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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
Ornithine
Ornithine
ME390198
6262
C00077
0.791
133.1
Histidine
Histidine
ME390151
6274
C00135
0.819
156.1
Lysine
Lysine
ME390156
5962
C00047
0.823
147.1
Arginine
Arginine
ME390145
6322
C00062
0.849
175.1
Ketoleucine
Ketoleucine
ME390142
70
C00233
10.014
131.1
Phenylpyruvic acid
Phenylpyruvic acid
ME390211
997
C00166
10.03
165
Hyodeoxycholic acid
Hyodeoxycholic acid
ME390136
9963687
-
10.2
391.3
Cholic acid
Cholic acid
ME390085
221493
C00695
10.291
407.3
Pelargonic acid
Pelargonic acid
ME390192
8158
C01601
10.555
157.1
Sulfolithocholylglycine
Sulfoglycolithocholic acid
ME390114
72222
C11301
10.62
512.3
Chenodeoxycholic acid glycine conjugate
Glycochenodeoxycholic acid
ME390121
12544
C05466
10.626
448.3
Trehalose
Trehalose
ME390238
7427
C01083
10.626
341.1
Benzamide
Benzamide
ME390077
2331
C09815
10.65
122.1
Dodecanoylcarnitine
CAR 12:0
ME390168
168381
-
10.655
344.3
Deoxycholic acid glycine conjugate
Glycodeoxycholic acid
ME390123
22833539
C05464
10.854
448.3
Undecylenic acid
10-Hendecenoic acid
ME390241
5634
C13910
10.932
183.1
Chenodeoxycholic acid
Chenodeoxycholic acid
ME390084
10133
C02528
10.969
391.3
Capric acid
Capric acid
ME390099
2969
C01571
11.019
171.1
Deoxycholic acid
Deoxycholic acid
ME390101
222528
C04483
11.143
391.3
Tetradecanoylcarnitine
CAR 14:0
ME390185
53477791
-
11.22
372.3
5Z-Dodecenoic acid
5-Dodecenoic acid
ME390060
5312378
-
11.302
197.2
Undecanoic acid
Undecylic acid
ME390240
8180
C17715
11.4
185.2
Linoleyl carnitine
CAR 18:2
ME390171
6450015
-
11.44
424.3
Ricinoleic acid
Ricinoleic acid
ME390222
5282942
C08365
11.49
297.3
Palmitoylcarnitine
CAR 16:0
ME390207
11953816
C02990
11.66
400.3
Stearylcarnitine
CAR 18:0
ME390228
52922056
-
11.71
428.4
Dodecanoic acid
Lauric acid
ME390106
3893
C02679
11.725
199.2
Oleylcarnitine
CAR 18:1
ME390197
46907933
-
11.76
426.4
12-hydroxystearic acid
12-Hydroxy stearic acid
ME390044
7789
-
11.762
299.3
9E-tetradecenoic acid
-
ME390182
5312402
-
11.867
225.2
Myristoleic acid
Myristoleic acid
ME390184
5281119
C08322
11.867
225.2
Tridecanoic acid
Tridecylic acid
ME390239
12530
C17076
12.034
213.2
Alpha-Linolenic acid
alpha-Linolenic acid
ME390072
5280934
C06427
12.197
277.2
Eicosapentaenoic acid EPA
EPA
ME390107
446284
C06428
12.2
301.2
Gamma-Linolenic acid
gamma-Linolenic acid
ME390113
5280933
C06426
12.284
277.2
Myristic acid
Myristic acid
ME390183
11005
C06424
12.349
227.2
Docosahexaenoic acid DHA
DHA
ME390103
445580
C06429
12.381
327.2
Palmitoleic acid
Palmitoleic acid
ME390206
445638
C08362
12.451
253.2
Arachidonic acid
Arachidonic acid
ME390075
444899
C00219
12.511
303.2
Palmitelaidic acid
Palmitelaidic acid
ME390204
5282745
-
12.543
253.2
Linoleic acid
Linoleic acid
ME390170
5280450
C01595
12.589
279.2
Docosapentaenoic acid (22n-3)
DPA
ME390105
5497182
C16513
12.6
329.3
Pentadecanoic acid
Pentadecylic acid
ME390208
13849
C16537
12.669
241.2
Dihomo-gamma-linolenic acid
Dihomo-gamma-linolenic acid
ME390062
5280581
C03242
12.729
305.3
Linoelaidic acid
Linoelaidic acid
ME390169
5282457
-
12.729
279.2
10Z-Heptadecenoic acid
10Z-Heptadecenoic acid
ME390043
5312435
-
12.737
267.2
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
Palmitic acid
