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Return to study ST001809 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
parabanic acid NIST
Parabanic acid
ME418456
67126
C00802
-
100
xylose
Xylose
ME418407
135191
C00181
-
103
linolenic acid
Octadecatrienoic acid
ME418487
5280934
C06427
-
108
pyrophosphate
Pyrophosphate
ME418445
1023
C00013
-
110
adipic acid
Adipic acid
ME418574
196
C06104
-
111
creatinine
Creatinine
ME418547
588
C00791
-
115
alanine
Alanine
ME418573
5950
C00041
-
116
6-deoxyglucose
Quinovose
ME418579
441480
C08352
-
117
9-myristoleate
Myristoleic acid
ME418578
-
-
-
117
arachidic acid
Arachidic acid
ME418566
10467
C06425
-
117
behenic acid
Behenic acid
ME418561
8215
C08281
-
117
fucose
Fucose
ME418537
439650
C02095
-
117
heptadecanoic acid
Margaric acid
ME418515
10465
-
-
117
lauric acid
Lauric acid
ME418491
3893
C02679
-
117
pelargonic acid
Pelargonic acid
ME418455
8158
C01601
-
117
stearic acid
Stearic acid
ME418433
5281
C01530
-
117
methionine sulfoxide
Methionine sulfoxide
ME418476
158980
C02989
-
128
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME418598
5283468
-
-
129
1-monopalmitin
MG 16:0/0:0/0:0
ME418597
14900
C01885
-
129
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME418586
5319879
-
-
129
beta-sitosterol
Sitosterol
ME418557
222284
C01753
-
129
cholesterol
Cholesterol
ME418553
5997
C00187
-
129
2-aminobutyric acid
2-Aminobutyric acid
ME418594
6657
C02721
-
130
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME418592
440864
C05984
-
131
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME418589
98009
-
-
131
ornithine 3TMS
Ornithine
ME418463
6262
C00077
-
142
proline
Proline
ME418449
145742
C00148
-
142
oleamide NIST
Oleamide
ME418465
5283387
C19670
-
144
valine
Valine
ME418413
6287
C00183
-
144
hydroxylamine
Hydroxylamine
ME418507
787
C00192
-
146
itaconic acid
Itaconic acid
ME418494
811
C00490
-
147
linoleic acid
Linoleic acid
ME418488
5280450
C01595
-
150
histidine
Histidine
ME418511
6274
C00135
-
154
maleimide
Maleimide
ME418484
10935
C07272
-
154
glutamine
Glutamine
ME418527
5961
C00064
-
156
lysine
Lysine
ME418486
5962
C00047
-
156
oxoproline
Oxoproline
ME418461
7405
C01879
-
156
pipecolinic acid
Pipecolic acid
ME418450
6931662
-
-
156
citrulline
Citrulline
ME418549
9750
C00327
-
157
isoleucine
Isoleucine
ME418497
6306
C00407
-
158
leucine
Leucine
ME418490
6106
C00123
-
158
N-acetylaspartic acid
N-Acetylaspartic acid
ME418473
65065
C01042
-
158
trans-4-hydroxy-L-proline
trans-4-Hydroxyproline
ME418423
5810
C01157
-
158
2-hydroxyhexanoic acid
2-Hydroxyhexanoic acid
ME418590
99824
-
-
159
isomaltose
Isomaltose
ME418496
439193
C00252
-
160
adenosine-5-monophosphate
AMP
ME418575
6083
C00020
-
169
inosine 5'-monophosphate
IMP
ME418501
8582
C00130
-
169
dehydroascorbic acid
L-Dehydroascorbic acid
ME418543
440667
C05422
-
173
5-methoxytryptamine
5-Methoxytryptamine
ME418580
1833
C05659
-
174
butylamine
Butylamine
ME418556
8007
C18706
-
174
ethanolamine
Ethanolamine
ME418540
700
C00189
-
174
glycyl proline
Gly-Pro
ME418518
3013625
-
-
174
N-acetylglycine NIST
N-Acetylglycine
ME418469
10972
-
-
174
putrescine
Putrescine
ME418446
1045
C00138
-
174
pyruvic acid
Pyruvic acid
ME418444
1060
C00022
-
174
methionine
Methionine
ME418477
6137
C00073
-
176
glycolic acid
Glycolic acid
ME418519
757
C00160
-
177
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME418582
127
C00642
-
179
benzoic acid
Benzoic acid
ME418560
243
C00180
-
179
nicotinamide
Niacinamide
ME418467
936
C00153
-
179
p-tolyl glucuronide
P-Cresol glucuronide
ME418447
154035
-
-
180
asparagine
Asparagine
ME418563
6267
C00152
-
188
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME418593
150929
-
-
189
glyceric acid
Glyceric acid
ME418524
439194
