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Return to study ST000386 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
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME133683
64960
C07326
634023
191
butane-2,3-diol (NIST)
2,3-Butanediol
ME133640
262
C03044
204284
117
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME133671
13120900
-
384445
292
2-oxogluconic acid NIST
2-Dehydro-D-gluconic acid
ME133672
3035456
C00629
542152
201
2-deoxyerythritol
2-Deoxyerythritol
ME133681
18302
-
354236
117
deoxythreittol NIST
2-Deoxyerythritol
ME133680
18302
-
422939
103
salicylaldehyde
2-Hydroxybenzaldehyde
ME133533
6998
C06202
406706
193
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME133677
94318
C05984
257844
131
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME133676
43
C02630
506359
129
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME133674
98009
-
310750
131
alpha ketoglutaric acid
2-Oxoglutaric acid
ME133654
51
C00026
507734
198
5-aminovaleric acid lactame
2-Piperidinone
ME133664
12665
-
275813
170
dihydro-3-coumaric acid
3-(3-Hydroxyphenyl)propanoic acid
ME133626
91
C11457
583527
205
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME133679
-
-
433467
233
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME133669
-
-
453103
174
3-hydroxybutanoic acid
3-Hydroxybutyric acid
ME133668
92135
C01089
278651
191
3-phosphoglycerate
3-Phosphoglyceric acid
ME133667
724
C00197
611619
299
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME133666
127
C00642
541685
296
5-methoxytryptamine
5-Methoxytryptamine
ME133662
1833
C05659
863982
174
6-deoxyglucitol NIST
6-Deoxyglucitol
ME133661
151266
-
595333
117
paracetamol
Acetaminophen
ME133546
1983
C06804
538566
206
acetophenone NIST
Acetophenone
ME133660
7410
C07113
238719
105
adipic acid
Adipic acid
ME133657
196
C06104
475399
111
alanine
Alanine
ME133656
5950
C00041
236539
116
allantoic acid
Allantoic acid
ME133655
203
C00499
646921
428
2-aminoadipic acid
alpha-Aminoadipic acid
ME133682
469
C00956
573532
260
tocopherol alpha
alpha-Tocopherol
ME133519
14985
C02477
1067178
237
aminomalonic acid
Aminomalonic acid
ME133653
100714
C00872
455266
218
adenosine-5-phosphate
AMP
ME133658
6083
C00020
1039143
169
arabinose
Arabinose
ME133652
229
C00259
546892
217
arabitol
Arabitol
ME133651
94154
C01904
572600
307
arachidic acid
Arachidic acid
ME133650
10467
C06425
855930
117
arachidonic acid
Arachidonic acid
ME133649
5312542
-
835751
91
asparagine
Asparagine
ME133648
236
C00152
553698
116
aspartic acid
Aspartic acid
ME133647
5960
C00049
478092
232
azelaic acid
Azelaic acid
ME133646
2266
C08261
610175
317
behenic acid
Behenic acid
ME133645
8215
C08281
919675
132
benzoic acid
Benzoic acid
ME133644
243
C00180
338714
179
benzylalcohol
Benzyl alcohol
ME133643
244
C00556
281338
165
beta-alanine
beta-Alanine
ME133642
239
C00099
435375
248
capric acid
Capric acid
ME133639
2969
C01571
451122
117
caprylic acid
Caprylic acid
ME133638
379
C06423
343899
201
cytidine-5'-diphosphate
CDP
ME133627
290
C00112
861380
217
cellobiotol
Cellobiotol
ME133637
160514
-
956355
204
cholesterol
Cholesterol
ME133636
5997
C00187
1075918
129
4-hydroxyproline
cis-4-Hydroxyproline
ME133665
-
-
487405
230
aconitic acid
cis-Aconitic acid
ME133659
-
-
589666
229
citric acid
Citric acid
ME133635
311
C00158
617288
273
citrulline
Citrulline
ME133634
9750
C00327
620728
157
conduritol beta expoxide
Conduritol epoxide
ME133633
-
-
704785
318
creatinine
Creatinine
ME133632
-
-
504442
115
cyano-L-alanine
Cyanoalanine
ME133631
13538
C02512
404014
141
cysteine-glycine
Cys-Gly
ME133629
439498
C01419
715639
220
cysteine
Cysteine
ME133630
-
-
497030
220
