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Return to study ST000369 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
ME132594
64960
C07326
634023
191
1-monopalmitin
MG 16:0/0:0/0:0
ME132596
14900
-
901207
371
1-monostearin
MG 18:0/0:0/0:0
ME132595
24699
D01947
956148
399
2,3,5-trihydroxypyrazine NIST
-
ME132581
-
-
531135
344
238267 trisaccharide
-
ME132599
-
-
1122259
361
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME132582
13120900
-
384445
292
2-aminoadipic acid
alpha-Aminoadipic acid
ME132593
469
C00956
573532
260
2-deoxyerythritol
2-Deoxyerythritol
ME132592
18302
-
354236
117
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME132590
-
-
433467
233
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME132588
94318
C05984
257844
131
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME132587
43
C02630
506359
129
2-hydroxyhippuric acid
Salicyluric acid
ME132586
10263
C07588
725431
324
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME132585
98009
-
310750
131
2-ketoisocaproic acid
Ketoleucine
ME132584
70
C00233
290404
89
2-oxogluconic acid NIST
2-Dehydro-D-gluconic acid
ME132583
3035456
C00629
542152
201
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME132580
-
-
453103
174
3-hydroxybutanoic acid
3-Hydroxybutyric acid
ME132579
92135
C01089
278651
191
3-phosphoglycerate
3-Phosphoglyceric acid
ME132578
724
C00197
611619
299
400671 carbohydrate
-
ME132598
-
-
599923
204
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME132577
127
C00642
541685
296
4-hydroxyproline
cis-4-Hydroxyproline
ME132576
-
-
487405
230
5-aminovaleric acid lactame
2-Piperidinone
ME132575
12665
-
275813
170
5-hydroxynorvaline NIST
L-2-Amino-5-hydroxypentanoic acid
ME132574
95562
-
494838
142
5-methoxytryptamine
5-Methoxytryptamine
ME132573
1833
C05659
863982
174
6-deoxyglucitol NIST
6-Deoxyglucitol
ME132572
151266
-
595333
117
715929 carbohydrate
-
ME132597
-
-
947018
204
acetophenone NIST
Acetophenone
ME132571
7410
C07113
238719
105
aconitic acid
cis-Aconitic acid
ME132570
-
-
589666
229
adenosine-5-phosphate
AMP
ME132569
6083
C00020
1039143
169
adipic acid
Adipic acid
ME132568
196
C06104
475399
111
alanine
Alanine
ME132567
5950
C00041
236539
116
allantoic acid
Allantoic acid
ME132566
203
C00499
646921
428
alpha ketoglutaric acid
2-Oxoglutaric acid
ME132565
51
C00026
507734
198
aminomalonic acid
Aminomalonic acid
ME132564
100714
C00872
455266
218
arabinose
Arabinose
ME132563
229
C00259
546892
217
arabitol
Arabitol
ME132562
94154
C01904
572600
307
arachidic acid
Arachidic acid
ME132561
10467
C06425
855930
117
arachidonic acid
Arachidonic acid
ME132560
5312542
-
835751
91
asparagine
Asparagine
ME132559
236
C00152
553698
116
aspartic acid
Aspartic acid
ME132558
5960
C00049
478092
232
azelaic acid
Azelaic acid
ME132557
2266
C08261
610175
317
behenic acid
Behenic acid
ME132556
8215
C08281
919675
132
benzoic acid
Benzoic acid
ME132555
243
C00180
338714
179
benzylalcohol
Benzyl alcohol
ME132554
244
C00556
281338
165
beta-alanine
beta-Alanine
ME132553
239
C00099
435375
248
beta-sitosterol
Sitosterol
ME132552
222284
C01753
1126938
129
butane-2,3-diol (NIST)
2,3-Butanediol
ME132551
262
C03044
204284
117
capric acid
Capric acid
ME132550
2969
C01571
451122
117
caprylic acid
Caprylic acid
ME132549
379
C06423
343899
201
cellobiotol
Cellobiotol
ME132548
160514
-
956355
204
cholesterol
Cholesterol
ME132547
5997
C00187
1075918
129
citric acid
Citric acid
ME132546
311
C00158
617288
273
citrulline
Citrulline
ME132545
9750
C00327
620728
157
conduritol beta expoxide
Conduritol epoxide
ME132544
-
-
704785
318
creatinine
Creatinine
ME132543
-
-
504442
115
