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Return to study ST000396 main page
Analysis: GC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2,4-benzenetriol
1,2,4-Trihydroxybenzene
ME134537
10787
C02814
521560
239
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME134536
64960
C07326
634023
217
butane-2,3-diol (NIST)
2,3-Butanediol
ME134511
262
C03044
204284
117
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME134535
13120900
-
384445
292
2-deoxyerythritol
2-Deoxyerythritol
ME134534
18302
-
354236
117
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME134532
94318
C05984
258175
131
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME134530
98009
-
310750
131
dihydro-3-coumaric acid
3-(3-Hydroxyphenyl)propanoic acid
ME134500
91
C11457
583527
205
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME134533
150929
-
432896
189
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME134528
64956
C05145
452732
248
3-hydroxybutanoic acid
3-Hydroxybutyric acid
ME134527
11266
C05984
278929
191
5-methoxytryptamine
5-Methoxytryptamine
ME134523
1833
C05659
863982
174
paracetamol
Acetaminophen
ME134442
1983
C06804
538566
206
acetophenone NIST
Acetophenone
ME134522
7410
C07113
238719
105
adipic acid
Adipic acid
ME134521
196
C06104
473092
111
alanine
Alanine
ME134520
5950
C00041
236539
116
tocopherol alpha
alpha-Tocopherol
ME134418
14985
C02477
1067178
237
aminomalonic acid
Aminomalonic acid
ME134519
100714
C00872
455266
218
arachidonic acid isomer
Arachidonic acid
ME134518
5312542
-
835751
91
asparagine
Asparagine
ME134517
6267
C00152
554276
116
aspartic acid
Aspartic acid
ME134516
5960
C00049
478092
232
benzoic acid
Benzoic acid
ME134515
243
C00180
338714
179
benzylalcohol
Benzyl alcohol
ME134514
244
C00556
281338
165
beta-alanine
beta-Alanine
ME134513
239
C00099
435375
248
capric acid
Capric acid
ME134510
2969
C01571
451122
117
cholesterol
Cholesterol
ME134509
5997
C00187
1079924
129
4-hydroxyproline
cis-4-Hydroxyproline
ME134525
825
C01015
484516
140
citramalic acid
Citramalic acid
ME134508
1081
C00815
456337
247
citric acid
Citric acid
ME134507
311
C00158
617288
273
citrulline
Citrulline
ME134506
9750
C00327
621606
157
conduritol-beta-epoxide
Conduritol epoxide
ME134505
119054
-
704220
318
creatinine
Creatinine
ME134504
588
C00791
502434
115
cysteine-glycine
Cys-Gly
ME134502
439498
C01419
715639
220
cysteine
Cysteine
ME134503
594
C00097
499495
220
cystine
Cystine
ME134501
67678
C00491
804143
218
tagatose
D-Tagatose
ME134423
92092
D09007
630162
307
elaidic acid
Elaidic acid
ME134499
5282749
C01712
780799
339
erythritol
Erythritol
ME134498
222285
C00503
471274
205
ethanolamine
Ethanolamine
ME134497
700
C00189
340837
174
fructose
Fructose
ME134496
107428
-
638202
307
fumaric acid
Fumaric acid
ME134495
444972
C00122
390988
245
galactonic acid
Galactonic acid
ME134494
128869
C00880
692399
292
glycerol-3-galactoside
Galactosylglycerol
ME134486
656504
C05401
803554
204
gamma-tocopherol
gamma-Tocopherol
ME134493
92729
C02483
1026222
223
gluconic acid
Gluconic acid
ME134492
10690
C00257
693140
333
levoglucosan
Glucosan
ME134462
2724705
-
569799
204
glucose
Glucose
ME134491
5793
C00031
657634
160
glucuronic acid
Glucuronic acid
ME134490
65041
C16245
666401
333
glutamine
Glutamine
ME134489
5961
C00064
600452
156
glyceric acid
Glyceric acid
ME134488
439194
C00258
373972
189
glycerol
Glycerol
ME134487
753
C00116
344223
205
glycine
Glycine
ME134484
750
C00037
364262
174
glycolic acid
Glycolic acid
ME134482
757
C00160
229810
177
glycocyamine
Guanidoacetic acid
ME134483
763
C00581
508662
171
hippuric acid
Hippuric acid
ME134481
464
C01586
616499
105
hydrocinnamic acid
Hydrocinnamic acid
ME134480
107
C05629
435417
104
hydroquinone
Hydroquinone
ME134479
785
C00530
422662
239
p-hydroquinone
Hydroquinone
ME134438
785
C00530
422925
239
hydroxylamine
Hydroxylamine
ME134478
787
C00192
255769
146
3-hydroxypropionic acid
Hydroxypropionic acid
ME134526
68152
C01013
269975
177
indole-3-acetate
Indoleacetic acid
ME134477
802
C00954
685195
