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Return to study ST000058 main page
Analysis: MS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-hexadecanol
Cetyl alcohol
ME053800
2682
C00823
679338
299
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME053799
5319879
C01885
951858
129
2-aminoadipic acid
Aminoadipic acid
ME053798
469
C00956
572700
260
2-deoxyerythritol
2-Deoxyerythritol
ME053797
18302
n/a
354236
117
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME000384
43
C02630
506359
129
2-ketoisocaproic acid
Ketoleucine
ME000392
70
C00233
310629
200
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME053794
5319879
C02112
942197
129
2-monopalmitin
MG 0:0/16:0/0:0
ME053793
3084463
n/a
889671
218
3-phosphoglycerate
3-Phosphoglyceric acid
ME000095
724
C00597
611619
299
5-aminovaleric acid
5-Aminopentanoic acid
ME000445
138
C00431
536304
174
5b-cholestanol
Coprostanol
ME053678
6665
-
1082218
215
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME014891
439176
C00170
967673
236
7-alpha-hydroxycholesterol
7alpha-Hydroxy-cholesterol
ME053789
107722
C03594
1062766
456
aconitic acid
cis-Aconitic acid
ME053788
643757
C00417
586608
229
adenine
Adenine
ME053787
190
C00147
646737
264
adenosine
Adenosine
ME000092
60961
C00212
917818
236
adenosine-5-phosphate
AMP
ME053676
6083
C00020
1039143
169
adipic acid
Adipic acid
ME000090
196
C06104
475399
111
alanine
Alanine
ME053784
5950
C00041
241959
116
alpha ketoglutaric acid
Oxoglutaric acid
ME000087
51
C00026
507734
198
aminomalonic acid
Aminomalonic acid
ME053670
100714
C00872
455266
218
arachidic acid
Arachidic acid
ME053783
10467
C06425
856486
117
asparagine
Asparagine
ME053782
6267
C00152
554276
116
asparagine dehydrated
Asparagine
ME053781
6267
C00152
476542
100
aspartate
Aspartic acid
ME053780
5960
C00049
432951
160
aspartic acid
Aspartic acid
ME053664
5960
C00049
478092
232
behenic acid
Behenic acid
ME053779
8215
C08281
919542
132
benzoic acid
Benzoic acid
ME053778
243
C00180
339299
179
beta alanine
beta-Alanine
ME053777
239
C00099
435138
248
butane-2,3-diol
2,3-Butanediol
ME053776
262
C03044
204284
117
capric acid
Capric acid
ME000079
2969
C01571
451122
117
cellobiotol
Cellobiotol
ME001845
160514
-
956355
204
cholesterol
Cholesterol
ME000450
5997
C00187
1077630
129
citric acid
Citric acid
ME000077
311
C00158
617288
273
CMP
CMP
ME053773
6131
C00055
700264
243
conduritol beta epoxide
Conduritol epoxide
ME053772
119054
n/a
704220
318
creatinine
Creatinine
ME000398
588
C00791
502434
115
cysteine
Cysteine
ME053651
594
C00097
499495
220
cysteine-glycine
Cys-Gly
ME053770
439498
C01419
715639
220
cytidine-5'-diphosphate
CDP
ME053649
6132
C00112
861380
217
cytidine-5-monophosphate
CMP
ME053769
6131
C00055
975265
169
cytosin
Cytosine
ME053768
597
C00380
488774
254
elaidic acid
Elaidic acid
ME000397
965
C01712
780799
339
enolpyruvate NIST
Phosphoenolpyruvic acid
ME001848
1005
C00074
234457
217
erythritol
Erythritol
ME000378
222285
C00503
471274
205
ethanolamine
Ethanolamine
ME053644
700
C00189
344330
174
fructose
Fructose
ME053766
5984
C00095
638202
307
fructose-1,6-bisphosphate
Fructose 1,6-bisphosphate
ME053764
172313
C05378
937707
315
fructose 1 phosphate
Fructose 1-phosphate
ME053765
65246
C01094
800708
387
fructose-6-phosphate
Fructose 6-phosphate
ME053763
69507
C00085
805246
315
fumarate
Fumaric acid
ME000070
444972
C00122
390988
245
GABA
gamma-Aminobutyric acid
ME000405
119
C00334
488961
174
galactinol isomer
Galactinol
ME001853
11727586
C01235
1048423
204
galactose-6-phosphate_200536
Galactose 6-phosphate
ME000066
99058
C01113
828457
387
galacturonic acid
Galacturonic acid
ME053636
84740
C00333
678170
333
gamma glutamyl-valine
gamma-Glutamylvaline
ME053759
7015683
-
719509
417
glucoheptulose
Glucoheptulose
ME000065
102926
-
828610
331
glucose
Glucose
ME000063
5793
C00031
649920
160
glucose-1-phosphate
Glucose 1-phosphate
ME000062
65533
C11450
594823
217
glucose-6-phosphate
Glucose 6-phosphate
ME000061
5958
C00092
809066
387
glutamic acid
Glutamic acid
ME000060
33032
C00025
529370
246
glutamine
Glutamine
ME000059
5961
C00064
600452
156
glyceric acid
Glyceric acid
ME053755
439194
C00258
373972
189
glycerol-3-galactoside
Galactosylglycerol
ME053754
656504
C05401
805516
204
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME000057
754
C03189
591357
299
glycerol-beta-phosphate
sn-Glycero-2-phosphate
ME053752
2526
C02979
