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Return to study ST000048 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
adenosine-5-monophosphate
AMP
ME651756
6083
C00020
1038688
169
tocopherol alpha-
alpha-Tocopherol
ME651870
638015
C00376
1067809
237
creatinine
Creatinine
ME651778
588
C00791
1077048
129
cholestan-3-ol
Epi-cholestanol
ME651775
3240
C12978
1082070
215
pyruvic acid
Pyruvic acid
ME651854
1060
C00022
211668
174
propane-1,3-diol NIST
Propane-1,3-diol
ME651851
10442
C02457
214380
177
glycolic acid
Glycolic acid
ME651802
757
C00160
227636
177
acetoacetate
Acetoacetic acid
ME651754
96
C00164
252451
89
hydroxylamine
Hydroxylamine
ME651808
787
C00192
253158
146
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME651745
11266
C05984
259826
131
oxalic acid
Oxalic acid
ME651839
971
C00209
260513
190
2-hydroxy-2-methylbutanoic acid
2-Hydroxy-2-methyl-butyric acid
ME651744
58103944
-
264833
145
lactamide
Lactamide
ME651814
94220
-
265698
232
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME651750
441
C01089
278829
191
3-hydroxybutanoic acid
3-Hydroxybutyric acid
ME651749
441
C0108
278969
177
methanolphosphate
Methanolphosphate
ME651825
13130
-
289520
241
urea 3TMS
Urea
ME651875
1176
C00086
290193
171
succinate semialdehyde
Succinic acid semialdehyde
ME651862
1112
C00232
297024
113
malonic acid
Malonic acid
ME651822
867
C00383
305372
233
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME651747
98009
-
309587
131
4-hydroxybutyric acid
4-Hydroxybutyric acid
ME651752
10413
C00989
325027
233
hydroxycarbamate NIST
Hydroxycarbamic acid
ME651807
16639161
-
325948
278
stearic acid
Stearic acid
ME651861
5281
C01530
329250
100
benzoic acid
Benzoic acid
ME651770
243
C00180
339067
179
2-ketoisocaproic acid
Ketoleucine
ME651748
70
C00233
339553
116
caprylic acid
Caprylic acid
ME651773
379
C06423
343457
201
ethanolamine
Ethanolamine
ME651788
700
C00189
344719
174
oxoproline
Oxoproline
ME651840
7405
C01879
346514
205
alanine
Alanine
ME651758
5950
C00041
347293
299
thymidine
Thymidine
ME651869
5789
C00214
349402
170
nicotinic acid
Nicotinic acid
ME651833
938
C00253
353934
180
isoleucine
Isoleucine
ME651812
6306
C00407
359251
158
maleic acid
Maleic acid
ME651820
444266
C01384
363611
245
proline
Proline
ME651850
145742
C00148
364716
142
phenylacetic acid
Phenylacetic acid
ME651845
999
C07086
368081
164
glycine
Glycine
ME651801
750
C00037
368707
248
succinic acid
Succinic acid
ME651863
1110
C00042
370608
247
uracil
Uracil
ME651874
1174
C00106
385816
241
2-deoxytetronic acid NIST
3,4-Dihydroxybutyric acid
ME651743
192742
-
390517
117
fumaric acid
Fumaric acid
ME651791
444972
C00122
390775
245
serine
Serine
ME651858
5951
C00065
395020
218
pelargonic acid
Pelargonic acid
ME651844
8158
C01601
399229
117
threonine
Threonine
ME651868
6288
C00188
409568
218
hexitol
Sorbitol
ME651804
453
C00392
411756
218
glutaric acid
Glutaric acid
ME651798
743
C00489
421260
261
beta-alanine
beta-Alanine
ME651771
239
C00099
435564
248
2,4-diaminobutyric acid minor1
2,4-Diaminobutyric acid
ME651742
134490
C03283
441621
100
capric acid
Capric acid
ME651772
2969
C01571
451790
229
aminomalonate
Aminomalonic acid
ME651763
100714
C00872
455754
218
malic acid
Malic acid
ME651821
222656
C00711
463180
233
parabanic acid NIST
Parabanic acid
ME651843
67126
C00802
464991
100
threitol
Threitol
ME651866
169019
C16884
467595
217
erythritol
Erythritol
ME651787
222285
C00503
471922
217
adipic acid
Adipic acid
ME651757
196
C06104
474435
111
n-acetylglutamate
N-Acetylglutamic acid
ME651830
70914
C00624
477776
158
aspartic acid
Aspartic acid
ME651767
5960
C00049
480387
232
salicylic acid
Salicylic acid
ME651857
338
C00805
480699
267
methionine
Methionine
ME651826
6137
C00073
483560
176
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME651871
11137200
C01157
484934
140
cytosin
Cytosine
ME651784
597
C00380
486724
254
cholesterol
Cholesterol
ME651776
5997
C00187
486729
156
isothreonic acid 1
D-Threonic acid
ME651813
5280363
C00639
489385
292
threonic acid
Threonic acid
ME651867
151152
C01620
497572
292
cysteine
Cysteine
ME651780
594
C00097
500158
220
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME651746
43
C02630
506306
247
alpha-ketoglutarate
2-Oxoglutaric acid
ME651762
51
C00026
507392
198
dodecanol
Dodecanol
ME651786
8193
C02277
507619
243
mannose
Mannose
ME651824
18950
C00159
508594
198
phenylethylamine
Phenylethylamine
ME651847
