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Return to study ST000002 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
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME641272
43
C02630
506359
129
alpha ketoglutaric acid
2-Oxoglutaric acid
ME641285
51
C00026
507734
198
2-ketoisocaproic acid
Ketoleucine
ME641273
70
C00233
310629
200
hydrocinnamic acid
Hydrocinnamic acid
ME641338
107
C05629
435417
104
GABA
gamma-Aminobutyric acid
ME641317
119
C00334
488961
174
5-aminovaleric acid
5-Aminopentanoic acid
ME641280
138
C00431
536304
174
adipic acid
Adipic acid
ME641283
196
C06104
475399
111
beta-alanine
beta-Alanine
ME641297
239
C00099
431950
248
benzoic acid
Benzoic acid
ME641295
243
C00180
338043
179
benzylalcohol
Benzyl alcohol
ME641296
244
C00556
281322
165
citric acid
Citric acid
ME641303
311
C00158
617288
273
3-hydroxybutanoic acid
3-Hydroxybutyric acid
ME641277
441
C05984
278929
191
sorbitol
Sorbitol
ME641390
453
C00794
667682
103
creatinine
Creatinine
ME641305
588
C00791
502434
115
cysteine
Cysteine
ME641307
594
C00097
501345
220
cystine
Cystine
ME641308
595
C00491
804143
218
ethanolamine
Ethanolamine
ME641312
700
C00189
345242
174
glutaric acid
Glutaric acid
ME641326
743
C00489
422031
158
glycine
Glycine
ME641331
750
C00037
368041
174
glycerol
Glycerol
ME641328
753
C00116
344223
205
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME641330
754
C03189
591357
299
glycolic acid
Glycolic acid
ME641332
757
C00160
227487
177
guanine
Guanine
ME641334
764
C00242
744497
352
hydroxylamine
Hydroxylamine
ME641340
787
C00192
255313
146
indole-3-acetate
Indoleacetic acid
ME641342
802
C00954
685195
202
arabitol
Arabitol
ME641288
827
C01904
566749
103
methionine sulfoxide
Methionine sulfoxide
ME641364
847
C02989
637775
128
lanosterol
Lanosterol
ME641351
856
C01724
1128745
109
inositol myo-
Myo-inositol
ME641345
892
C00137
729867
305
naphtalene
Naphthalene
ME641368
931
C00829
315496
128
elaidic acid
Elaidic acid
ME641310
965
C01712
780799
339
orotic acid
Orotic acid
ME641374
967
C00295
584723
254
palmitic acid
Palmitic acid
ME641377
985
C00249
713542
313
phosphoric acid
Phosphoric acid
ME641382
1004
C00009
344674
299
putrescine
Putrescine
ME641384
1045
C00134
587728
174
pyruvate
Pyruvic acid
ME641385
1060
C00022
211146
174
spermidine
Spermidine
ME641391
1102
C00315
792258
144
succinic acid
Succinic acid
ME641393
1110
C00042
370518
147
taurine
Taurine
ME641395
1123
C00245
557250
326
uracil
Uracil
ME641404
1174
C00106
385903
99
uric acid
Uric acid
ME641406
1175
C00366
731185
441
urea
Urea
ME641405
1176
C00086
328046
171
xanthine
Xanthine
ME641409
1188
C00385
702391
353
acetohydroxamic acid
Acetohydroxamic acid
ME641281
1990
C06808
222307
190
3-phenyllactic acid
Phenyllactic acid
ME641279
3848
C05607
516416
193
lauric acid
Lauric acid
ME641352
3893
C02679
547810
117
isolinoleic acid NIST
-
ME641348
3931
-
794629
95
stearic acid
Stearic acid
ME641392
5281
C01530
787358
117
tyramine
Tyramine
ME641402
5610
C00483
664065
174
ribose
Ribose
ME641387
5779
C00121
553411
307
glucose
Glucose
ME641322
5793
C00031
649920
160
alanine
Alanine
ME641284
5950
C00041
243537
116
serine
Serine
ME641388
5951
C00065
394656
204
aspartic acid
Aspartic acid
ME641293
5960
C00049
480543
232
glutamine
Glutamine
ME641325
5961
C00064
600452
156
lysine
Lysine
ME641358
5962
C00047
663088
156
fructose
Fructose
ME641313
5984
C00095
638631
307
sucrose
Sucrose
ME641394
5988
C00089
915457
271
cholesterol
Cholesterol
ME641302
5997
C00187
1077630
129
inosine
Inosine
ME641344
6021
C00294
897806
217
uridine
Uridine
ME641407
6029
C00299
856953
258
galactose
Galactose
ME641318
6036
C00124
647787
160
tyrosine
Tyrosine
ME641403
6057
C00082
671085
218
leucine
Leucine
ME641353
6106
C00123
345953
158
methionine
Methionine
ME641363
6137
C00073
483425
176
phenylalanine
Phenylalanine
ME641381
6140
C00079
537760
218
ornithine
Ornithine
ME641373
6262
C00077
527822
142
asparagine
Asparagine
ME641292
6267
C00152
553791
116
valine
Valine
ME641408
6287
C00183
313224
144
threonine
Threonine
ME641398
6288
C00188
409403
117
tryptophan
Tryptophan
ME641401
6305
C00078
779834
202
isoleucine
Isoleucine
ME641347
6306
C00407
358756
158
arginine + ornithine
Arginine
ME641291
6322
C00062
619420
142
inositol-4-monophosphate
Inositol 4-phosphate
ME641346
