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Return to study ST002012 main page
Analysis: GC UNSPECIFIED 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
ME465728
43
C02630
-
247
alpha-ketoglutarate
2-Oxoglutaric acid
ME465700
51
C00026
-
198
2-ketoisocaproic acid
Ketoleucine
ME465724
70
C00233
-
89
2-ketoadipic acid
Oxoadipic acid
ME465726
71
C00322
-
100
3,4-dihydroxybenzoic acid
Protocatechuic acid
ME465721
72
C00230
-
193
4-aminobutyric acid
4-Aminopentanoic acid
ME465714
119
C00334
-
304
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME465713
135
C00156
-
223
adenine
Adenine
ME465707
190
C00147
-
264
adipic acid
Adipic acid
ME465705
196
C06104
-
111
agmatine
Agmatine
ME465704
199
C00179
-
314
allantoic acid
Allantoic acid
ME465702
203
C00499
-
331
pentose
Galacturonic acid
ME465579
229
-
-
103
beta-alanine
beta-Alanine
ME465693
239
C00099
-
248
cadaverine
Cadaverine
ME465684
273
-
-
174
citric acid
Citric acid
ME465679
311
C00158
-
273
salicylic acid
Salicylic acid
ME465561
338
C00805
-
267
1,3-diaminopropane
1,3-Diaminopropane
ME465736
428
C00986
-
174
malic acid
Malic acid
ME465606
525
C00711
-
233
lactic acid
Lactic acid
ME465621
612
C01432
-
191
dihydroxyacetone
Dihydroxyacetone
ME465672
670
C00184
-
89
ethanolamine
Ethanolamine
ME465665
700
C00189
-
174
glutaric acid
Glutaric acid
ME465646
743
C00489
-
261
glycine
Glycine
ME465641
750
C00037
-
248
glyceric acid
Glyceric acid
ME465645
752
C00258
-
189
glycerol
Glycerol
ME465644
753
C00116
-
205
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME465642
754
C03189
-
357
glycolic acid
Glycolic acid
ME465640
757
C00160
-
177
guanine
Guanine
ME465637
764
C00242
-
352
hydroquinone
Hydroquinone
ME465631
785
C00530
-
239
hypoxanthine
Hypoxanthine
ME465629
790
C00262
-
265
pentitol
Arabitol
ME465580
827
D00061
-
307
ribitol
Ribitol
ME465566
827
C00474
-
217
malonic acid
Malonic acid
ME465605
867
C00383
-
233
myo-inositol
Myo-inositol
ME465596
892
C00137
-
305
nicotinamide
Niacinamide
ME465590
936
C00153
-
179
nicotinic acid
Nicotinic acid
ME465589
938
C00253
-
180
palmitic acid
Palmitic acid
ME465583
985
C00249
-
313
phenylethylamine
Phenylethylamine
ME465577
1001
C05332
-
174
phosphate
Phosphoric acid
ME465576
1004
C00009
-
314
phosphoethanolamine
Phosphoethanolamine
ME465575
1015
C00346
-
299
2-picolinic acid
Picolinic acid
ME465722
1018
C10164
-
180
pyrophosphate
Pyrophosphate
ME465568
1023
C00013
-
110
putrescine
Putrescine
ME465569
1045
C00138
-
174
citramalic acid
Citramalic acid
ME465680
1081
C00815
-
247
spermidine
Spermidine
ME465555
1102
C00315
-
144
spermine
Spermine
ME465554
1103
C00750
-
116
succinic acid
Succinic acid
ME465552
1110
C00042
-
247
uracil
Uracil
ME465536
1174
C00106
-
241
uric acid
Uric acid
ME465534
1175
C00366
-
441
urea
Urea
ME465535
1176
C00086
-
189
3-hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME465718
1662
C03761
-
247
1-methylgalactose
-
ME465735
2108
-
-
204
beta-glycerolphosphate
sn-Glycero-2-phosphate
ME465691
2526