Palmitic acid
ME390205
985
C00249
12.98
255.2
Oleic acid
Oleic acid
ME390196
445639
C00712
13.054
281.3
Heptadecanoic acid
Margaric acid
ME390129
10465
-
13.29
269.3
10Z-Nonadecenoic acid
Nonadeca-10Z-enoic acid
ME390191
5312513
C00174
13.323
295.3
Stearic acid
Stearic acid
ME390227
5281
C01530
13.599
283.3
Glycine
Glycine
ME390120
750
C00037
1.41
76
Serine
Serine
ME390162
5951
C00065
1.433
106
Glutamine
Glutamine
ME390150
5961
C00064
1.524
147.1
Sarcosine
Sarcosine
ME390223
1088
C00213
1.555
90
Homoserine
Homoserine
ME390153
12647
C00263
1.56
120.1
Beta-Alanine
beta-Alanine
ME390080
239
C00099
1.648
90
Guanidoacetic acid
Guanidoacetic acid
ME390128
763
C00581
1.656
116.1
Dimethylglycine
Dimethylglycine
ME390102
673
C01026
1.679
104.1
Carnitine
Carnitine
ME390083
10917
C00318
1.688
162.1
Alanine
Alanine
ME390143
5950
C00041
1.701
90
Methionine sulfoxide
Methionine sulfoxide
ME390176
158980
C02989
1.71
164
Citrulline
Citrulline
ME390090
9750
C00327
1.723
176.1
Galactonic acid
Galactonic acid
ME390111
128869
C00880
1.749
195.1
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME390112
119
C00334
1.767
104.1
threonine
Threonine
ME390163
6288
C00188
1.822
120.1
Gluconolactone
Gluconolactone
ME390094
7027
C00198
1.886
177
Creatine
Creatine
ME390091
586
C00300
1.97
132.1
Threonic acid
Threonic acid
ME390236
5460407
C01620
2.049
137
Erythronic acid
Erythronic acid
ME390108
2781043
-
2.05
135
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME390188
445063
C00270
2.237
308.1
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME390144
64956
C05145
2.25
104.1
Homocitrulline
Homocitrulline
ME390152
65072
C02427
2.272
190.1
Adenosine monophosphate
AMP
ME390066
6083
C00020
2.33
348.1
Glyceric acid
Glyceric acid
ME390119
439194
C00258
2.359
105
Proline
Proline
ME390161
145742
C00148
2.387
116.1
Cystine
Cystine
ME390148
67678
C00491
2.391
241
N-Acetylserine
N-Acetylserine
ME390189
65249
-
2.659
146.1
Glycylproline
Gly-Pro
ME390127
3013625
-
2.702
173.1
Glycolic acid
Glycolic acid
ME390125
757
C00160
2.715
75
Pipecolic acid
Pipecolic acid
ME390160
439227
C00408
2.74
128.1
Shikimic acid
Shikimic acid
ME390226
8742
C00493
2.774
173.1
N-Acetylglutamine
N-Acetylglutamine
ME390187
182230
-
2.792
187.1
Acetylcarnitine
CAR 2:0
ME390167
7045767
C02571
2.828
204.1
Acetylglycine
N-Acetylglycine
ME390065
10972
-
2.849
116
Hydroxypropionic acid
Hydroxypropionic acid
ME390135
68152
C01013
2.933
91
Methylcysteine
Methylcysteine
ME390177
24417
-
3.169
136
Glutamic acid
Glutamic acid
ME390149
33032
C00025
3.284
148.1
Valine
Valine
ME390166
6287
C00183
3.284
116.1
D-Maltose and Alpha-Lactose
-
ME390096
-
C00208/C00243
3.286
341.1
Pyroglutamic acid
Pyroglutamic acid
ME390219
7405
C01879
3.286
128
Tyrosine
Tyrosine
ME390165
6057
C00082
3.358
182.1
Lactic acid
Lactic acid
ME390154
107689
C00186
3.361
89
Glucose
Glucose
ME390095
64689
C00221
3.37
179.1
5-Aminolevulinic acid
5-Amino-levulinic acid
ME390059
137
C00430
3.375
130.1
Asparagine
Asparagine
ME390146
6267
C00152
3.409
133.1
Acetic acid
Acetic acid
ME390063
176
C00033
3.476
59
5-Hydroxy-tryptophan
5-Hydroxy-tryptophan
ME390061
439280
C00643
3.571
221.1
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME390052
92135
C01089
3.575
103
Norvaline
Norvaline
ME390193
439575
C01799
3.58
