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Return to study ST001702 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
ME397431
67126
C00802
464991
100
gamma-aminobutyric acid
gamma-Aminobutyric acid
ME397501
119
C00334
364801
102
pyrophosphate
Pyrophosphate
ME397421
1023
C00013
327517
110
adipic acid
Adipic acid
ME397541
196
C06104
474435
111
creatinine
Creatinine
ME397519
588
C00791
502599
115
alanine
Alanine
ME397540
5950
C00041
243971
116
arachidic acid
Arachidic acid
ME397536
10467
C06425
856421
117
cis-gondoic acid
cis-Gondoic acid
ME397523
5282768
C16526
847372
117
heptadecanoic acid
Margaric acid
ME397486
10465
-
751309
117
lauric acid
Lauric acid
ME397468
3893
C02679
547906
117
nonadecanoic acid
Nonadecylic acid
ME397443
12591
C16535
822782
117
pelargonic acid
Pelargonic acid
ME397430
8158
C01601
399229
117
pentadecanoic acid
Pentadecylic acid
ME397429
13849
C16537
674647
117
stearic acid
Stearic acid
ME397409
5281
C01530
787622
117
methionine sulfoxide
Methionine sulfoxide
ME397451
158980
C02989
637588
128
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME397558
5283468
-
952623
129
1-monopalmitin
MG 16:0/0:0/0:0
ME397557
14900
C01885
901749
129
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME397553
5319879
-
941794
129
beta-sitosterol
Sitosterol
ME397529
222284
C01753
1128225
129
cholesterol
Cholesterol
ME397525
5997
C00187
1078536
129
N-methylalanine
N-Methylalanine
ME397445
-
C02721
285825
130
lignoceric acid
Lignoceric acid
ME397465
11197
C08320
978597
132
butyrolactam NIST
2-Pyrrolidinone
ME397528
12025
-
277199
142
ornithine
Ornithine
ME397439
6262
C00077
619548
142
proline
Proline
ME397423
145742
C00148
364716
142
valine
Valine
ME397389
6287
C00183
313502
144
hydroxylamine
Hydroxylamine
ME397479
787
C00192
255241
146
linoleic acid
Linoleic acid
ME397464
5280450
C01595
777414
150
maleimide
Maleimide
ME397459
10935
C07272
245118
154
glutamine
Glutamine
ME397496
5961
C00064
600315
156
lysine
Lysine
ME397462
5962
C00047
663483
156
oxoproline
Oxoproline
ME397436
7405
C01879
485935
156
pipecolinic acid
Pipecolic acid
ME397424
6931662
-
404121
156
citrulline
Citrulline
ME397521
9750
C00327
621404
157
isoleucine
Isoleucine
ME397473
6306
C00407
359251
158
leucine
Leucine
ME397467
6106
C00123
345168
158
N-acetylaspartic acid
N-Acetylaspartic acid
ME397446
65065
C01042
548028
158
trans-4-hydroxy-L-proline
trans-4-Hydroxyproline
ME397398
5810
C01157
457910
158
cellobiose
Cellobiose
ME397526
6255
C01971
943858
160
fucose
Fucose
ME397505
439650
C02095
578299
160
hexuronic acid
Hexuronic acid
ME397482
152867
-
667373
160
inosine-5'-monophosphate
IMP
ME397476
8582
C00130
1018687
169
thymidine
Thymidine
ME397401
5789
C00214
349402
170
dehydroascorbic acid
L-Dehydroascorbic acid
ME397515
440667
C05422
632888
173
xylulose NIST
Xylulose
ME397384
439205
C00312
553450
173
5-methoxytryptamine
5-Methoxytryptamine
ME397547
1833
C05659
864466
174
ethanolamine
Ethanolamine
ME397509
700
C00189
344719
174
putrescine
Putrescine
ME397422
1049
C00138
588119
174
pyruvic acid
Pyruvic acid
ME397420
1060
C00022
211003
174
methionine
Methionine
ME397452
6137
C00073
483560
176
glycolic acid
Glycolic acid
ME397488
757
C00160
227215
177
benzoic acid
Benzoic acid
ME397532
243
C00180
339067
179
nicotinamide
Niacinamide
ME397444
936
C00153
469827
179
octanol NIST
n-Octanol
ME397441
957
C00756
247010
187
asparagine
Asparagine
ME397534
6267
C00152
553078
188
glyceric acid
Glyceric acid
ME397493
439194
C00258
377495
189
urea
Urea
ME397392
-
-
329351
189
oxalic acid
Oxalic acid
ME397438
971
C00209
260513
190
oxamic acid
Oxamic acid
ME397437
974
C01444
338255
190
