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Return to study ST000065 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
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME652717
64960
C07326
633969
217
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME652718
5319879
-
952623
129
1-monopalmitin
MG 16:0/0:0/0:0
ME652719
3084463
C01885
901749
129
1-monostearin
MG 18:0/0:0/0:0
ME652720
24699
D01947
959214
129
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME652721
13120901
-
384796
292
2-deoxytetronic acid NIST
3,4-Dihydroxybutyric acid
ME652722
192742
-
390517
117
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME652723
11266
C05984
258161
131
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME652724
43
C02630
506306
247
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME652725
98009
-
309587
131
2-ketoisocaproic acid
Ketoleucine
ME652726
70
C00233
310761
89
3-(3-hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME652727
91
C11457
583925
192
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME652728
16069996
C06474
590619
231
3,6-anhydro-D-glucose
3,6-Anhydro-glucose
ME652729
16069993
C06478
587617
231
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME652730
64956
C05145
309837
102
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME652731
441
C01089
278829
191
5-hydroxynorvaline NIST
L-2-Amino-5-hydroxypentanoic acid
ME652732
95562
-
494077
142
5-methoxytryptamine
5-Methoxytryptamine
ME652733
1833
C05659
864466
174
aconitic acid
cis-Aconitic acid
ME652734
643757
C00417
586815
229
adenosine
Adenosine
ME652735
60961
C00212
918039
236
alanine
Alanine
ME652736
5950
C00041
243971
116
alpha-ketoglutarate
2-Oxoglutaric acid
ME652737
51
C00026
507392
198
aminomalonate
Aminomalonic acid
ME652738
100714
C00872
455754
218
arachidonic acid
Arachidonic acid
ME652739
444899
C00219
834339
91
asparagine
Asparagine
ME652740
6267
C00152
553078
188
aspartic acid
Aspartic acid
ME652741
5960
C00049
480387
232
behenic acid
Behenic acid
ME652742
8215
C08281
920648
117
benzoic acid
Benzoic acid
ME652743
243
C00180
339214
179
beta-alanine
beta-Alanine
ME652744
239
C00099
435564
248
butane-2,3-diol NIST
2,3-Butanediol
ME652745
262
C03046
205778
117
capric acid
Capric acid
ME652746
2969
C01571
452386
229
caprylic acid
Caprylic acid
ME652747
379
C06423
343457
201
cholesterol
Cholesterol
ME652748
5997
C00187
1078536
329
citric acid
Citric acid
ME652749
311
C00158
617342
273
citrulline
Citrulline
ME652750
9750
C00327
621404
157
conduritol-beta-epoxide
Conduritol epoxide
ME652751
9989541
-
675635
318
creatinine
Creatinine
ME652752
588
C00791
502599
115
cysteine
Cysteine
ME652753
594
C00097
500158
220
cysteine-glycine
Cys-Gly
ME652754
439498
C01419
715335
220
cystine
Cystine
ME652755
595
C01420
804619
218
dehydroabietic acid
Dehydroabietic acid
ME652756
15618
C12078
850374
239
dodecanol
Dodecanol
ME652757
8193
C02277
507619
243
epsilon-caprolactam
Epsilon-caprolactam
ME652758
7768
C06593
353069
170
erythritol
Erythritol
ME652759
222285
C00503
471922
217
ethanolamine
Ethanolamine
ME652760
700
C00189
344719
174
fructose
Fructose
ME652761
5984
C02336
641863
307
fucose 1
Fucose
ME652762
439650
C02095
578299
160
fumaric acid
Fumaric acid
ME652763
444972
C00122
390775
245
galactonic acid
Galactonic acid
ME652764
128869
C00880
690882
292
glucoheptulose
Glucoheptulose
ME652765
102926
C02076
828606
217
gluconic acid
Gluconic acid
ME652766
10690
C00800
693148
333
glucose
Glucose
ME652767
5793
C00221
659798
319
glutamic acid
Glutamic acid
ME652768
33032
C00025
529100
246
glutamine
Glutamine
ME652769
5961
C00064
600315
156
glyceric acid
Glyceric acid
ME652770
439194
C00258
377495
189
glycerol
Glycerol
ME652771
753
C00116
344466
205
glycerol-3-galactoside
Galactosylglycerol
ME652772
16048618
C05401
805227
204
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME652773
754
C03189
590747
357
glycine
Glycine
ME652774
750
C00037
368707
248
glycolic acid
Glycolic acid
ME652775
757
C00160
227636
177
heptadecanoic acid
Margaric acid
ME652776
10465
-
751309
117
hexitol
Sorbitol
ME652777
453
C00392
704741
217
hexuronic acid
Hexuronic acid
ME652778
152867
-
667373
160
histidine
Histidine
ME652779
6274
C00135
663790
154
hydroxylamine
Hydroxylamine
ME652780
787
C00192
255241
146
hypoxanthine
Hypoxanthine
ME652781
790
C00262
619128
265
indole-3-acetate
Indoleacetic acid
ME652782
802
C00954
684929
202
indole-3-lactate
Indolelactic acid
ME652783
92904