C02979
-
243
lauric acid
Lauric acid
ME465617
3893
C02679
-
117
tyramine
Tyramine
ME465540
5610
C00483
-
174
ribose
Ribose
ME465564
5779
C00121
-
217
sorbitol
Sorbitol
ME465556
5780
C00794
-
217
thymidine
Thymidine
ME465546
5789
C00214
-
170
alanine
Alanine
ME465703
5950
C00041
-
116
serine
Serine
ME465559
5951
C00065
-
204
glucose-6-phosphate
Glucose 6-phosphate
ME465650
5958
C00092
-
387
aspartic acid
Aspartic acid
ME465695
5960
C00049
-
232
glutamine
Glutamine
ME465647
5961
C00064
-
156
lysine
Lysine
ME465610
5962
C00047
-
317
sucrose
Sucrose
ME465551
5988
C00089
-
271
cholesterol
Cholesterol
ME465682
5997
C00187
-
129
uridine
Uridine
ME465533
6029
C00299
-
217
tyrosine
Tyrosine
ME465539
6057
C00082
-
218
leucine
Leucine
ME465616
6106
C00123
-
158
methionine
Methionine
ME465601
6137
C00073
-
176
phenylalanine
Phenylalanine
ME465578
6140
C00079
-
192
ornithine
Ornithine
ME465585
6262
C00077
-
142
asparagine
Asparagine
ME465696
6267
C00152
-
231
valine
Valine
ME465532
6287
C00183
-
144
threonine
Threonine
ME465547
6288
C00188
-
218
tryptophan
Tryptophan
ME465541
6305
C00078
-
202
isoleucine
Isoleucine
ME465625
6306
C00407
-
158
guanosine
Guanosine
ME465636
6802
C00387
-
324
gluconic acid lactone
Gluconolactone
ME465653
7027
C00198
-
220
biphenyl
Biphenyl
ME465688
7095
C06588
-
154
lactobionic acid
Lactobionic acid
ME465619
7314
C04247
-
204
oxoproline
Oxoproline
ME465584
7405
-
-
156
trehalose
Trehalose
ME465543
7427
C01083
-
191
butylamine
Butylamine
ME465686
8007
C18706
-
174
N-methylethanolamine
-
ME465588
8016
-
-
116
pelargonic acid
Pelargonic acid
ME465581
8158
C01601
-
215
shikimic acid
Shikimic acid
ME465558
8742
C00493
-
204
citrulline
Citrulline
ME465678
9750
C00327
-
157
homocystine
DL-Homocystine
ME465634
10010
C01817
-
128
xylonic acid isomer
Xylonic acid
ME465530
10264
C02341
-
189
tyrosol
Tyrosol
ME465538
10393
C06044
-
179
4-hydroxybutyric acid
4-Hydroxybutyric acid
ME465712
10413
C00989
-
233
heptadecanoic acid
Margaric acid
ME465635
10465
-
-
117
cerotinic acid
Cerotic acid
ME465683
10469
-
-
145
1,2,4-benzenetriol
1,2,4-Trihydroxybenzene
ME465737
10787
C02814
-
239
maleimide
Maleimide
ME465607
10935
C07272
-
154
myristic acid
Myristic acid
ME465595
11005
C06424
-
285
lignoceric acid
Lignoceric acid
ME465614
11197
C08320
-
132
butyrolactam
2-Pyrrolidinone
ME465685
12025
-
-
142
ecosanol
Arachidyl alcohol
ME465670
12404
-
-
103
tetracosane
Lignocerane
ME465549
12592
-
-
85
homoserine
Homoserine
ME465632
12647
C00263
-
218
methanolphosphate
Methanolphosphate
ME465602
13130
-
-
241
1-monopalmitin
MG 16:0/0:0/0:0
ME465733
14900
-
-
371
tocopherol alpha-
alpha-Tocopherol
ME465545
14985
C02477
-
237
pseudo uridine
Pseudouridine
ME465570
15047
C02067
-
217
1-monostearin
MG 18:0/0:0/0:0
ME465732
24699
D01947
-
203
2,3-dihydroxypyridine
2,3-Dihydroxypyridine
ME465730
28115
-
-
240
glutamic acid
Glutamic acid
ME465648
33032
C00025
-
246
saccharic acid
Glucaric acid
ME465562
33037
C00818
-
333
adenosine
Adenosine
ME465706
60961
C00212