118.1
Methionine
Methionine
ME390158
6137
C00073
3.646
150.1
Propionylcarnitine
CAR 3:0
ME390217
188824
C03017
3.679
218.1
3-Hydroxylisovalerylcarnitine
-
ME390057
53915061
-
3.724
262.2
Glutaconic acid
Glutaconic acid
ME390116
5280498
C02214
3.776
129
Fructose
Fructose
ME390093
439709
C02336
3.829
179.1
Xylose
Xylose
ME390097
135191
C00181
3.902
149.1
alpha-Hydroxyisobutyric acid
2-Hydroxyisobutyric acid
ME390070
11671
-
3.91
103
2-Hydroxy-2-methylbutyric acid
2-Hydroxy-2-methyl-butyric acid
ME390045
95433
-
4.07
117.1
Xylulose
Xylulose
ME390098
12358757
C00310
4.186
149.1
Rhamnose
Rhamnose
ME390221
25310
C00507
4.259
163.1
3-Hydroxyisovaleric acid
3-Hydroxyisovaleric acid
ME390053
69362
-
4.293
117.1
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME390047
440864
C05984
4.325
103
Leucine
Leucine
ME390155
6106
C00123
4.328
130.1
Propionic acid
Propionic acid
ME390216
1032
C00163
4.398
73
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
ME390051
102959
-
4.65
181.1
Protocatechuic acid
Protocatechuic acid
ME390218
72
C00230
4.655
155
Aspartic acid
Aspartic acid
ME390147
5960
C00049
4.659
134
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME390134
9378
C03672
4.683
183.1
Homovanillic acid
Homovanillic acid
ME390132
1738
C05582
4.685
181.1
Phenylalanine
Phenylalanine
ME390159
6140
C00079
4.75
166.1
Tryptophan
Tryptophan
ME390164
6305
C00078
4.93
205.1
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME390203
127
C00642
4.947
151
Aminoadipic acid
Aminoadipic acid
ME390074
92136
C00956
4.973
162.1
Malonylcarnitine
CAR DC3:0
ME390174
91825606
-
4.978
248.1
Glucaric acid
Glucaric acid
ME390115
33037
C00818
5.004
211
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME390050
6426901
-
5.165
246.2
Tartaric acid
Tartaric acid
ME390231
444305
C00898
5.188
149
Glutarylcarnitine
CAR DC5:0
ME390118
53481699
-
5.229
276.1
Isovalerylcarnitine
CAR 4:0;3Me
ME390141
6426851
-
5.325
246.2
2-Hydroxy-3-methylbutyric acid
2-Hydroxy-3-methylbutyric acid
ME390046
99823
-
5.338
119.1
Methylmalonylcarnitine
CAR DC3:0;2Me
ME390180
-
-
5.36
262.1
Adipoylcarnitine
CAR DC6:0
ME390068
91826562
-
5.395
290.2
Butyric acid
Butyric acid
ME390081
264
C00246
5.436
87.1
N-Acetyaspartic acid
N-Acetylaspartic acid
ME390186
65065
C01042
5.623
176
Hippuric acid
Hippuric acid
ME390131
464
C01586
5.664
180.1
Malic acid
Malic acid
ME390157
222656
C00149
5.693
135
Picolinic acid
Picolinic acid
ME390214
1018
C10164
5.753
124
Ortho-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME390199
11970
C05852
5.819
153
Mandelic acid
Mandelic acid
ME390175
439616
C01984
5.833
151
Malonic acid
Malonic acid
ME390173
867
C00383
5.942
103
D-2-Hydroxyglutaric acid
D-2-Hydroxyglutaric acid
ME390092
439391
C02630
5.959
149
Citramalic acid
Citramalic acid
ME390088
1081
C00815
5.96
147
Succinic acid
Succinic acid
ME390230
1738118
C00042
5.994
117
Methylmalonic acid
Methylmalonic acid
ME390179
487
C02170
5.997
119
cis-Aconitic acid
cis-Aconitic acid
ME390087
643757
C00417
6.14
173
trans-Aconitic acid
trans-Aconitic acid
ME390237
444212
C02341
6.235
175
Hexanoylcarnitine
CAR 6:0
ME390130
3246938
-
6.301
260.2
Glutaric acid
Glutaric acid
ME390117
743
C00489
6.329
133
Methylsuccinic acid
Methylsuccinic acid
ME390181
6950476
-
6.342
131
Benzoic acid
Benzoic acid