C02043
764586
202
inosine
Inosine
ME652784
6021
C00294
897184
230
isocitric acid
Isocitric acid
ME652785
1198
C00451
616323
245
isoheptadecanoic acid NIST
15-Methylpalmitic acid
ME652786
164860
-
737927
117
isoleucine
Isoleucine
ME652787
6306
C00407
359251
158
isothreonic acid 1
D-Threonic acid
ME652788
5280363
C00639
489385
292
lactamide
Lactamide
ME652789
94220
-
265698
232
lactic acid
Lactic acid
ME652790
107689
C01432
217657
191
lactulose
Lactulose
ME652791
3278275
C07064
929908
204
lauric acid
Lauric acid
ME652792
3893
C02679
547906
117
leucine
Leucine
ME652793
6106
C00123
346101
158
levoglucosan
Glucosan
ME652794
2724705
-
569637
204
linoleic acid
Linoleic acid
ME652795
5280450
C01595
777414
150
linolenic acid
Octadecatrienoic acid
ME652796
5280934
C06427
780376
108
lysine
Lysine
ME652797
5962
C00047
663483
156
lyxitol
L-Arabitol
ME652798
439255
C00532
573587
217
maleimide
Maleimide
ME652799
10935
C07272
245118
154
malic acid
Malic acid
ME652800
222656
C00711
463180
233
maltose 1
Maltose
ME652801
439186
C00208
946601
204
maltotriose
Maltotriose
ME652802
439586
C01835
1176972
361
mannitol
Mannitol
ME652803
6251
C00392
663215
319
mannose
Mannose
ME652804
18950
C00159
645856
205
melibiose
Melibiose
ME652805
440658
C05402
988497
361
methionine
Methionine
ME652806
6137
C00073
483560
176
methionine sulfoxide
Methionine sulfoxide
ME652807
847
C02989
637588
128
myo-inositol
Myo-inositol
ME652808
892
C00137
730022
305
myristic acid
Myristic acid
ME652809
11005
C06424
634414
117
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME652810
24139
C03878
746341
319
n-acetylglutamate
N-Acetylglutamic acid
ME652811
70914
C00624
477776
158
N-acetylglycine NIST
N-Acetylglycine
ME652812
10972
-
356109
174
N-methylalanine
N-Methylalanine
ME652813
5288725
C02721
288133
130
oleamide NIST
Oleamide
ME652814
5283387
C19670
849710
144
oleic acid
Oleic acid
ME652815
445639
C00712
779120
339
ornithine 4tms
Ornithine
ME652816
6262
C00077
619548
142
oxalic acid
Oxalic acid
ME652817
971
C00209
260513
190
oxoproline
Oxoproline
ME652818
7405
C01879
485935
156
palmitic acid
Palmitic acid
ME652819
985
C00249
713809
313
palmitoleic acid
Palmitoleic acid
ME652820
445638
C08362
706508
117
p-cresol
P-Cresol
ME652821
2879
C01468
280360
165
pelargonic acid
Pelargonic acid
ME652822
8158
C01601
399229
117
phenol
Phenol
ME652823
996
C00146
218927
151
phenylacetic acid
Phenylacetic acid
ME652824
999
C07086
368081
164
phenylalanine
Phenylalanine
ME652825
6140
C00079
537804
218
phenylethylamine
Phenylethylamine
ME652826
1001
C05332
510327
174
phosphate
Phosphoric acid
ME652827
1004
C00009
345365
314
pipecolinic acid
Pipecolic acid
ME652828
849
C00408
404121
156
piperidone
2-Piperidinone
ME652829
12665
-
275603
156
proline
Proline
ME652830
145742
C00148
364716
142
pseudo uridine
Pseudouridine
ME652831
15047
C02067
813899
217
pyruvic acid
Pyruvic acid
ME652832
1060
C00022
211003
174
ribonic acid
Ribonic acid
ME652833
5460677
C01685
599680
292
ribose
Ribose
ME652834
5779
C00121
553135
217
serine
Serine
ME652835
5951
C00065
395020
218
sorbitol
Sorbitol
ME652836
453
C00794
667922
217
stearic acid
Stearic acid
ME652837
5281
C01530
787622
117
succinic acid
Succinic acid
ME652838
1110
C00042
370608
247
sucrose
Sucrose
ME652839
5988
C00089
915139
271
tagatose
D-Tagatose
ME652840
1101
C00795
627414
307
taurine
Taurine
ME652841
1123
C00245
556690
326
threitol
Threitol
ME652842
169019
C16884
467595
217
threonic acid
Threonic acid
ME652843
151152
C01620
497572
292
threonine
Threonine
ME652844
6288
C00188
409568
218
tocopherol alpha-
alpha-Tocopherol
ME652845
638015
C00376
1067809
237
tocopherol gamma-
gamma-Tocopherol
ME652846
92729
C02483
1026121
223
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME652847
11137200
C01157
484934
140
tryptophan
Tryptophan
ME652848
6305
C00078
780482
202
tyrosine
Tyrosine
ME652849
6057
C00082
671252
218
UDP-glucuronic acid
UDP-glucuronic acid
ME652850
17473
C00167
587601
217
uracil
Uracil
ME652851
1174
C00106
385816
241
urea
Urea
ME652852
1176
C00086
328888
189
uric acid
Uric acid
ME652853
1175
C00366
730691
441
uridine
Uridine
ME652854
6029
C00299
856709
224
valine
Valine
ME652855
6287
C00183
313502
144
xanthine
Xanthine
ME652856
1188
C00385
701688
353
xylitol
Xylitol
ME652857
6912
C00379
567437
217
xylose
Xylose
ME652858
135191
C00181
543267
103
xylulose NIST
Xylulose
ME652859
5289590
C00312
553450
173
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