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Return to study ST001526 main page
Analysis: GC UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME368366
43
C02630
506306
247
alpha-ketoglutarate
2-Oxoglutaric acid
ME368338
51
C00026
507392
198
2-ketoisocaproic acid
Ketoleucine
ME368364
70
C00233
310761
89
3-(3-hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME368361
91
C11457
583925
192
hydrocinnamic acid
Hydrocinnamic acid
ME368264
107
C05629
434422
104
4-aminobutyric acid
4-Aminopentanoic acid
ME368354
119
C00334
488730
304
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME368353
135
C00156
537925
223
5-aminovaleric acid
5-Aminopentanoic acid
ME368351
138
C00431
536657
174
adenine
Adenine
ME368346
190
C00147
646534
264
adipic acid
Adipic acid
ME368343
196
C06104
474435
111
allantoic acid
Allantoic acid
ME368340
203
C00499
726050
259
hexose-6-phosphate
Hexose 6-phosphate
ME368268
208
C02965
806282
387
beta-alanine
beta-Alanine
ME368327
239
C00099
435564
248
benzoic acid
Benzoic acid
ME368328
243
C00180
338990
179
citric acid
Citric acid
ME368316
311
C00158
615341
273
salicylic acid
Salicylic acid
ME368171
338
C00805
480699
267
hippuric acid
Hippuric acid
ME368266
464
C01586
636836
206
malic acid
Malic acid
ME368231
525
C00711
463180
233
creatinine
Creatinine
ME368313
588
C00791
502599
115
cystine
Cystine
ME368310
595
C01420
804619
218
cytosin
Cytosine
ME368307
597
C00380
486724
254
isohexonic acid
-
ME368251
604
-
698302
333
lactic acid
Lactic acid
ME368245
612
C01432
217657
191
ethanolamine
Ethanolamine
ME368298
700
C00189
344675
174
3-phosphoglycerate
3-Phosphoglyceric acid
ME368355
724
C00597
610734
227
glutaric acid
Glutaric acid
ME368281
743
C00489
421596
261
glycine
Glycine
ME368275
750
C00037
368707
248
glycerol
Glycerol
ME368278
753
C00116
344428
205
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME368276
754
C03189
590747
357
glycolic acid
Glycolic acid
ME368273
757
C00160
227215
177
glycocyamine
Guanidoacetic acid
ME368274
763
C00581
511016
171
hydroxylamine
Hydroxylamine
ME368262
787
C00192
250536
146
hypoxanthine
Hypoxanthine
ME368261
790
C00262
619128
265
indole-3-acetate
Indoleacetic acid
ME368260
802
C00954
684929
202
pentitol
Arabitol
ME368196
827
D00061
563801
307
ribitol
Ribitol
ME368177
827
C00474
575497
217
myo-inositol
Myo-inositol
ME368219
892
C00137
730022
305
nicotinamide
Niacinamide
ME368212
936
C00153
471602
179
nicotinic acid
Nicotinic acid
ME368211
938
C00253
366992
180
orotic acid
Orotic acid
ME368205
967
C00295
586317
254
oxalic acid
Oxalic acid
ME368204
971
C00209
260513
190
palmitic acid
Palmitic acid
ME368202
985
C00249
713809
313
phenylethylamine
Phenylethylamine
ME368193
1001
C05332
510327
174
phosphate
Phosphoric acid
ME368192
1004
C00009
348274
314
phosphoethanolamine
Phosphoethanolamine
ME368190
1015
C00346
604335
299
2-picolinic acid
Picolinic acid
ME368362
1018
C10164
383668
180
pyrophosphate
Pyrophosphate
ME368181
1023
C00013
327517
110
putrescine
Putrescine
ME368182
1045
C00138
588119
174
pyruvic acid
Pyruvic acid
ME368180
1060
C00022
213805
174
succinic acid
Succinic acid
ME368162
1110
C00042
370737
247
succinate semialdehyde
Succinic acid semialdehyde
ME368163
1112
C00232
297024
113
taurine
Taurine
ME368158
1123
C00245
556690
326
thymine
Thymine
ME368153
1135
C00178
420133
255
uracil
Uracil
ME368146
1174
C00106
385816
241
uric acid
Uric acid
ME368144
1175
C00366
730691
441
urea
Urea
ME368145
1176
C00086
326574
189
xanthine
Xanthine
ME368140
1188
C00385
701688
353
5-methoxytryptamine
5-Methoxytryptamine
ME368349
1833
C05659
864466
174
beta-glycerolphosphate
sn-Glycero-2-phosphate
ME368325
2526
C02979
574470
243
capric acid
Capric acid
ME368321
2969
C01571
452386
229
indole-3-propionic acid
3-Indolepropionic acid
ME368258
3744
-
732249
202
lauric acid
Lauric acid