6349
C03546
845491
318
guanosine
Guanosine
ME641335
6802
C00387
955097
324
ribitol
Ribitol
ME641386
6912
C00474
572822
217
oxoproline
Oxoproline
ME641375
7405
C01879
486399
156
acetophenone NIST
Acetophenone
ME641282
7410
C07113
238719
105
trehalose
Trehalose
ME641400
7427
C01083
947837
191
pelargonic acid
Pelargonic acid
ME641379
8158
C01601
399163
117
behenic acid
Behenic acid
ME641294
8215
C08281
919675
117
octadecanol
Stearyl alcohol
ME641371
8221
D01924
755073
327
shikimic acid
Shikimic acid
ME641389
8742
C00493
610984
204
citrulline
Citrulline
ME641304
9750
C00327
622791
256
heptadecanoic acid
Margaric acid
ME641336
10465
-
750645
117
arachidic acid
Arachidic acid
ME641289
10467
C06425
856203
117
cerotic acid
Cerotic acid
ME641301
10469
-
1032431
117
gluconic acid
Gluconic acid
ME641321
10690
C00257
693140
333
maleimide
Maleimide
ME641361
10935
C07272
244928
154
myristic acid
Myristic acid
ME641367
11005
C06424
634543
285
lignoceric acid
Lignoceric acid
ME641356
11197
C08320
977850
117
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME641271
11266
C05984
258175
131
nonadecanoic acid
Nonadecylic acid
ME641370
12591
C16535
822744
117
homoserine
Homoserine
ME641337
12647
C00263
444264
128
methanolphosphate
Methanolphosphate
ME641362
13130
-
290941
241
cyano-L-alanine
Cyanoalanine
ME641306
13538
C02512
404014
141
pentadecanoic acid
Pentadecylic acid
ME641380
13849
C16537
674704
132
monopalmitin-1-glyceride
MG 16:0/0:0/0:0
ME641366
14900
-
901207
371
tocopherol
alpha-Tocopherol
ME641399
14985
C02477
1067178
237
fucose 1 + rhamnose 2
D-Fucose
ME641314
19466
C01018
577861
117
beta-sitosterol
Sitosterol
ME641299
22012
C01753
1129771
129
glutamic acid
Glutamic acid
ME641324
33032
C00025
529370
246
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME641276
64956
C01205
309799
102
3-hydroxypropionic acid
Hydroxypropionic acid
ME641278
68152
C01013
269975
177
galacturonic acid
Galacturonic acid
ME641319
84740
C00333
670193
160
gamma-tocopherol
gamma-Tocopherol
ME641320
92729
C02483
1026222
223
indole-3-lactate
Indolelactic acid
ME641343
92904
C02043
764543
202
lyxitol
L-Arabitol
ME641359
94154
C00532
575571
217
fucose 2
Fucose
ME641315
94270
C01019
584612
117
glucuronic acid
Glucuronic acid
ME641323
94715
C00191
666743
333
aminomalonate
Aminomalonic acid
ME641286
100714
C00872
455886
218
1-monostearin
MG 18:0/0:0/0:0
ME641270
107036
D01947
959625
399
lactic acid
Lactic acid
ME641350
107689
C00186
216442
117
xylose
Xylose
ME641410
135191
C00181
542808
103
proline
Proline
ME641383
145742
C00148
364232
142
isothreonic acid
D-Threonic acid
ME641349
151152
C01620
489846
292
threonic acid
Threonic acid
ME641397
151152
C01620
497167
292
threitol
Threitol
ME641396
169019
C16884
467314
217
beta-gentiobiose
beta-Gentiobiose
ME641298
219994
C08240
967919
204
erythritol
Erythritol
ME641311
222285
C00503
471274
205
malate
Malic acid
ME641360
222656
C00149
462908
233
dihydroabietic acid
Dihydroabietic acid
ME641309
227277
-
849610
239
glyceric acid
Glyceric acid
ME641327
439194
C00258
377001
189
levanbiose
Levanbiose
ME641354
439555
C01725
938676
217
arachidonic acid
Arachidonic acid
ME641290
444899
C00219
833292
91
fumaric acid
Fumaric acid
ME641316
444972
C00122
390708
245
palmitoleic acid
Palmitoleic acid
ME641378
445638
C08362
706298
129
oleic acid
Oleic acid
ME641372
445639
C01712
778858
339
glycerol-3-galactoside NIST
Galactosylglycerol
ME641329
656504
C05401
803554
204
caffeic acid
Caffeic acid
ME641300
1549111
C01481
748306
219
levoglucosan
Glucosan
ME641355
2724705
-
569799
204
glycyl proline
Gly-Pro
ME641333
3013625
-
692401
174
2-monopalmitin
MG 0:0/16:0/0:0
ME641274
3084463
-
889972
218
palatinose
Palatinose
ME641376
4177368
C01742
976650
217
linoleic acid
Linoleic acid
ME641357
5280450
C01595
777102
337
icosenoic acid
cis-Gondoic acid
ME641341
5282768
-
848697
129
N-methylalanine
N-Methylalanine
ME641369
5288725
C02721
286258
130
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME641269
5319879
-
952993
129
arabinose
Arabinose
ME641287
7044039
C00216
546892
217
hydroxycarbamate NIST
Hydroxycarbamic acid
ME641339
16639161
-
325357
278
2-monostearin NIST
-
ME641275
-
-
948845
218
monomyristin NIST
MG 14:0
ME641365
-
-
838323
343
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