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME397551
92135
C01089
278632
191
lactic acid
Lactic acid
ME397471
612
C01432
217657
191
lactose
Lactose
ME397469
440995
C00243
935640
191
N-acetyl-D-galactosamine
N-Acetylgalactosamine
ME397448
-
-
723255
202
tryptophan
Tryptophan
ME397397
6305
C00078
780482
202
1-monostearin
MG 18:0/0:0/0:0
ME397556
24699
D01947
959214
203
glycerol-3-galactoside
Galactosylglycerol
ME397491
16048618
C05401
800205
204
levoglucosan
Glucosan
ME397466
2724705
-
569637
204
maltose
Maltose
ME397457
439186
C00208
954710
204
glycerol
Glycerol
ME397492
753
C00116
344466
205
hexadecylglycerol NIST
MG O-16:0
ME397485
-
-
867593
205
mannose
Mannose
ME397454
18950
C00159
645856
205
glutathione
Glutathione
ME397494
124886
C00051
761296
213
dihydrocholesterol
Dihydrocholesterol
ME397514
66066
C12978
1082070
215
lithocholic acid
Lithocholic acid
ME397463
9903
C03990
1104161
215
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME397555
64960
C07326
633969
217
arabitol
Arabitol
ME397537
94154
C01904
570685
217
erythronic acid
Erythronic acid
ME397511
2781043
-
512029
217
glucose-1-phosphate
Glucose 1-phosphate
ME397499
65533
C00103
594647
217
hexitol
Sorbitol
ME397484
453
C00392
704741
217
lyxose
Lyxose
ME397461
439240
C00476
541086
217
ribose
Ribose
ME397417
5779
C00121
553135
217
sorbitol
Sorbitol
ME397411
5780
C00794
667922
217
UDP-glucuronic acid
UDP-glucuronic acid
ME397395
17473
C00167
587601
217
uridine
Uridine
ME397390
6029
C00299
861508
217
xylitol
Xylitol
ME397386
6912
C00379
567437
217
xylonolactone NIST
D-Xylono-1,5-lactone
ME397385
439692
C02266
535176
217
3-(1-pyrazolyl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME397552
151491
-
499548
218
aminomalonate
Aminomalonic acid
ME397538
100714
C00872
455754
218
homoserine
Homoserine
ME397481
12647
C00263
443878
218
phenylalanine
Phenylalanine
ME397428
6140
C00079
537804
218
serine
Serine
ME397413
5951
C00065
395020
218
threonine
Threonine
ME397402
6288
C00188
409568
218
tyrosine
Tyrosine
ME397396
6057
C00082
671252
218
cysteine
Cysteine
ME397518
5862
C00097
500158
220
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME397548
135
C00156
537925
223
UDP GlcNAc
UDP-N-acetylglucosamine
ME397394
445675
C00043
627437
226
3-phosphoglycerate
3-Phosphoglyceric acid
ME397550
724
C00597
610734
227
sulfuric acid
TG 16:0_18:1_18:1
ME397406
1118
C00059
282411
227
aconitic acid
cis-Aconitic acid
ME397545
643757
C00417
586815
229
capric acid
Capric acid
ME397527
2969
C01571
451790
229
inosine
Inosine
ME397477
6021
C00294
897184
230
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME397549
16069996
C06474
588886
231
aspartic acid
Aspartic acid
ME397533
5960
C00049
480387
232
lactamide
Lactamide
ME397472
94220
-
265698
232
malic acid
Malic acid
ME397458
525
C00711
463180
233
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME397546
439176
C00170
967036
236
adenosine
Adenosine
ME397543
60961
C00212
918039
236
tocopherol alpha-
alpha-Tocopherol
ME397399
638015
C00376
1067809
237
dehydroabietic acid
Dehydroabietic acid
ME397516
94391
C12078
850374
239
hydroquinone
Hydroquinone
ME397480
785
C00530
422583
239
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME397560
23368901
-
397526
241
methanolphosphate
Methanolphosphate
ME397453
13130
-
289520
241
uracil
Uracil
ME397393
1174
C00106
385735
241
beta-glycerolphosphate
sn-Glycero-2-phosphate
ME397530
2526
C02979
574470
243
cytidine-5-monophosphate
CMP
ME397517
-
-
700635
243
dodecanol
Dodecanol
ME397512
8193
C02277
507619
243
fumaric acid
Fumaric acid
ME397504
444972
C00122
390016
245
maleic acid
Maleic acid
ME397460
444266
C01384
363611
245
glutamic acid
Glutamic acid
ME397497
33032
C00025
