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Return to study ST000118 main page
Analysis: GCMS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
stearic acid
Stearic acid
ME681282
5281
C01530
329250
100
gamma-aminobutyric acid
gamma-Aminobutyric acid
ME681401
119
C00334
364801
102
pyrophosphate
Pyrophosphate
ME681349
644102
C00013
327517
110
diacetone alcohol NIST
Diacetone alcohol
ME681405
31256
-
208867
115
alanine
Alanine
ME681376
5950
C00041
244189
116
alanine-alanine
Ala-Ala
ME681389
5484352
C00993
522546
116
6-deoxyglucose
Quinovose
ME681381
441480
C08352
573663
117
arachidic acid
Arachidic acid
ME681335
10467
C06425
856421
117
heptadecanoic acid
Margaric acid
ME681297
10465
-
751309
117
lauric acid
Lauric acid
ME681323
3893
C02679
547906
117
myristic acid
Myristic acid
ME681293
11005
C06424
634414
117
palmitoleic acid
Palmitoleic acid
ME681291
445638
C08362
706508
117
pelargonic acid
Pelargonic acid
ME681289
8158
C01601
399229
117
pentadecanoic acid
Pentadecylic acid
ME681369
13849
C16537
674647
117
cyclohexylamine
Cyclohexylamine
ME681406
7965
C00571
227945
128
1-monopalmitin
MG 16:0/0:0/0:0
ME681340
3084463
C01885
901749
129
1-monostearin
MG 18:0/0:0/0:0
ME681305
24699
D01947
959214
129
oleic acid
Oleic acid
ME681353
445639
C00712
781527
129
N-methylalanine
N-Methylalanine
ME681370
5288725
C02721
286855
130
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME681284
11266
C05984
259826
131
butyrolactam NIST
2-Pyrrolidinone
ME681299
12025
C11118
277199
142
cytidine-5-monophosphate
CMP
ME681365
6131
C00055
849449
142
ornithine 4tms
Ornithine
ME681292
6262
C00077
619548
142
proline
Proline
ME681315
145742
C00148
364716
142
norvaline
Norvaline
ME681395
439575
C01826
326715
144
spermidine
Spermidine
ME681348
1102
C00315
792924
144
valine
Valine
ME681342
6287
C00183
313502
144
hydroxylamine
Hydroxylamine
ME681378
787
C00192
255241
146
phenol
Phenol
ME681377
996
C00146
218927
151
glutamine
Glutamine
ME681326
5961
C00064
600315
156
lysine
Lysine
ME681322
5962
C00047
663483
156
oxoproline
Oxoproline
ME681352
7405
C01879
485935
156
isoleucine
Isoleucine
ME681296
6306
C00407
359251
158
leucine
Leucine
ME681399
6106
C00123
345168
158
N-acetylaspartic acid
N-Acetylaspartic acid
ME681354
65065
C01042
548028
158
norleucine
Norleucine
ME681396
21236
C01933
374120
158
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME681391
93072
C00438
666187
160
phenylacetic acid
Phenylacetic acid
ME681317
999
C07086
368081
164
benzylalcohol
Benzyl alcohol
ME681408
244
C00556
281745
165
p-cresol
P-Cresol
ME681351
2879
C01468
280360
165
adenosine-5-monophosphate
AMP
ME681301
6083
C00020
1038688
169
inosine 5'-monophosphate
IMP
ME681356
8582
C00130
1016811
169
thymidine
Thymidine
ME681307
5789
C00214
349402
170
thymidine-5-phosphate
TMP
ME681347
12803287
C00364
608111
170
xylulose NIST
Xylulose
ME681341
5289590
C00312
553450
173
ethanolamine
Ethanolamine
ME681374
700
C00189
343800
174
O-acetylserine
O-Acetylserine
ME681382
99478
C00979
414914
174
putrescine
Putrescine
ME681350
1045
C00138
588119
174
pyruvic acid
Pyruvic acid
ME681313
1060
C00022
211668
174
ethylsuccinate NIST
-
ME681402
70610
-
333854
175
methionine
Methionine
ME681321
6137
C00073
483560
176
glycolic acid
Glycolic acid
ME681298
757
C00160
227636
177
propane-1,3-diol NIST
Propane-1,3-diol
ME681314
10442
C02457
214380
177
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME681409
127
C00642
542795
179
benzoic acid
Benzoic acid
ME681300
243
C00180
339067
179
nicotinamide
Niacinamide
ME681367
936
C00153
471602
179
nicotinic acid
Nicotinic acid
ME681383
938
C00253
366992
180
octanol NIST
n-Octanol
ME681394
-
-
247010
187
glyceric acid
Glyceric acid
ME681360
439194
C00258
377495
189
oxalic acid
Oxalic acid
ME681319
971
C00209
260513
190
lactic acid
Lactic acid
ME681295
107689
C01432
217657
191
mannose
Mannose
ME681283
18950
C00159
508594
198
dodecanoic acid, isopropanol ester NIST
-
ME681404
-
-
536494
200
tryptophan
Tryptophan
ME681306
6305
C00078
780482
202
levoglucosan
Glucosan
ME681355
2724705
-
569637
204
maltose
Maltose
ME681398
439186
C00208
954710
204
methyl O-D-galactopyranoside
Methyl beta-D-galactoside