cystine
Cystine
ME133628
67678
C00491
804143
218
dodecanol
Dodecanol
ME133625
8193
C02277
508488
243
tagatose
D-Tagatose
ME133524
-
-
632392
307
isothreonic acid
D-Threonic acid
ME133586
151152
-
489846
292
erythritol
Erythritol
ME133624
222285
C00503
471274
205
ethanolamine
Ethanolamine
ME133623
700
C00189
340837
174
fructose
Fructose
ME133622
5984
C00095
642325
307
fucose
Fucose
ME133621
94270
C01019
584612
117
fumaric acid
Fumaric acid
ME133619
444972
C00122
390988
245
galactonic acid
Galactonic acid
ME133618
128869
C00880
692399
292
galactose-6-phosphate
Galactose 6-phosphate
ME133617
99058
C00446
828457
387
glycerol-3-galactoside
Galactosylglycerol
ME133606
656504
C05401
803554
204
gamma-glutamyl-valine
gamma-Glutamylvaline
ME133616
-
-
761021
345
gamma-tocopherol
gamma-Tocopherol
ME133615
92729
C02483
1026222
223
saccharic acid
Glucaric acid
ME133534
33037
C00818
699250
333
gluconic acid
Gluconic acid
ME133614
10690
C00257
693140
333
levoglucosan
Glucosan
ME133578
2724705
-
569799
204
glucose
Glucose
ME133613
107526
C00031
650726
160
glucuronic acid
Glucuronic acid
ME133612
94715
C00191
666401
333
glutamic acid
Glutamic acid
ME133611
33032
C00025
528717
246
glutamine
Glutamine
ME133610
5961
C00064
600452
156
glutaric acid
Glutaric acid
ME133609
743
C00489
422031
158
glyceric acid
Glyceric acid
ME133608
-
-
379389
189
glycerol
Glycerol
ME133607
-
-
346318
205
glycine
Glycine
ME133604
750
C00037
368041
174
glycolic acid
Glycolic acid
ME133603
757
C00160
227487
177
guanosine
Guanosine
ME133601
6802
C00387
955097
324
hippuric acid
Hippuric acid
ME133599
-
-
637165
174
histidine
Histidine
ME133598
6274
C00135
663393
154
hydroxylamine
Hydroxylamine
ME133597
787
C00192
250798
146
hypoxanthine
Hypoxanthine
ME133596
790
C00262
618133
265
inosine 5'-monophosphate
IMP
ME133592
-
-
1016825
315
indole-3-acetate
Indoleacetic acid
ME133595
802
C00954
685195
202
indole-3-lactate
Indolelactic acid
ME133594
92904
C02043
764543
202
inosine
Inosine
ME133593
6021
C00294
897806
230
inulobiose
Inulobiose
ME133590
439552
C01711
930708
204
isocitric acid
Isocitric acid
ME133589
-
-
617706
245
isoleucine
Isoleucine
ME133588
6306
C00407
359776
158
2-ketoisocaproic acid
Ketoleucine
ME133673
70
C00233
290404
89
kynurenine
Kynurenine
ME133585
161166
C00328
769271
218
5-hydroxynorvaline NIST
L-2-Amino-5-hydroxypentanoic acid
ME133663
95562
-
494838
142
lactamide
Lactamide
ME133584
-
-
265523
232
lactic acid
Lactic acid
ME133583
612
C00186
215380
191
lathosterol NIST
Lathosterol
ME133582
65728
C01189
1095135
255
lauric acid
Lauric acid
ME133581
3893
C02679
548310
117
leucine
Leucine
ME133580
-
-
345709
158
levanbiose
Levanbiose
ME133579
439555
C01725
938676
217
lignoceric acid
Lignoceric acid
ME133577
11197
C08320
977850
117
linoleic acid
Linoleic acid
ME133576
5280450
C01595
777102
337
lysine
Lysine
ME133574
5962
C00047
662967
156
lyxose
Lyxose
ME133573
65550
-
540208
217
maleimide
Maleimide
ME133572
10935
C07272
244928
154
malic acid
Malic acid
ME133571
222656
C00149
461034
233
malonic acid
Malonic acid
ME133570
867
C04025
305831
147
maltose
Maltose
ME133569
6255
C01971
946060
361
maltotriose
Maltotriose
ME133568
92146
C01835
1177212
204
mannitol
Mannitol
ME133567
-
-
665530
103
heptadecanoic acid NIST
Margaric acid
ME133600
10465
-
738392
117
methanolphosphate
Methanolphosphate
ME133566
13130
-
290941
241
methionine
Methionine
ME133565
6137
C00073
483425
176
methionine sulfoxide
Methionine sulfoxide
ME133564
158980
C02989
637775
128
methylhexadecanoic acid
Methylhexadecanoic acid
ME133563
10465
-
750645
117
1-monopalmitin
MG 16:0/0:0/0:0
ME133685
14900
-
901207
371
1-monostearin
MG 18:0/0:0/0:0