-
236
glucose
Glucose
ME465652
64689
C00221
-
319
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME465720
64956
C05145
-
248
glucose-1-phosphate
Glucose 1-phosphate
ME465651
65533
C00103
-
217
3-hydroxypropionic acid
Hydroxypropionic acid
ME465717
68152
C01013
-
177
dihydroxymalonic acid
-
ME465671
68412
-
-
307
triacontanol
-
ME465542
68972
-
-
496
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME465701
92136
C00956
-
260
tocopherol gamma-
gamma-Tocopherol
ME465544
92729
C02483
-
223
4',5-dihydroxy-7-glucosyloxyflavanone
Naringenin 7-O-beta-D-glucoside
ME465716
92794
C09099
-
169
glycyl tyrosine
Gly-Tyr
ME465639
92829
-
-
174
arabitol
Arabitol
ME465698
94154
C01904
-
103
methyl O-D-galactopyranoside
Methyl beta-D-galactoside
ME465599
94214
C03619
-
204
glucuronic acid
Glucuronic acid
ME465649
94715
C00191
-
333
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME465727
98009
-
-
131
O-acetylserine
O-Acetylserine
ME465587
99478
C00979
-
174
aminomalonate
Aminomalonic acid
ME465699
100714
C00872
-
218
hypotaurine
Hypotaurine
ME465630
107812
C00519
-
188
galactonic acid
Galactonic acid
ME465658
128869
C00880
-
292
biuret
Biuret
ME465687
134490
C03283
-
171
3-Aminopiperidine-2,6-dione
Pyroglutamine
ME465719
134508
-
-
156
xylose
Xylose
ME465528
135191
C00181
-
103
proline
Proline
ME465572
145742
C00148
-
142
isothreonic acid
D-Threonic acid
ME465622
151152
C00639
-
292
6-deoxyglucitol
6-Deoxyglucitol
ME465710
151266
-
-
117
lactitol
Lactitol
ME465620
157355
C13542
-
361
2-ketoglucose dimethylacetal
D-Glucosone
ME465725
159630
-
-
234
beta-sitosterol
Sitosterol
ME465689
222284
C01753
-
129
erythritol
Erythritol
ME465669
222285
C00503
-
217
2,3-dihydroxybutanoic acid
2,3-Dihydroxybutanoic acid
ME465731
250402
-
-
292
propyleneglycol
Propylene glycol
ME465571
259994
-
-
117
ribose-5-phosphate
Ribose 5-phosphate
ME465563
439167
C00117
-
315
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME465711
439176
C00170
-
236
maltose
Maltose
ME465604
439186
C00208
-
204
isomaltose
Isomaltose
ME465624
439193
C00252
-
160
xylulose
Xylulose
ME465527
439205
C00312
-
173
raffinose
Raffinose
ME465567
439242
C00492
-
361
lyxitol
L-Arabitol
ME465609
439255
C00532
-
217
N-acetylmannosamine
N-Acetyl-mannosamine
ME465593
439281
C00645
-
319
tagatose
D-Tagatose
ME465550
439312
C00795
-
307
galactose-6-phosphate
Galactose 6-phosphate
ME465657
439404
C01113
-
387
erythrose
Erythrose
ME465666
439574
C01796
-
205
fucose
Fucose
ME465661
439650
C02095
-
160
xylonolactone
D-Xylono-1,5-lactone
ME465529
439692
C02266
-
217
fructose
Fructose
ME465663
439709
C02336
-
307
inositol-4-monophosphate
Inositol 4-phosphate
ME465627
440043
C03546
-
315
N-acetyl-D-galactosamine
N-Acetylgalactosamine
ME465594
440552
C05021
-
319
fructose-6-phosphate
Fructose 6-phosphate
ME465662
440641
C05345
-
315
melibiose
Melibiose
ME465603
440658
C05402
-
361
dehydroascorbic acid
Dehydroascorbic acid
ME465673
440667
C05422
-
173
lactose
Lactose
ME465618
440995
C00243
-
191