ME681397
94214
C03619
630836
204
shikimic acid
Shikimic acid
ME681311
8742
C00493
611100
204
ethanol phosphate NIST
Ethylphosphate
ME681403
-
-
317291
211
glutathione
Glutathione
ME681387
124886
C00051
761296
213
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME681339
64960
C07326
633969
217
glucose-1-phosphate
Glucose 1-phosphate
ME681362
65533
C00103
594647
217
ribose
Ribose
ME681312
5779
C00121
553135
217
UDP-glucuronic acid
UDP-glucuronic acid
ME681345
17473
C00167
587601
217
aminomalonate
Aminomalonic acid
ME681336
100714
C00872
455754
218
homoserine
Homoserine
ME681359
12647
C00263
443878
218
phenylalanine
Phenylalanine
ME681316
6140
C00079
537804
218
serine
Serine
ME681288
5951
C00065
395020
218
threonine
Threonine
ME681308
6288
C00188
409568
218
tyrosine
Tyrosine
ME681287
6057
C00082
671252
218
cysteine
Cysteine
ME681330
594
C00097
500158
220
cysteine-glycine
Cys-Gly
ME681329
439498
C01419
715335
220
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME681410
135
C00156
537925
223
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME681344
445675
C00043
625003
226
3-phosphoglycerate
3-Phosphoglyceric acid
ME681337
724
C00597
610734
227
capric acid
Capric acid
ME681332
2969
C01571
451790
229
inosine
Inosine
ME681357
6021
C00294
897434
230
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME681412
16069996
C06474
588886
231
aspartic acid
Aspartic acid
ME681334
5960
C00049
480387
232
3-hydroxypalmitic acid
3R-Hydroxypalmitic acid
ME681413
15569776
-
774930
233
malic acid
Malic acid
ME681294
222656
C00711
463180
233
adenosine
Adenosine
ME681302
60961
C00212
918039
236
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME681304
23368901
-
397526
241
uracil
Uracil
ME681343
1174
C00106
385735
241
fumaric acid
Fumaric acid
ME681388
444972
C00122
392338
245
glutamic acid
Glutamic acid
ME681361
33032
C00025
529100
246
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME681338
43
C02630
506306
247
citramalic acid
Citramalic acid
ME681375
1081
C00815
456203
247
succinic acid
Succinic acid
ME681310
1110
C00042
370608
247
beta-alanine
beta-Alanine
ME681333
239
C00099
435564
248
glycine
Glycine
ME681325
750
C00037
368707
248
orotic acid
Orotic acid
ME681320
967
C00295
586317
254
thymine
Thymine
ME681346
1135
C00178
420133
255
adenine
Adenine
ME681303
190
C00147
646534
264
hypoxanthine
Hypoxanthine
ME681358
790
C00262
619128
265
sucrose
Sucrose
ME681309
5988
C00089
915139
271
citric acid
Citric acid
ME681331
311
C00158
617342
273
2-isopropylmalic acid
2-Isopropylmalic acid
ME681390
5280523
C02504
508690
275
hydroxycarbamate NIST
Hydroxycarbamic acid
ME681324
16639161
-
325948
278
pantothenic acid
Pantothenic acid
ME681290
988
C12276
690887
291
bisphosphoglycerol NIST
-
ME681407
102018
-
764660
299
phosphoethanolamine
Phosphoethanolamine
ME681366
1015
C00346
604335
299
4-aminobutyric acid
4-Aminopentanoic acid
ME681411
119
C00334
488730
304
fructose
Fructose
ME681328
5984
C02336
639442
307
xylose
Xylose
ME681285
135191
C00181
546699
307
palmitic acid
Palmitic acid
ME681318
985
C00249
713809
313
phosphate
Phosphoric acid
ME681393
1004
C00009
348274
314
fructose-6-phosphate
Fructose 6-phosphate
ME681380
69507
C05345
804279
315
ribose-5-phosphate
Ribose 5-phosphate
ME681392
439167
C00117
731096
315
glucose
Glucose
ME681363
5793
C00221
659798
319
hexose
Hexose
ME681400
206
C00738
642640
319
guanosine
Guanosine
ME681385
6802
C00387
957445
324
gluconic acid
Gluconic acid
ME681327
10690
C00800
693148
333
guanine
Guanine
ME681372
764
C00242
744307
352
xanthine
Xanthine
ME681286
1188
C00385
701688
353
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME681386
754
C03189
593299
357
maltotriose
Maltotriose
ME681371
439586
C01835
1176044
361
fructose-1-phosphate
Fructose 1-phosphate
ME681364
481
C01094
803180
387
galactose-6-phosphate
Galactose 6-phosphate
ME681379
3034794
C01113
828102
387
glucose-6-phosphate
Glucose 6-phosphate
ME681373
5958
C01172
810287
387
hexose-6-phosphate
Hexose 6-phosphate
ME681368
208
C02965
806282
387
mannose-6-phosphate NIST
Mannose 6-phosphate
ME681384
65127
C00275
822643
387
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