1001
C05332
510327
174
n-epsilon-trimethyllysine
N-6-Trimethyllysine
ME651832
440120
C03793
512366
118
phenylalanine
Phenylalanine
ME651846
6140
C00079
537804
218
xylose
Xylose
ME651879
135191
C00181
543267
103
lauric acid
Lauric acid
ME651815
3893
C02679
547906
117
pyrophosphate TMS4
Pyrophosphate
ME651853
1023
C00013
549019
451
asparagine
Asparagine
ME651766
6267
C00152
553078
188
ribose
Ribose
ME651855
5779
C00121
553135
217
taurine
Taurine
ME651865
1123
C00245
556690
326
xylitol
Xylitol
ME651878
6912
C00379
567437
217
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME651761
469
C00956
571057
260
lyxitol
L-Arabitol
ME651819
439255
C00532
573587
217
fucose 1
Fucose
ME651790
439650
C02095
578299
160
alloxanoic acid 4tms NIST
Alloxanoic acid
ME651760
94146
-
584472
331
orotic acid
Orotic acid
ME651838
967
C00295
586317
254
aconitic acid
cis-Aconitic acid
ME651755
643757
C00417
586815
229
putrescine
Putrescine
ME651852
1045
C00138
588872
174
diglycerol
Diglycerol
ME651785
42953
-
591074
103
glutamine
Glutamine
ME651797
5961
C00064
600315
156
phosphoethanolamine
Phosphoethanolamine
ME651849
1015
C00346
603912
299
azelaic acid
Azelaic acid
ME651768
2266
C08261
610651
317
3-phosphoglycerate
3-Phosphoglyceric acid
ME651751
724
C00597
610734
227
shikimic acid
Shikimic acid
ME651859
8742
C00493
611100
204
isocitric acid
Isocitric acid
ME651810
1198
C00451
617338
245
citric acid
Citric acid
ME651777
311
C00158
617342
273
ornithine 4tms
Ornithine
ME651837
6262
C00077
619548
142
glutamic acid
Glutamic acid
ME651796
33032
C00025
619803
273
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME651739
64960
C07326
633969
217
myristic acid
Myristic acid
ME651829
11005
C06424
634414
117
methionine sulfoxide
Methionine sulfoxide
ME651827
847
C02989
637588
128
fructose
Fructose
ME651789
5984
C02336
639442
307
gluconic acid lactone
Gluconolactone
ME651794
7027
C00198
645815
220
allantoic acid (dehydrated) 4TMS major
Allantoic acid
ME651759
203
C00499
647453
331
glucose
Glucose
ME651795
5793
C00221
654125
319
lysine
Lysine
ME651818
5962
C00047
663483
156
histidine
Histidine
ME651806
6274
C00135
663739
154
hexuronic acid
Hexuronic acid
ME651805
152867
-
667373
160
sorbitol
Sorbitol
ME651860
453
C00794
667922
217
tyrosine
Tyrosine
ME651873
6057
C00082
671252
218
gluconic acid
Gluconic acid
ME651793
10690
C00800
693148
333
saccharic acid
Glucaric acid
ME651856
33037
C00818
699211
333
palmitoleic acid
Palmitoleic acid
ME651842
445638
C08362
706508
117
palmitic acid
Palmitic acid
ME651841
985
C00249
713809
313
cysteine-glycine
Cys-Gly
ME651781
439498
C01419
715335
220
myo-inositol
Myo-inositol
ME651828
892
C00137
730022
305
uric acid
Uric acid
ME651876
1175
C00366
730691
441
N-acetylmannosamine minor
N-Acetyl-mannosamine
ME651831
439281
C00645
735323
319
isoheptadecanoic acid NIST
15-Methylpalmitic acid
ME651811
164860
-
737927
117
leucine
Leucine
ME651816
6106
C00123
741335
223
heptadecanoic acid
Margaric acid
ME651803
10465
-
751309
117
octadecanol
Stearyl alcohol
ME651835
8221
D01924
755409
327
indole-3-lactate
Indolelactic acid
ME651809
92904
C02043
764586
202
cystathionine 4tms nist
Cystathionine
ME651779
439258
C02291
772979
218
N-methylalanine
N-Methylalanine
ME651834
5288725
C02721
777348
337
linoleic acid
Linoleic acid
ME651817
5280450
C01595
777414
150
oleic acid
Oleic acid
ME651836
445639
C00712
779120
98
glycerol
Glycerol
ME651800
753
C00116
779249
339
tryptophan
Tryptophan
ME651872
6305
C00078
780482
202
valine
Valine
ME651877
6287
C00183
788356
117
cystine
Cystine
ME651782
595
C01420
804619
218
glucoheptulose
Glucoheptulose
ME651792
102926
C02076
828606
217
arachidonic acid
Arachidonic acid
ME651765
444899
C00219
834339
91
arachidic acid
Arachidic acid
ME651764
10467
C06425
856421
117
glyceric acid
Glyceric acid
ME651799
439194
C00258
856790
117
5-methoxytryptamine
5-Methoxytryptamine
ME651753
1833
C05659
864466
174
phosphate
Phosphoric acid
ME651848
1004
C00009
891860
149
1-monopalmitin
MG 16:0/0:0/0:0
ME651740
3084463
C01885
901749
129
sucrose
Sucrose
ME651864
5988
C00089
915139
271
behenic acid
Behenic acid
ME651769
8215
C08281
920648
117
cellobiose
Cellobiose
ME651774
439186
C01971
932179
204
cytidine
Cytidine
ME651783
6175
C00475
937026
223
maltose 1
Maltose
ME651823
439186
C00208
946601
204
1-monostearin
MG 18:0/0:0/0:0
ME651741
24699
D01947
959214
129
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