C00258
-
189
urea
Urea
ME418417
1176
C00086
-
189
xylonic acid isomer
-
ME418409
10264
C02341
-
189
oxalic acid
Oxalic acid
ME418462
971
C00209
-
190
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME418584
92135
C01089
-
191
lactic acid
Lactic acid
ME418493
612
C01432
-
191
alpha-ketoglutarate
2-Oxoglutaric acid
ME418570
51
C00026
-
198
indole-3-acetate
Indoleacetic acid
ME418505
802
C00954
-
202
indole-3-lactate
Indolelactic acid
ME418504
92904
C02043
-
202
N-acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME418471
439917
C03137
-
202
tryptophan
Tryptophan
ME418422
6305
C00078
-
202
1-monostearin
MG 18:0/0:0/0:0
ME418596
24699
D01947
-
203
cellobiose
Cellobiose
ME418554
6255
C01971
-
204
glycerol-3-galactoside
Galactosylglycerol
ME418522
16048618
C05401
-
204
levoglucosan
Glucosan
ME418489
2724705
-
-
204
maltose 1
Maltose
ME418481
439186
C00208
-
204
palatinitol
1,2,3-Butanetriol
ME418460
88735
-
-
204
glycerol
Glycerol
ME418523
753
C00116
-
205
mannose
Mannose
ME418479
18950
C00159
-
205
ethanol phosphate NIST
Ethylphosphate
ME418541
74190
-
-
211
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME418452
58114173
C00074
-
211
glutathione
Glutathione
ME418525
124886
C00051
-
213
dihydrocholesterol
Dihydrocholesterol
ME418542
66066
C12978
-
215
N-acetylglutamate
N-Acetylglutamic acid
ME418470
70914
C00624
-
216
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME418599
64960
C07326
-
217
arabinose
Arabinose
ME418568
6902
C00216
-
217
arabitol
Arabitol
ME418567
94154
C01904
-
217
glucose
Glucose
ME418531
-
-
-
217
glucose-1-phosphate
Glucose 1-phosphate
ME418530
65533
C00103
-
217
hexitol
Sorbitol
ME418514
453
C00392
-
217
lyxitol
L-Arabitol
ME418485
439255
C00532
-
217
pseudo uridine
Pseudouridine
ME418448
15047
C02067
-
217
ribitol
Ribitol
ME418441
827
C00474
-
217
ribose
Ribose
ME418439
5779
C00121
-
217
sorbitol
Sorbitol
ME418435
5780
C00794
-
217
UDP-glucuronic acid
UDP-glucuronic acid
ME418420
17473
C00167
-
217
uridine
Uridine
ME418415
6029
C00299
-
217
xylitol
Xylitol
ME418410
6912
C00379
-
217
xylonolactone NIST
D-Xylono-1,5-lactone
ME418408
439692
C02266
-
217
aminomalonate
Aminomalonic acid
ME418569
100714
C00872
-
218
cystine
Cystine
ME418545
595
C01420
-
218
homoserine
Homoserine
ME418510
12647
C00263
-
218
phenylalanine
Phenylalanine
ME418454
6140
C00079
-
218
serine
Serine
ME418436
5951
C00065
-
218
threonine
Threonine
ME418426
6288
C00188
-
218
tyrosine
Tyrosine
ME418421
6057
C00082
-
218
cysteine
Cysteine
ME418546
5862
C00097
-
220
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME418419
445675
C00043
-
226
3-phosphoglycerate
3-Phosphoglyceric acid
ME418583
724
C00597
-
227
aconitic acid
cis-Aconitic acid
ME418577
643757
C00417
-
229
capric acid
Capric acid
ME418555
2969
C01571
-
229
inosine
Inosine
ME418502
6021
C00294
-
230
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME418585
16069996
C06474
-
231
aspartic acid
Aspartic acid
ME418562
5960
C00049
-
232
malic acid
Malic acid
ME418483
525
C00711
-
233
malonic acid
Malonic acid
ME418482
867
C00383
-
233
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME418581
439176
C00170
-
236
adenosine
Adenosine
ME418576
60961
C00212
-
236
tocopherol alpha-
alpha-Tocopherol
ME418424
638015
C00376
-
237
hydroquinone
Hydroquinone
ME418509
785
C00530
-
239
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME418600
23368901
-
-
241
methanolphosphate
Methanolphosphate
ME418478
13130
-
-
241
uracil
Uracil
ME418418
1174
C00106
-
241
beta-glycerolphosphate
sn-Glycero-2-phosphate
ME418558
2526
C02979
-
243
cytidine-5-monophosphate
CMP
ME418544
6131
C00055
-
243
fumaric acid
Fumaric acid
ME418536
444972
C00122
-
245
isocitric acid
Isocitric acid
ME418499
5318532
C00451
-
245