ME133684
24699
D01947
956148
399
inositol myo-
Myo-inositol
ME133591
-
-
733355
305
myristic acid
Myristic acid
ME133562
11005
C06424
634543
285
N-acetylglutamate
N-Acetylglutamic acid
ME133561
70914
C00624
477593
158
N-acetylglycine NIST
N-Acetylglycine
ME133560
10972
-
356109
174
N-acetylmannosamine
N-Acetyl-mannosamine
ME133559
-
-
735289
205
naproxen
Naproxen
ME133557
1302
C01517
736205
185
nicotinic acid
Nicotinic acid
ME133556
-
-
353863
180
N-methylalanine
N-Methylalanine
ME133558
5288725
C02721
286258
130
linolenic acid
Octadecatrienoic acid
ME133575
5280934
C06427
779785
108
oleic acid
Oleic acid
ME133554
5282749
C01712
780799
339
ornithine
Ornithine
ME133553
6262
C00077
618525
142
oxalic acid
Oxalic acid
ME133552
971
C00209
259625
147
oxoproline
Oxoproline
ME133551
7405
C01879
489576
156
palmitic acid
Palmitic acid
ME133549
985
C00249
713542
313
palmitoleic acid
Palmitoleic acid
ME133548
445638
C08362
704757
129
parabanic acid NIST
Parabanic acid
ME133547
67126
C00802
464937
100
p-cresol
P-Cresol
ME133550
-
-
280634
165
pelargonic acid
Pelargonic acid
ME133545
8158
C01601
399163
117
phenylalanine
Phenylalanine
ME133544
6140
C00079
537502
218
phenylethylamine
Phenylethylamine
ME133543
1001
C05332
512521
174
phosphoethanolamine
Phosphoethanolamine
ME133542
1015
C00346
604454
100
pipecolic acid
Pipecolic acid
ME133541
-
-
404019
156
proline
Proline
ME133540
145742
C00148
364232
142
pseudo uridine
Pseudouridine
ME133539
15047
C02067
813744
217
pyrophosphate
Pyrophosphate
ME133538
1023
C0013
327474
110
pyruvic acid
Pyruvic acid
ME133537
-
-
208709
174
quinic acid
Quinic acid
ME133536
6508
C00296
634218
255
ribitol
Ribitol
ME133535
827
C00474
575571
217
salicylic acid
Salicylic acid
ME133532
338
C00805
480445
267
2-hydroxyhippuric acid
Salicyluric acid
ME133675
10263
C07588
725431
324
serine
Serine
ME133531
5951
C00065
391397
204
shikimic acid
Shikimic acid
ME133530
-
-
609587
204
beta-sitosterol
Sitosterol
ME133641
222284
C01753
1126938
129
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME133605
754
C00093
591357
299
sorbitol
Sorbitol
ME133529
5780
C00794
669361
319
stearic acid
Stearic acid
ME133528
5281
C01530
787358
117
octadecanol
Stearyl alcohol
ME133555
8221
D01924
755073
327
stigmasterol
Stigmasterol
ME133527
5280794
C05442
1110434
159
succinic acid
Succinic acid
ME133526
-
-
370724
247
sucrose
Sucrose
ME133525
5988
C00089
916949
271
taurine
Taurine
ME133523
1123
C00245
556913
326
threitol
Threitol
ME133522
169019
-
467314
217
threonic acid
Threonic acid
ME133521
439535
C01620
497167
292
threonine
Threonine
ME133520
6288
C00188
410027
117
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME133518
5810
C01157
460567
158
trihydroxypyrazine NIST
Trihydroxypyrazine
ME133517
20221599
-
505411
344
tryptophan
Tryptophan
ME133516
6305
C00078
781209
202
tyrosine
Tyrosine
ME133515
6057
C00082
670802
218
urea
Urea
ME133514
-
-
337230
171
uric acid
Uric acid
ME133513
1175
C00366
730534
441
uridine
Uridine
ME133512
6029
C00299
856953
258
valine
Valine
ME133511
6287
C00183
309905
144
xanthine
Xanthine
ME133510
1188
C00385
702391
353
xylitol
Xylitol
ME133509
6912
C00379
566893
217
xylose
Xylose
ME133508
-
-
543056
217
2,3,5-trihydroxypyrazine NIST
-
ME133670
-
-
531135
344
238267 trisaccharide
-
ME133688
-
-
1122259
361
400671 carbohydrate
-
ME133687
-
-
599923
204
715929 carbohydrate
-
ME133686
-
-
947018
204
deoxytetronic acid NIST
-
ME133678
150929
-
390395
117
fucose + rhamnose
-
ME133620
94270
C01018
577861
117
glyoxalurea NIST
-
ME133602
4157426
-
480421
202
isolinoleic acid NIST
-
ME133587
3931
-
794629
95
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