202
indole-3-lactate
Indolelactic acid
ME134476
92904
C02043
764543
202
inosine
Inosine
ME134475
6021
C00294
897806
217
isobutene glycol NIST
Isobutene glycol
ME134472
68410
-
229031
144
isocitric acid
Isocitric acid
ME134471
5318532
C00311
616685
245
isoleucine
Isoleucine
ME134469
6306
C00407
359190
158
2-ketoisocaproic acid
Ketoleucine
ME134529
70
C00233
310629
200
kynurenine
Kynurenine
ME134467
161166
C00328
769271
218
lactic acid
Lactic acid
ME134466
61503
C00256
215380
191
lactobionic acid
Lactobionic acid
ME134465
517381
-
952195
204
lauric acid
Lauric acid
ME134464
3893
C02679
548310
117
leucine
Leucine
ME134463
6106
C00123
345953
158
linoleic acid
Linoleic acid
ME134461
5280450
C01595
777102
337
lysine
Lysine
ME134459
5962
C00047
662525
156
lyxose
Lyxose
ME134458
65550
-
540208
217
malic acid
Malic acid
ME134457
222656
C00149
461034
233
methanolphosphate
Methanolphosphate
ME134456
13130
-
293419
241
methionine
Methionine
ME134455
6137
C00073
482984
176
methionine sulfoxide
Methionine sulfoxide
ME134454
158980
C02989
604971
128
methylhexadecanoic acid
Methylhexadecanoic acid
ME134453
10465
-
750645
117
inositol myo-
Myo-inositol
ME134473
892
C00137
729867
305
myristic acid
Myristic acid
ME134452
11005
C06424
634543
285
nicotinic acid
Nicotinic acid
ME134451
938
C00253
354525
180
N-methylalanine
N-Methylalanine
ME134450
5288725
C02721
286258
130
linolenic acid
Octadecatrienoic acid
ME134460
5280934
C06427
779785
108
oleic acid
Oleic acid
ME134449
445639
C00712
779154
339
ornithine
Ornithine
ME134448
6262
C00077
619715
142
oxalic acid
Oxalic acid
ME134447
971
C00209
259625
147
oxoproline
Oxoproline
ME134446
7405
C01879
489576
156
palmitic acid
Palmitic acid
ME134445
985
C00249
713542
313
palmitoleic acid
Palmitoleic acid
ME134444
445638
C08362
706298
129
parabanic acid NIST
Parabanic acid
ME134443
67126
-
464937
100
pelargonic acid
Pelargonic acid
ME134441
8158
C01601
399163
117
phenylalanine
Phenylalanine
ME134440
6140
C00079
537760
218
phosphoric acid
Phosphoric acid
ME134439
1004
C00009
342472
314
pipecolic acid
Pipecolic acid
ME134437
439227
C00408
401074
156
proline
Proline
ME134436
145742
C00148
364232
142
pseudo uridine
Pseudouridine
ME134435
553482
-
813744
217
pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME134434
12473
C05942
394389
240
pyruvic acid
Pyruvic acid
ME134433
1060
C00022
208709
174
quinic acid
Quinic acid
ME134432
6508
C00296
630216
255
rhamnose
Rhamnose
ME134431
25310
C00507
575559
117
ribonic acid
Ribonic acid
ME134430
5460677
C01685
598019
292
salicylic acid
Salicylic acid
ME134429
338
C00805
480445
267
2-hydroxyhippuric acid
Salicyluric acid
ME134531
10263
C07588
725431
324
serine
Serine
ME134428
5951
C00065
391397
204
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME134485
754
C00093
591357
299
stearic acid
Stearic acid
ME134427
5281
C01530
787358
117
succinic acid
Succinic acid
ME134426
1110
C00042
370518
247
sucrose
Sucrose
ME134425
5988
C00089
913309
271
5-hydroxymethyl-2-furoic acid NIST
Sumiki's acid
ME134524
80642
-
497599
123
taurine
Taurine
ME134422
1123
C00245
557250
326
sulfuric acid
TG 16:0_18:1_18:1
ME134424
1118
C00059
283162
227
isothreitol
Threitol
ME134468
169019
-
464512
217
threitol
Threitol
ME134421
169019
-
467314
217
threonic acid
Threonic acid
ME134420
439535
C01620
494205
292
threonine
Threonine
ME134419
6288
C00188
409488
117
tryptophan
Tryptophan
ME134417
6305
C00078
781209
202
tyrosine
Tyrosine
ME134416
6057
C00082
670802
218
urea
Urea
ME134415
1176
C00086
325479
171
uric acid
Uric acid
ME134414
1175
C00366
730534
441
uridine
Uridine
ME134413
6029
C00299
856953
258
valine
Valine
ME134412
6287
C00183
313224
144
xanthine
Xanthine
ME134411
1188
C00385
702391
353
xylitol
Xylitol
ME134410
6912
C00379
566893
217
xylose
Xylose
ME134409
6027
C00181
540197
103
beta-mannosylglycerate
-
ME134512
5460194
C11544
633028
259
inositol allo-
-
ME134474
892
-
675911
318
isodeoxytetronic acid
-
ME134470
150929
-
390395
117
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