ME368241
3893
C02679
547906
117
pentobarbital NIST
Pentobarbital
ME368195
4737
C07422
605665
141
serotonin
Serotonin
ME368169
5202
C00780
863824
174
stearic acid
Stearic acid
ME368164
5281
C01530
787622
117
ribose
Ribose
ME368175
5779
C00121
553135
217
sorbitol
Sorbitol
ME368166
5780
C00794
667922
217
thymidine
Thymidine
ME368154
5789
C00214
349402
170
cysteine
Cysteine
ME368312
5862
C00097
500158
220
alanine
Alanine
ME368342
5950
C00041
243971
116
serine
Serine
ME368170
5951
C00065
395020
218
glucose-6-phosphate
Glucose 6-phosphate
ME368284
5958
C00092
820524
387
aspartic acid
Aspartic acid
ME368330
5960
C00049
480387
232
glutamine
Glutamine
ME368282
5961
C00064
600000
156
lysine
Lysine
ME368236
5962
C00047
663483
156
sucrose
Sucrose
ME368161
5988
C00089
912704
271
cholesterol
Cholesterol
ME368319
5997
C00187
1078536
129
inosine
Inosine
ME368256
6021
C00294
897184
230
uridine
Uridine
ME368143
6029
C00299
861508
217
uridine-5-monophosphate
UMP
ME368142
6030
C00105
977896
169
tyrosine
Tyrosine
ME368149
6057
C00082
671252
218
adenosine-5-monophosphate
AMP
ME368344
6083
C00020
1038688
169
leucine
Leucine
ME368240
6106
C00123
346101
158
cytidine-5-monophosphate
CMP
ME368308
6131
C00055
700635
243
methionine
Methionine
ME368223
6137
C00073
483560
176
phenylalanine
Phenylalanine
ME368194
6140
C00079
537804
218
cellobiose
Cellobiose
ME368320
6255
C01971
932179
204
ornithine
Ornithine
ME368206
6262
C00077
527113
142
asparagine
Asparagine
ME368331
6267
C00152
553078
188
histidine
Histidine
ME368265
6274
C00135
663739
154
valine
Valine
ME368141
6287
C00183
309359
144
threonine
Threonine
ME368155
6288
C00188
408777
218
tryptophan
Tryptophan
ME368150
6305
C00078
780482
202
isoleucine
Isoleucine
ME368250
6306
C00407
359251
158
quinic acid
Quinic acid
ME368179
6508
C00296
634900
345
pantothenic acid
Pantothenic acid
ME368200
6613
C12276
690887
291
2-aminobutyric acid
2-Aminobutyric acid
ME368369
6657
C02721
286855
130
guanosine
Guanosine
ME368271
6802
C00387
954962
324
xylitol
Xylitol
ME368138
6912
C00379
567437
217
lactobionic acid
Lactobionic acid
ME368243
7314
C04247
972139
204
oxoproline
Oxoproline
ME368203
7405
C01879
485935
156
pelargonic acid
Pelargonic acid
ME368198
8158
C01601
399229
117
dodecanol
Dodecanol
ME368302
8193
C02277
507619
243
octadecanol
Stearyl alcohol
ME368209
8221
-
755409
327
inosine 5'-monophosphate
IMP
ME368255
8582
C00130
1016811
169
shikimic acid
Shikimic acid
ME368168
8742
C00493
611100
204
citrulline
Citrulline
ME368315
9750
C00327
621404
157
indoxyl sulfate
Indoxyl sulfate
ME368257
10258
-
577333
277
isoxylonic acid
-
ME368247
10264
C02341
590775
189
3-(4-hydroxyphenyl)propionic acid
Desaminotyrosine
ME368360
10394
C01744
598147
179
4-hydroxybutyric acid
4-Hydroxybutyric acid
ME368352
10413
C00989
325027
233
heptadecanoic acid
Margaric acid
ME368270
10465
-
751309
117
arachidic acid
Arachidic acid
ME368334
10467
C06425
856421
117
1,2,4-benzenetriol
1,2,4-Trihydroxybenzene
ME368377
10787
C02814
521803
239
maleimide
Maleimide
ME368232
10935
C07272
245118
154
myristic acid
Myristic acid
ME368218
11005
C06424
634414
285
hexadecane
Hexadecane
ME368269
11006
-
525964
85
butyrolactam NIST
2-Pyrrolidinone
ME368322
12025
-
277199
142
methanolphosphate
Methanolphosphate
ME368225
13130
-
289520
241
pentadecanoic acid
Pentadecylic acid
ME368197
13849
C16537
674647
117
pseudo uridine
Pseudouridine
ME368184
15047
C02067
813899
217
UDP-glucuronic acid
UDP-glucuronic acid
ME368147
17473
C00167
587601
217
mannose
Mannose
ME368228
18950
C00159
645856
205
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME368216
24139
C03878
746341
319
1-monostearin
MG 18:0/0:0/0:0
ME368372
24699
D01947
959214
203
glutamic acid
Glutamic acid
ME368283
33032
C00025
527086
246
saccharic acid
Glucaric acid
ME368172
33037
C00818
699211
333
adenosine