cyano-L-alanine
Cyanoalanine
ME132542
13538
C02512
404014
141
cysteine
Cysteine
ME132541
-
-
497030
220
cysteine-glycine
Cys-Gly
ME132540
439498
C01419
715639
220
cystine
Cystine
ME132539
67678
C00491
804143
218
cytidine-5'-diphosphate
CDP
ME132538
290
C00112
861380
217
deoxytetronic acid NIST
-
ME132589
150929
-
390395
117
deoxythreittol NIST
2-Deoxyerythritol
ME132591
18302
-
422939
103
dihydro-3-coumaric acid
3-(3-Hydroxyphenyl)propanoic acid
ME132537
91
C11457
583527
205
dodecanol
Dodecanol
ME132536
8193
C02277
508488
243
erythritol
Erythritol
ME132535
222285
C00503
471274
205
ethanolamine
Ethanolamine
ME132534
700
C00189
340837
174
fructose
Fructose
ME132533
5984
C00095
642325
307
fucose
Fucose
ME132532
94270
C01019
584612
117
fucose + rhamnose
-
ME132531
94270
C01018
577861
117
fumaric acid
Fumaric acid
ME132530
444972
C00122
390988
245
galactonic acid
Galactonic acid
ME132529
128869
C00880
692399
292
galactose-6-phosphate
Galactose 6-phosphate
ME132528
99058
C00446
828457
387
gamma-glutamyl-valine
gamma-Glutamylvaline
ME132527
-
-
761021
345
gamma-tocopherol
gamma-Tocopherol
ME132526
92729
C02483
1026222
223
gluconic acid
Gluconic acid
ME132525
10690
C00257
693140
333
glucose
Glucose
ME132524
107526
C00031
650726
160
glucuronic acid
Glucuronic acid
ME132523
94715
C00191
666401
333
glutamic acid
Glutamic acid
ME132522
33032
C00025
528717
246
glutamine
Glutamine
ME132521
5961
C00064
600452
156
glutaric acid
Glutaric acid
ME132520
743
C00489
422031
158
glyceric acid
Glyceric acid
ME132519
-
-
379389
189
glycerol
Glycerol
ME132518
-
-
346318
205
glycerol-3-galactoside
Galactosylglycerol
ME132517
656504
C05401
803554
204
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME132516
754
C00093
591357
299
glycine
Glycine
ME132515
750
C00037
368041
174
glycolic acid
Glycolic acid
ME132514
757
C00160
227487
177
glyoxalurea NIST
-
ME132513
4157426
-
480421
202
guanosine
Guanosine
ME132512
6802
C00387
955097
324
heptadecanoic acid NIST
Margaric acid
ME132511
10465
-
738392
117
hippuric acid
Hippuric acid
ME132510
-
-
637165
174
histidine
Histidine
ME132509
6274
C00135
663393
154
hydroxylamine
Hydroxylamine
ME132508
787
C00192
250798
146
hypoxanthine
Hypoxanthine
ME132507
790
C00262
618133
265
indole-3-acetate
Indoleacetic acid
ME132506
802
C00954
685195
202
indole-3-lactate
Indolelactic acid
ME132505
92904
C02043
764543
202
inosine
Inosine
ME132504
6021
C00294
897806
230
inosine 5'-monophosphate
IMP
ME132503
-
-
1016825
315
inositol myo-
Myo-inositol
ME132502
-
-
733355
305
inulobiose
Inulobiose
ME132501
439552
C01711
930708
204
isocitric acid
Isocitric acid
ME132500
-
-
617706
245
isoleucine
Isoleucine
ME132499
6306
C00407
359776
158
isolinoleic acid NIST
-
ME132498
3931
-
794629
95
isothreonic acid
D-Threonic acid
ME132497
151152
-
489846
292
kynurenine
Kynurenine
ME132496
161166
C00328
769271
218
lactamide
Lactamide
ME132495
-
-
265523
232
lactic acid
Lactic acid
ME132494
612
C00186
215380
191
lathosterol NIST
Lathosterol
ME132493
65728
C01189
1095135
255
lauric acid
Lauric acid
ME132492
3893
C02679
548310
117
leucine
Leucine
ME132491
-
-
345709
158
levanbiose
Levanbiose
ME132490
439555
C01725
938676
217
levoglucosan
Glucosan
ME132489
2724705
-
569799
204
lignoceric acid
Lignoceric acid
ME132488
11197
C08320
977850
117
linoleic acid
Linoleic acid
ME132487
5280450
C01595
777102
337
linolenic acid
Octadecatrienoic acid
ME132486
5280934
C06427
779785
108
lysine
Lysine
ME132485
5962
C00047
662967
156
lyxose
Lyxose
ME132484
65550
-
540208
217
maleimide
Maleimide
ME132483
10935
C07272
244928
154
malic acid
Malic acid
ME132482
222656
C00149
461034
233
malonic acid