ME390079
243
C00180
6.349
123
Isovaleric acid
Isovaleric acid
ME390140
10430
C08262
6.368
101.1
Oxalic acid
Oxalic acid
ME390200
971
C00209
6.445
89
Adipic acid
Adipic acid
ME390067
196
C06104
6.504
145.1
Maleic acid
Maleic acid
ME390172
444266
C01384
6.513
115
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME390048
99824
-
6.546
133.1
Selenomethionine
Selenomethionine
ME390225
105024
C05335
6.6
196
Fumaric acid
Fumaric acid
ME390110
444972
C00122
6.666
117
Phthalic acid
Phthalic acid
ME390213
1017
C01606
6.676
165
Phenyllactic acid
Phenyllactic acid
ME390210
3848
-
6.703
165.1
Indoleacetic acid
Indoleacetic acid
ME390137
802
C00954
6.725
176.1
Methylglutaric acid
Methylglutaric acid
ME390178
12284
-
6.737
145.1
N-Methylnicotinamide
N-Methylnicotinamide
ME390190
64950
-
6.774
135.1
Phenylacetic acid
Phenylacetic acid
ME390209
999
C07086
6.774
137.1
Pimelic acid
Pimelic acid
ME390215
385
C02656
6.852
159.1
3-Methyladipic acid
3-Methyladipic acid
ME390056
6999745
-
7.002
159.1
Indole-3-propionic acid
3-Indolepropionic acid
ME390054
3744
-
7.264
190.1
Suberic acid
Suberic acid
ME390229
10457
C08278
7.272
173.1
Isocitric acid
Isocitric acid
ME390139
1198
C00311
7.274
191
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME390235
12443252
-
7.28
498.3
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME390234
119046
-
7.38
498.7
Phosphoribosyl pyrophosphate
Phosphoribosyl pyrophosphate
ME390212
7339
C00119
7.43
389
Citric acid
Citric acid
ME390089
311
C00158
7.579
191
2-Phenylpropionate
2-Phenylpropanoate
ME390049
10296
-
7.583
151.1
Hydrocinnamic acid
Hydrocinnamic acid
ME390133
107
C05629
7.585
151.1
Isocaproic acid
Isocaproic acid
ME390138
12587
-
7.592
115.1
Taurocholic acid
Taurocholic acid
ME390233
6675
C05122
7.61
514.3
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME390109
10267
C05378
7.677
339
Cinnamic acid
trans-Cinnamic acid
ME390086
5372954
C10438
7.7
149.1
Caproic acid
Caproic acid
ME390082
8892
C01585
7.764
115.1
Azelaic acid
Azelaic acid
ME390076
2266
C08261
7.773
189.1
Octanoylcarnitine
CAR 8:0
ME390195
11953814
C02838
8.01
288.2
Sebacic acid
Sebacic acid
ME390224
5192
C08277
8.336
203.1
Pyruvic acid
Pyruvic acid
ME390220
1060
C00022
8.368
87
Benzenebutanoic acid
-
ME390078
4775
-
8.415
165.1
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME390058
979
C01179
8.689
181
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME390232
387316
C05465
8.8
498.3
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME390073
92258
C04148
8.802
265.1
Glycohyocholic acid
Glycohyocholic acid
ME390124
71361462
-
9.149
464.6
Alpha-ketoisovaleric acid
Ketoisovaleric acid
ME390071
49
C00141
9.35
117
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME390126
12310288
-
9.453
448.3
Oxoglutaric acid
2-Oxoglutaric acid
ME390202
51
C00026
9.469
145
Decanoylcarnitine
CAR 10:0
ME390100
10245190
-
9.53
316.2
Oxoadipic acid
Oxoadipic acid
ME390201
71
C00322
9.768
159
Acetoacetic acid
Acetoacetic acid
ME390064
96
C00164
9.82
101
Glycocholic acid
Glycocholic acid
ME390122
10140
C01921
9.825
464.3
Caprylic acid
Caprylic acid
ME390194
379
C06423
9.883
143.1
3-Methy2-oxovaleric acid
(S)-3-Methyl-2-oxopentanoic acid
ME390055
47
C00671
9.915
131.1
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