glutamic acid
Glutamic acid
ME418528
33032
C00025
-
246
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME418591
43
C02630
-
247
succinic acid
Succinic acid
ME418432
1110
C00042
-
247
beta-alanine
beta-Alanine
ME418559
239
C00099
-
248
glycine
Glycine
ME418520
750
C00037
-
248
thymine
Thymine
ME418425
1135
C00178
-
255
allantoic acid
Allantoic acid
ME418572
203
C00499
-
259
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME418571
92136
C00956
-
260
glutaric acid
Glutaric acid
ME418526
743
C00489
-
261
hypoxanthine
Hypoxanthine
ME418506
790
C00262
-
265
urocanic acid
Urocanic acid
ME418414
736715
C00785
-
267
sucrose
Sucrose
ME418431
5988
C00089
-
271
citric acid
Citric acid
ME418550
311
C00158
-
273
indoxyl sulfate
Indoxyl sulfate
ME418503
10258
-
-
277
hydroxycarbamate NIST
Hydroxycarbamic acid
ME418508
16639161
-
-
278
myristic acid
Myristic acid
ME418474
11005
C06424
-
285
pantothenic acid
Pantothenic acid
ME418457
6613
C12276
-
291
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME418595
250402
-
-
292
galactonic acid
Galactonic acid
ME418535
128869
C00880
-
292
isothreonic acid
D-Threonic acid
ME418495
151152
C00639
-
292
ribonic acid
Ribonic acid
ME418440
5460677
C01685
-
292
tartaric acid
Tartaric acid
ME418429
444305
C00898
-
292
threonic acid
Threonic acid
ME418427
5460407
C01620
-
292
quinolinic acid
Quinolinic acid
ME418443
1066
C03722
-
296
phosphoethanolamine
Phosphoethanolamine
ME418451
1015
C00346
-
299
myo-inositol
Myo-inositol
ME418475
892
C00137
-
305
fructose
Fructose
ME418539
439709
C02336
-
307
tagatose
D-Tagatose
ME418430
439312
C00795
-
307
palmitoleic acid
Palmitoleic acid
ME418458
445638
C08362
-
311
palmitic acid
Palmitic acid
ME418459
985
C00249
-
313
phosphate
Phosphoric acid
ME418453
1004
C00009
-
314
fructose-6-phosphate
Fructose 6-phosphate
ME418538
440641
C05345
-
315
inositol-4-monophosphate
Inositol 4-phosphate
ME418500
440043
C03546
-
315
ribose-5-phosphate
Ribose 5-phosphate
ME418438
439167
C00117
-
315
conduritol-beta-expoxide
Conduritol epoxide
ME418548
9989541
-
-
318
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME418472
24139
C03878
-
319
N-acetylmannosamine
N-Acetyl-mannosamine
ME418468
439281
C00645
-
319
guanosine
Guanosine
ME418516
6802
C00387
-
324
xanthosine
Xanthosine
ME418411
64959
C01762
-
325
taurine
Taurine
ME418428
1123
C00245
-
326
octadecanol
Stearyl alcohol
ME418466
8221
-
-
327
ascorbic acid
Vitamin C
ME418564
54670067
C00072
-
332
galacturonic acid
Galacturonic acid
ME418533
441476
C08348
-
333
gluconic acid
Gluconic acid
ME418532
6857417
C00800
-
333
hexuronic acid
Hexuronic acid
ME418512
-
-
-
333
isohexonic acid
-
ME418498
604
-
-
333
saccharic acid
Glucaric acid
ME418437
33037
C00818
-
333
oleic acid
Oleic acid
ME418464
445639
C00712
-
339
guanine
Guanine
ME418517
764
C00242
-
352
xanthine
Xanthine
ME418412
1188
C00385
-
353
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME418521
754
C03189
-
357
lactitol
Lactitol
ME418492
157355
C13542
-
361
maltotriose
Maltotriose
ME418480
439586
C01835
-
361
raffinose
Raffinose
ME418442
439242
C00492
-
361
cis-gondoic acid
cis-Gondoic acid
ME418551
5282768
C16526
-
367
galactose-6-phosphate
Galactose 6-phosphate
ME418534
439404
C01113
-
387
glucose-6-phosphate
Glucose 6-phosphate
ME418529
5958
C00092
-
387
hexose-6-phosphate
Hexose 6-phosphate
ME418513
208
C02965
-
387
uric acid
Uric acid
ME418416
1175
C00366
-
441
cholesterone
Cholestenone
ME418552
91477
C00599
-
456
2-ketobutyric acid
3-Methyl pyruvic acid
ME418588
58
C00109
-
89
2-ketoisocaproic acid
Ketoleucine
ME418587
70
C00233
-
89
arachidonic acid
Arachidonic acid
ME418565
444899
C00219
-
91
squalene
Squalene
ME418434
638072
C00751
-
95
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