390100
10245190
-
9.53
316.2
Docosahexaenoic acid DHA
DHA
ME390103
445580
C06429
12.381
327.2
Docosapentaenoic acid (22n-3)
DPA
ME390105
5497182
C16513
12.6
329.3
Docosapentaenoic acid (22n-6)
Docosapentaenoic acid (22n-6)
ME390104
6441454
-
12.748
329.3
Adrenic acid
Adrenic acid
ME390069
5497181
C16527
12.921
331.3
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME390109
10267
C05378
7.677
339
D-Maltose and Alpha-Lactose
-
ME390096
-
C00208/C00243
3.286
341.1
Trehalose
Trehalose
ME390238
7427
C01083
10.626
341.1
Dodecanoylcarnitine
CAR 12:0
ME390168
168381
-
10.655
344.3
Adenosine monophosphate
AMP
ME390066
6083
C00020
2.33
348.1
Tetradecanoylcarnitine
CAR 14:0
ME390185
53477791
-
11.22
372.3
Phosphoribosyl pyrophosphate
Phosphoribosyl pyrophosphate
ME390212
7339
C00119
7.43
389
Chenodeoxycholic acid
Chenodeoxycholic acid
ME390084
10133
C02528
10.969
391.3
Deoxycholic acid
Deoxycholic acid
ME390101
222528
C04483
11.143
391.3
Hyodeoxycholic acid
Hyodeoxycholic acid
ME390136
9963687
-
10.2
391.3
Palmitoylcarnitine
CAR 16:0
ME390207
11953816
C02990
11.66
400.3
Cholic acid
Cholic acid
ME390085
221493
C00695
10.291
407.3
Linoleyl carnitine
CAR 18:2
ME390171
6450015
-
11.44
424.3
Oleylcarnitine
CAR 18:1
ME390197
46907933
-
11.76
426.4
Stearylcarnitine
CAR 18:0
ME390228
52922056
-
11.71
428.4
Chenodeoxycholic acid glycine conjugate
Glycochenodeoxycholic acid
ME390121
12544
C05466
10.626
448.3
Deoxycholic acid glycine conjugate
Glycodeoxycholic acid
ME390123
22833539
C05464
10.854
448.3
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME390126
12310288
-
9.453
448.3
Glycocholic acid
Glycocholic acid
ME390122
10140
C01921
9.825
464.3
Glycohyocholic acid
Glycohyocholic acid
ME390124
71361462
-
9.149
464.6
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME390232
387316
C05465
8.8
498.3
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME390235
12443252
-
7.28
498.3
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME390234
119046
-
7.38
498.7
Sulfolithocholylglycine
Sulfoglycolithocholic acid
ME390114
72222
C11301
10.62
512.3
Taurocholic acid
Taurocholic acid
ME390233
6675
C05122
7.61
514.3
Acetic acid
Acetic acid
ME390063
176
C00033
3.476
59
Propionic acid
Propionic acid
ME390216
1032
C00163
4.398
73
Glycolic acid
Glycolic acid
ME390125
757
C00160
2.715
75
Glycine
Glycine
ME390120
750
C00037
1.41
76
Pyruvic acid
Pyruvic acid
ME390220
1060
C00022
8.368
87
Butyric acid
Butyric acid
ME390081
264
C00246
5.436
87.1
Lactic acid
Lactic acid
ME390154
107689
C00186
3.361
89
Oxalic acid
Oxalic acid
ME390200
971
C00209
6.445
89
Alanine
Alanine
ME390143
5950
C00041
1.701
90
Beta-Alanine
beta-Alanine
ME390080
239
C00099
1.648
90
Sarcosine
Sarcosine
ME390223
1088
C00213
1.555
90
Hydroxypropionic acid
Hydroxypropionic acid
ME390135
68152
C01013
2.933
91
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