Malonic acid
ME132481
867
C04025
305831
147
maltose
Maltose
ME132480
6255
C01971
946060
361
maltotriose
Maltotriose
ME132479
92146
C01835
1177212
204
mannitol
Mannitol
ME132478
-
-
665530
103
methanolphosphate
Methanolphosphate
ME132477
13130
-
290941
241
methionine
Methionine
ME132476
6137
C00073
483425
176
methionine sulfoxide
Methionine sulfoxide
ME132475
158980
C02989
637775
128
methylhexadecanoic acid
Methylhexadecanoic acid
ME132474
10465
-
750645
117
myristic acid
Myristic acid
ME132473
11005
C06424
634543
285
N-acetylglutamate
N-Acetylglutamic acid
ME132472
70914
C00624
477593
158
N-acetylglycine NIST
N-Acetylglycine
ME132471
10972
-
356109
174
N-acetylmannosamine
N-Acetyl-mannosamine
ME132470
-
-
735289
205
naproxen
Naproxen
ME132468
1302
C01517
736205
185
nicotinic acid
Nicotinic acid
ME132467
-
-
353863
180
N-methylalanine
N-Methylalanine
ME132469
5288725
C02721
286258
130
octadecanol
Stearyl alcohol
ME132466
8221
D01924
755073
327
oleic acid
Oleic acid
ME132465
5282749
C01712
780799
339
ornithine
Ornithine
ME132464
6262
C00077
618525
142
oxalic acid
Oxalic acid
ME132463
971
C00209
259625
147
oxoproline
Oxoproline
ME132462
7405
C01879
489576
156
palmitic acid
Palmitic acid
ME132460
985
C00249
713542
313
palmitoleic acid
Palmitoleic acid
ME132459
445638
C08362
704757
129
parabanic acid NIST
Parabanic acid
ME132458
67126
C00802
464937
100
paracetamol
Acetaminophen
ME132457
1983
C06804
538566
206
p-cresol
P-Cresol
ME132461
-
-
280634
165
pelargonic acid
Pelargonic acid
ME132456
8158
C01601
399163
117
phenylalanine
Phenylalanine
ME132455
6140
C00079
537502
218
phenylethylamine
Phenylethylamine
ME132454
1001
C05332
512521
174
phosphoethanolamine
Phosphoethanolamine
ME132453
1015
C00346
604454
100
pipecolic acid
Pipecolic acid
ME132452
-
-
404019
156
proline
Proline
ME132451
145742
C00148
364232
142
pseudo uridine
Pseudouridine
ME132450
15047
C02067
813744
217
pyrophosphate
Pyrophosphate
ME132449
1023
C0013
327474
110
pyruvic acid
Pyruvic acid
ME132448
-
-
208709
174
quinic acid
Quinic acid
ME132447
6508
C00296
634218
255
ribitol
Ribitol
ME132446
827
C00474
575571
217
saccharic acid
Glucaric acid
ME132445
33037
C00818
699250
333
salicylaldehyde
2-Hydroxybenzaldehyde
ME132444
6998
C06202
406706
193
salicylic acid
Salicylic acid
ME132443
338
C00805
480445
267
serine
Serine
ME132442
5951
C00065
391397
204
shikimic acid
Shikimic acid
ME132441
-
-
609587
204
sorbitol
Sorbitol
ME132440
5780
C00794
669361
319
stearic acid
Stearic acid
ME132439
5281
C01530
787358
117
stigmasterol
Stigmasterol
ME132438
5280794
C05442
1110434
159
succinic acid
Succinic acid
ME132437
-
-
370724
247
sucrose
Sucrose
ME132436
5988
C00089
916949
271
tagatose
D-Tagatose
ME132435
-
-
632392
307
taurine
Taurine
ME132434
1123
C00245
556913
326
threitol
Threitol
ME132433
169019
-
467314
217
threonic acid
Threonic acid
ME132432
439535
C01620
497167
292
threonine
Threonine
ME132431
6288
C00188
410027
117
tocopherol alpha
alpha-Tocopherol
ME132430
14985
C02477
1067178
237
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME132429
5810
C01157
460567
158
trihydroxypyrazine NIST
Trihydroxypyrazine
ME132428
20221599
-
505411
344
tryptophan
Tryptophan
ME132427
6305
C00078
781209
202
tyrosine
Tyrosine
ME132426
6057
C00082
670802
218
urea
Urea
ME132425
-
-
337230
171
uric acid
Uric acid
ME132424
1175
C00366
730534
441
uridine
Uridine
ME132423
6029
C00299
856953
258
valine
Valine
ME132422
6287
C00183
309905
144
xanthine
Xanthine
ME132421
1188
C00385
702391
353
xylitol
Xylitol
ME132420
6912
C00379
566893
217
xylose
Xylose
ME132419
-
-
543056
217
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