574994
243
glycine
Glycine
ME000055
750
C00037
368041
174
glycolic acid
Glycolic acid
ME000054
757
C00160
227487
177
guanine
Guanine
ME000444
764
C00242
744497
352
guanosine
Guanosine
ME053748
6802
C00387
955831
324
heptadecanoic acid
Margaric acid
ME000383
10465
-
750645
117
histidine
Histidine
ME053747
6274
C00135
663638
154
homoserine
Homoserine
ME053618
12647
C00263
444244
218
hydroxycarbamate NIST
-
ME000439
16639161
-
325357
278
hydroxylamine
Hydroxylamine
ME053746
787
C00192
254242
146
hypoxanthine
Hypoxanthine
ME053745
790
C00262
619020
265
idonic acid NIST
-
ME001856
193325
-
698217
333
inosine
Inosine
ME053744
6021
C00294
897806
230
inosine 5'-monophosphate
IMP
ME053743
8582
C00130
1017326
315
inositol-4-monophosphate
Inositol 4-phosphate
ME000051
6349
C03546
845491
318
inositol myo-
Myo-inositol
ME000052
892
C00137
729867
305
isocitric acid
Isocitric acid
ME001859
1198
C00451
616685
245
isoleucine
Isoleucine
ME000049
6306
C00407
358756
158
isothreonic acid
D-Threonic acid
ME000375
151152
C01620
489846
292
lactamide
Lactamide
ME053604
94220
-
265523
232
lactic acid
Lactic acid
ME053738
107689
C00186
215600
191
lauric acid
Lauric acid
ME053737
3893
C02679
548310
117
leucine
Leucine
ME053600
6106
C00123
345709
158
levoglucosan
Glucosan
ME000372
2724705
-
569799
204
lysine
Lysine
ME053736
5962
C00047
662525
156
malate
Malic acid
ME000040
222656
C00149
462908
233
maleimide
Maleimide
ME000423
10935
C07272
244928
154
maltose
Maltose
ME000039
439186
C00208
946798
361
maltotriose minor
Maltotriose
ME014881
92146
C01835
1177212
204
methanolphosphate
Methanolphosphate
ME053732
13130
-
289507
241
methionine
Methionine
ME053590
6137
C00073
482984
176
monopalmitin-1-glyceride
MG 16:0/0:0/0:0
ME000035
14900
-
901207
371
myristic acid
Myristic acid
ME053731
11005
C06424
634167
285
N-acetylaspartic acid
N-Acetylaspartic acid
ME053729
65065
C01042
548166
158
N-acetyl-D-mannosamine
N-Acetyl-mannosamine
ME053730
65150
C00645
723859
205
N-acetylgalactosamine
N-Acetyl-D-galactosamine
ME053728
35717
C01132
721483
205
nicotinamide
Niacinamide
ME053727
936
C00153
472223
179
ononitol
Pinitol
ME053725
230881
-
679899
217
oxalic acid
Oxalic acid
ME053724
971
C00209
260613
147
oxoproline
Pyroglutamic acid
ME000030
7405
C01879
486399
156
palmitic acid
Palmitic acid
ME000029
985
C00249
713542
313
palmitoleic acid
Palmitoleic acid
ME053575
445638
C08362
706786
129
pantothenic acid
Pantothenic acid
ME001869
988
C00864
691214
103
pelargonic acid
Pelargonic acid
ME000028
8158
C01601
399163
117
pentadecanoic acid
Pentadecylic acid
ME053722
13849
C16537
674704
117
phenylalanine
Phenylalanine
ME053571
6140
C00079
538016
218
phenylethylamine
Phenylethylamine
ME053721
1001
C05332
512521
174
proline
Proline
ME000023
145742
C00148
364232
142
putrescine
Putrescine
ME000022
1045
C00134
587728
174
pyrazine 2,5-dihydroxy NIST
-
ME001873
15532987
-
396061
241
pyrophosphate
Pyrophosphate
ME053720
644102
C00013
546635
451
pyruvic acid
Pyruvic acid
ME053719
1060
C00022
211947
174
ribitol
Ribitol
ME053558
6912
C00474
575953
319
ribulose-5-phosphate
Ribulose 5-phosphate
ME015236
439184
C00199
735613
357
salicylic acid
Salicylic acid
ME001877
338
C00805
480445
267
serine
Serine
ME053716
5951
C00065
394650
204
sorbitol
Sorbitol
ME053715
453
C00794
667287
319
spermidine
Spermidine
ME000016
1102
C00315
792258
144
stearic acid
Stearic acid
ME000015
5281
C01530
787358
117
stigmasterol
Stigmasterol
ME001878
222284
C05442
1110434
159
succinic acid
Succinic acid
ME053713
1110
C00042
370518
247
sucrose
Sucrose
ME000012
5988
C00089
915457
271
taurine
Taurine
ME053543
1123
C00245
556913
326
threonine
Threonine
ME053711
6288
C00188
408911
117
thymidine-5-monophosphate
TMP
ME053710
12803287
-
608036
170
thymine
Thymine
ME053539
1135
C00178
420134
255
tryptophan
Tryptophan
ME000007
6305
C00078
779834
202
tyrosine
Tyrosine
ME053533
6057
C00082
670802
218
UDP GlcNAc
UDP-N-acetylglucosamine
ME053708
445675
C00043
623732
226
UDP-glucuronic acid
UDP-glucuronic acid
ME053707
17473
C00167
586393
217
uracil
Uracil
ME000449
1174
C00106
385903
99
urea
Urea
ME053531
1176
C00086
337230
171
uridine
Uridine
ME000447
6029
C00299
856953
258
uridine-5'-monophosphate
UMP
ME053706
6030
C00105
979035
352
valine
Valine
ME000004
6287
C00183
313224
144
xylulose NIST
L-Xylulose
ME001882
5289590
C00310
553050
173
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