Adenosine
ME368345
60961
C00212
918039
236
glucose
Glucose
ME368286
64689
C00221
659798
319
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME368357
64956
C05145
455267
248
xanthosine
Xanthosine
ME368139
64959
C01762
926133
325
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME368375
64960
C07326
633603
217
N-acetylaspartic acid
N-Acetylaspartic acid
ME368217
65065
C01042
548028
158
mannose-6-phosphate
Mannose 6-phosphate
ME368227
65127
C00275
822643
387
glucose-1-phosphate
Glucose 1-phosphate
ME368285
65533
C00103
594647
217
dihydrocholesterol
Dihydrocholesterol
ME368304
66066
C12978
1082070
215
parabanic acid NIST
Parabanic acid
ME368199
67126
C00802
464991
100
ethanol phosphate NIST
Ethylphosphate
ME368299
74190
-
317291
211
phosphogluconic acid
Phosphogluconic acid
ME368189
91493
C00345
847013
299
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME368356
92135
C01089
278632
191
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME368339
92136
C00956
573295
260
melezitose
Melezitose
ME368226
92817
C08243
1146704
361
glycyl tyrosine
Gly-Tyr
ME368272
92829
-
922071
174
indole-3-lactate
Indolelactic acid
ME368259
92904
C02043
764586
202
arabitol
Arabitol
ME368335
94154
C01904
570685
217
methyl O-D-galactopyranoside
Methyl beta-D-galactoside
ME368221
94214
C03619
630836
204
lactamide
Lactamide
ME368246
94220
-
265698
232
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME368365
98009
-
309587
131
aminomalonate
Aminomalonic acid
ME368336
100714
C00872
455754
218
bisphosphoglycerol
-
ME368323
102018
-
764660
299
N-acetylputrescine
N-Acetylputrescine
ME368213
122356
C02714
595523
174
glutathione
Glutathione
ME368280
124886
C00051
761296
213
galactonic acid
Galactonic acid
ME368291
128869
C00880
690882
292
xylose
Xylose
ME368136
135191
C00181
544100
103
proline
Proline
ME368186
145742
C00148
364716
142
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME368368
150929
-
433456
189
isothreonic acid
D-Threonic acid
ME368248
151152
C00639
489385
292
p-tolyl glucuronide
P-Cresol glucuronide
ME368183
154035
-
847531
180
lactitol
Lactitol
ME368244
157355
C13542
959541
361
methionine sulfoxide
Methionine sulfoxide
ME368222
158980
C02989
637588
128
pinitol
Pinitol
ME368188
164619
C03844
622466
260
threitol
Threitol
ME368157
169019
C16884
467595
217
cholic acid
Cholic acid
ME368318
221493
C05463
1109517
253
beta-sitosterol
Sitosterol
ME368324
222284
C01753
1128225
129
erythritol
Erythritol
ME368301
222285
C00503
471922
217
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME368371
250402
-
384796
292
6(5h)-benzo[c]phenanthridinone, 11,12-dihydro-
-
ME368348
362864
-
676571
247
ribose-5-phosphate
Ribose 5-phosphate
ME368174
439167
C00117
731837
315
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME368350
439176
C00170
967036
236
ribulose-5-phosphate
Ribulose 5-phosphate
ME368173
439184
C00199
735908
357
maltose
Maltose
ME368230
439186
C00208
946601
204
isomaltose
Isomaltose
ME368249
439193
C00252
983199
160
glyceric acid
Glyceric acid
ME368279
439194
C00258
377495
189
xylulose NIST
Xylulose
ME368135
439205
C00312
553450
173
lyxose
Lyxose
ME368234
439240
C00476
541086
217
raffinose
Raffinose
ME368178
439242
C00492
1120886
361
lyxitol
L-Arabitol
ME368235
439255
C00532
573587
217
noradrenaline
Xi-Norepinephrine
ME368210
439260
C00547
754841
174
N-acetylmannosamine
N-Acetyl-mannosamine
ME368214
439281
C00645
735323
319
tagatose
D-Tagatose
ME368160
439312
C00795
636627
307
galactose
Galactose
ME368290
439357
C00984
648756
319
fructose-1-phosphate
Fructose 1-phosphate
ME368296
439394
C01094
803180
387
galactose-6-phosphate
Galactose 6-phosphate
ME368289
439404
C01113
828102
387
cysteine-glycine
Cys-Gly
ME368311
439498
C01419
715335
220
maltotriose
Maltotriose
ME368229
439586
C01835
1176044
361
fucose
Fucose
ME368294