529100
246
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME397554
43
C02630
506306
247
erythronic acid lactone
Erythrono-1,4-lactone
ME397510
5325915
C02341
407495
247
succinic acid
Succinic acid
ME397408
1110
C00042
370737
247
beta-alanine
beta-Alanine
ME397531
239
C00099
435564
248
glycine
Glycine
ME397489
750
C00037
368707
248
thymine
Thymine
ME397400
1135
C00178
420133
255
allantoic acid
Allantoic acid
ME397539
203
C00499
723539
259
pinitol
Pinitol
ME397425
164619
C03844
622466
260
glutaric acid
Glutaric acid
ME397495
743
C00489
421260
261
adenine
Adenine
ME397544
190
C00147
646534
264
hypoxanthine
Hypoxanthine
ME397478
790
C00262
619128
265
salicylic acid
Salicylic acid
ME397414
338
C00805
480699
267
sucrose
Sucrose
ME397407
5988
C00089
912704
271
citric acid
Citric acid
ME397522
311
C00158
617342
273
myristic acid
Myristic acid
ME397449
11005
C06424
634414
285
pantothenic acid
Pantothenic acid
ME397432
6613
C12276
690887
291
ribonic acid
Ribonic acid
ME397418
5460677
C01685
599680
292
threonic acid
Threonic acid
ME397403
5460407
C01620
497572
292
terephthalic acid
Terephthalic acid
ME397404
7489
C06337
612262
295
1-hexadecanol
Cetyl alcohol
ME397559
2682
C00823
679596
299
phosphoethanolamine
Phosphoethanolamine
ME397426
1015
C00346
604335
299
myo-inositol
Myo-inositol
ME397450
892
C00137
730022
305
fructose
Fructose
ME397508
439709
C02336
641863
307
p-hydroxylphenyllactic acid
4-Hydroxyphenyllactic acid
ME397435
9378
C03672
654036
308
palmitoleic acid
Palmitoleic acid
ME397433
445638
C08362
706508
311
palmitic acid
Palmitic acid
ME397434
985
C00249
713809
313
phosphate
Phosphoric acid
ME397427
1004
C00009
345365
314
adenosine-5-monophosphate
AMP
ME397542
6083
C00020
1041375
315
fructose-6-phosphate
Fructose 6-phosphate
ME397506
440641
C05345
804279
315
inositol-4-monophosphate
Inositol 4-phosphate
ME397475
440043
C03546
846510
315
ribose-5-phosphate
Ribose 5-phosphate
ME397416
439167
C00117
733959
315
conduritol-beta-epoxide
Conduritol epoxide
ME397520
9989541
-
675635
318
galactose
Galactose
ME397503
439357
C00984
648756
319
glucose
Glucose
ME397500
64689
C00221
659798
319
mannitol
Mannitol
ME397455
6251
C00392
663215
319
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME397447
24139
C03878
746341
319
sophorose
Sophorose
ME397412
441432
C08250
972799
319
guanosine
Guanosine
ME397487
6802
C00387
954962
324
xanthosine
Xanthosine
ME397387
64959
C01762
926133
325
taurine
Taurine
ME397405
1123
C00245
556690
326
octadecanol
Stearyl alcohol
ME397442
8221
-
755409
327
isohexonic acid
-
ME397474
604
-
698302
333
oleic acid
Oleic acid
ME397440
445639
C00712
779120
339
xanthine
Xanthine
ME397388
1188
C00385
701688
353
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME397490
754
C03189
590747
357
ribulose-5-phosphate
Ribulose 5-phosphate
ME397415
439184
C00199
735908
357
lactitol
Lactitol
ME397470
157355
C13542
959541
361
maltotriose
Maltotriose
ME397456
439586
C01835
1176044
361
raffinose
Raffinose
ME397419
439242
C00492
1120886
361
isogondoic acid
cis-Gondoic acid
ME397524
5282768
C16526
851223
367
fructose-1-phosphate
Fructose 1-phosphate
ME397507
439394
C01094
803180
387
galactose-6-phosphate
Galactose 6-phosphate
ME397502
439404
C01113
828102
387
glucose-6-phosphate
Glucose 6-phosphate
ME397498
5958
C00092
818275
387
hexose-6-phosphate
Hexose 6-phosphate
ME397483
208
C02965
806282
387
uric acid
Uric acid
ME397391
1175
C00366
730691
441
arachidonic acid
Arachidonic acid
ME397535
444899
C00219
834339
91
docosahexaenoic acid
Docosahexaenoic acid
ME397513
-
-
902819
91
squalene
Squalene
ME397410
638072
C00751
976237
95
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