beta-gentiobiose
beta-Gentiobiose
ME465692
441422
C08240
-
160
galacturonic acid
Galacturonic acid
ME465656
441476
C08348
-
333
6-deoxyglucose
Quinovose
ME465709
441480
C08352
-
117
neohesperidin
-
ME465592
442439
-
-
273
maleic acid
Maleic acid
ME465608
444266
-
-
245
fumaric acid
Fumaric acid
ME465660
444972
C00122
-
245
palmitoleic acid
Palmitoleic acid
ME465582
445638
C08362
-
311
oleic acid
Oleic acid
ME465586
445639
C00712
-
339
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME465537
445675
C00043
-
226
ferulic acid
trans-Ferulic acid
ME465664
445858
C01494
-
338
sinapinic acid
Sinapic acid
ME465557
637775
C00482
-
338
aconitic acid
cis-Aconitic acid
ME465708
643757
C00417
-
229
methylmaleic acid
Citraconic acid
ME465598
643798
C02226
-
259
cis-sinapinic acid
cis-Sinapic acid
ME465681
1549091
C00482
-
338
levoglucosan
Glucosan
ME465615
2724705
-
-
204
erythronic acid
Erythronic acid
ME465668
2781043
-
-
217
glycyl-proline
Gly-Pro
ME465638
3013625
-
-
174
mucic acid
Galactaric acid
ME465597
3037582
C00879
-
333
coniferin
Coniferin
ME465676
5280372
C00761
-
324
phytol
Phytol
ME465574
5280435
C01389
-
143
linoleic acid
Linoleic acid
ME465613
5280450
C01595
-
337
scopoletin
Scopoletin
ME465560
5280460
C01752
-
234
stigmasterol
Stigmasterol
ME465553
5280794
C05442
-
255
linolenic acid
Octadecatrienoic acid
ME465611
5280934
C06427
-
108
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME465734
5283468
-
-
129
linoleic acid methyl ester
-
ME465612
5284421
-
-
93
isocitric acid
Isocitric acid
ME465626
5318532
C00451
-
245
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME465723
5319879
-
-
129
erythronic acid lactone isomer
Erythrono-1,4-lactone
ME465667
5325915
C02341
-
247
glucoheptulose
Glucoheptulose
ME465655
5459879
C02076
-
217
beta-mannosylglycerate
-
ME465690
5460194
C11544
-
204
threonic acid
Threonic acid
ME465548
5460407
C01620
-
292
ribonic acid
Ribonic acid
ME465565
5460677
C01685
-
292
xylonic acid
Xylonic acid
ME465531
6602431
C00502
-
333
gluconic acid
Gluconic acid
ME465654
6857417
C00800
-
333
pipecolinic acid
Pipecolic acid
ME465573
6931662
-
-
156
ile-ile
Ile-Ile
ME465628
7010568
C12H24N2O3
-
158
4-aminobenzoic acid
p-Aminobenzoic acid
ME465715
7057990
C00568
-
266
nicotianamine
(R,S,S)-Nicotianamine
ME465591
9882882
C05324
-
186
homoglutamine
Homoglutamine
ME465633
9905942
-
-
170
conduritol-beta-expoxide
Conduritol epoxide
ME465677
9989541
-
-
318
methionine sulfoxide
Methionine sulfoxide
ME465600
10062737
C15998
-
128
isoribose
D-Ribopyranose
ME465623
10975657
-
-
217
galactinol
Galactinol
ME465659
11727586
C01235
-
204
glycerol-3-galactoside
Galactosylglycerol
ME465643
16048618
C05401
-
204
cyanoalanine
Cyanoalanine
ME465675
18647689
-
-
141
azelaic acid
Azelaic acid
ME465694
19347555
C08261
-
317
2,5-dihydroxypyrazine
2,5-Dihydroxypyrazine
ME465729
23368901
-
-
241
ascorbic acid
Vitamin C
ME465697
54670067
C00072
-
332
cytidine
Cytidine
ME465674
-
-
-
223
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