439650
C02095
578299
160
xylonolactone
D-Xylono-1,5-lactone
ME368137
439692
C02266
535176
217
fructose
Fructose
ME368297
439709
C02336
639442
307
inositol-4-monophosphate
Inositol 4-phosphate
ME368254
440043
C03546
845976
315
1-kestose
1-Kestose
ME368374
440080
C03661
1123027
361
N-acetylgalactosamine
N-Acetylgalactosamine
ME368215
440552
C05021
725570
202
fructose-6-phosphate
Fructose 6-phosphate
ME368295
440641
C05345
804279
315
dehydroascorbic acid
Dehydroascorbic acid
ME368306
440667
C05422
632888
173
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME368367
440864
C05984
259536
131
lactose
Lactose
ME368242
440995
C00243
935640
191
beta-gentiobiose
beta-Gentiobiose
ME368326
441422
C08240
974676
204
sophorose
Sophorose
ME368167
441432
C08250
965726
307
galacturonic acid
Galacturonic acid
ME368288
441476
C08348
678231
333
maleic acid
Maleic acid
ME368233
444266
C01384
363611
245
tartaric acid
Tartaric acid
ME368159
444305
C00898
534291
292
arachidonic acid
Arachidonic acid
ME368333
444899
C00219
834339
91
fumaric acid
Fumaric acid
ME368293
444972
C00122
390016
245
docosahexaenoic acid
Docosahexaenoic acid
ME368303
445580
C06429
902819
91
palmitoleic acid
Palmitoleic acid
ME368201
445638
C08362
704511
311
oleic acid
Oleic acid
ME368207
445639
C00712
781527
339
UDP GlcNAc
UDP-N-acetylglucosamine
ME368148
445675
C00043
627437
226
methylhexose
-
ME368220
560150
-
616058
204
tocopherol alpha-
alpha-Tocopherol
ME368152
638015
C00376
1067809
237
squalene
Squalene
ME368165
638072
C00751
976237
95
aconitic acid
cis-Aconitic acid
ME368347
643757
C00417
586815
229
3,4-dihydroxycinnamic acid
Caffeic acid
ME368359
689043
C01197
748847
219
levoglucosan
Glucosan
ME368239
2724705
-
569637
204
D-erythro-sphingosine
Sphingosine
ME368305
5280335
C00319
859500
204
linoleic acid
Linoleic acid
ME368238
5280450
C01595
777414
150
linolenic acid
Octadecatrienoic acid
ME368237
5280934
C06427
780376
108
cis-gondoic acid
cis-Gondoic acid
ME368317
5282768
C16526
851223
367
oleamide NIST
Oleamide
ME368208
5283387
C19670
849710
144
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME368373
5283468
-
952623
129
isocitric acid
Isocitric acid
ME368252
5318532
C00451
617338
245
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME368363
5319879
-
941794
129
erythronic acid lactone
Erythrono-1,4-lactone
ME368300
5325915
C02341
407495
247
threonic acid
Threonic acid
ME368156
5460407
C01620
497572
292
ribonic acid
Ribonic acid
ME368176
5460677
C01685
597646
292
alanine-alanine
Ala-Ala
ME368341
5484352
C00993
522546
116
gluconic acid
Gluconic acid
ME368287
6857417
C00800
693148
333
pipecolinic acid
Pipecolic acid
ME368187
6931662
-
404121
156
conduritol-beta-epoxide
Conduritol epoxide
ME368314
9989541
-
675635
318
galactinol
Galactinol
ME368292
11727586
C01235
1002731
204
glycerol-3-galactoside
Galactosylglycerol
ME368277
16048618
C05401
800205
204
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME368358
16069996
C06474
588886
231
hydroxycarbamate NIST
Hydroxycarbamic acid
ME368263
16639161
-
325948
278
azelaic acid
Azelaic acid
ME368329
19347555
C08261
610551
317
inulotriose
Levan
ME368253
22833608
C01355
1131821
361
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME368370
23368901
-
397526
241
ascorbic acid
Vitamin C
ME368332
54670067
C00072
672898
332
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME368191
58114173
C00074
518184
211
1,3,5-trimethylcyanuric acid
-
ME368376
-
-
416269
171
altrose
-
ME368337
-
-
651039
157
cytidine
Cytidine
ME368309
-
-
934269
223
hexuronic acid
Hexuronic acid
ME368267
-
-
673957
333
metharbital
Metharbital
ME368224
-
-
574906
155
propyleneglycol
Propylene glycol
ME368185
-
-
177885
117
trans-4-hydroxy-L-proline
trans-4-Hydroxyproline
ME368151
-
-
459475
158
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