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Return to study ST000001 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
1,2,4-benzenetriol
1,2,4-Trihydroxybenzene
ME000097
10787
C02814
522741
239
1-monostearin
MG 18:0/0:0/0:0
ME000096
107036
D01947
959625
399
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME000098
98009
-
310750
131
3-phosphoglycerate
3-Phosphoglyceric acid
ME000095
724
C00597
611619
299
5-hydroxynorvaline NIST
L-2-Amino-5-hydroxypentanoic acid
ME001834
95562
-
494838
142
adenosine
Adenosine
ME000092
60961
C00212
917818
236
adenosine-5-monophosphate
AMP
ME000091
6083
C00020
1040943
169
adipic acid
Adipic acid
ME000090
196
C06104
475399
111
agmatine
Agmatine
ME000089
199
C00179
587051
157
alanine
Alanine
ME000088
5950
C00041
243537
116
alpha ketoglutaric acid
2-Oxoglutaric acid
ME000087
51
C00026
507734
198
arabinose
Arabinose
ME000086
7044039
C00216
546892
217
arginine + ornithine
Arginine
ME000085
6322
C00062
619420
142
ascorbic acid
Vitamin C
ME000084
54670067
C00072
673155
332
asparagine
Asparagine
ME000083
6267
C00152
553791
116
aspartic acid
Aspartic acid
ME000082
5960
C00049
480543
232
beta alanine
beta-Alanine
ME000081
239
C00099
435138
174
beta-gentiobiose
beta-Gentiobiose
ME000080
219994
C08240
967919
204
capric acid
Capric acid
ME000079
2969
C01571
451122
117
cis-sinapinic acid
cis-Sinapic acid
ME000078
1549091
-
718366
338
citric acid
Citric acid
ME000077
311
C00158
617288
273
citrulline
Citrulline
ME000076
9750
C00327
622791
256
cyano-L-alanine
Cyanoalanine
ME000075
13538
C02512
404014
141
dehydroascorbate
Dehydroascorbic acid
ME000074
210328
C00425
633331
173
erythronic acid
Erythronic acid
ME000073
2781043
-
512521
218
fructose
Fructose
ME000072
5984
C00095
638631
307
fructose-6-phosphate
Fructose 6-phosphate
ME000071
69507
C00085
804605
315
fumarate
Fumaric acid
ME000070
444972
C00122
390988
245
galactinol
Galactinol
ME000069
11727586
C01235
1017113
204
galactonic acid
Galactonic acid
ME000068
12310779
C00880
692399
292
galactose-6-phosphate_199932
Galactose 6-phosphate
ME000067
99058
C01113
817783
387
galactose-6-phosphate_200536
Galactose 6-phosphate
ME000066
99058
C01113
828457
387
glucoheptulose
Glucoheptulose
ME000065
102926
-
828610
331
gluconic acid
Gluconic acid
ME000064
10690
C00257
693140
333
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
ME000058
439194
C00258
377001
189
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME000057
754
C03189
591357
299
glycerol-beta-phosphate
sn-Glycero-2-phosphate
ME000056
2526
C02979
574994
211
glycine
Glycine
ME000055
750
C00037
368041
174
glycolic acid
Glycolic acid
ME000054
757
C00160
227487
177
hydroxylamine
Hydroxylamine
ME000053
787
C00192
255313
146
idonic acid NIST
-
ME001856
193325
-
698217
333
inositol-4-monophosphate
Inositol 4-phosphate
ME000051
6349
C03546
845491
318
inositol myo-
Myo-inositol
ME000052
892
C00137
729867
305
inulobiose
Inulobiose
ME000050
25201864
C01711
930708
204
isoleucine
Isoleucine
ME000049
6306
C00407
358756
158
isopropyl beta-D-thiogalactopyranoside
Isopropyl beta-D-thiogalactoside
ME000048
656894
-
720878
361
lactic acid
Lactic acid
ME000047
107689
C00186
216442
117
lactobionic acid
Lactobionic acid
ME000046
7314
-
952195
204
lauric acid
Lauric acid
ME000045
3893
C02679
547810
117
leucine
Leucine
ME000044
6106
C00123
345953
158
linoleic acid
Linoleic acid
ME000043
5280450
C01595
777102
337
linolenic acid
Octadecatrienoic acid
ME000042
5280934
C06427
779785
108
lyxitol
L-Arabitol
ME000041
94154
C00532
575571
217
malate
Malic acid
ME000040
222656
C00149
462908
233
maltose
Maltose
ME000039
439186
C00208
946798
361
mannonic acid NIST
Mannonic acid
ME001866
3246006
C00514
689431
333
melibiose
Melibiose
ME000038
440658
C05402
981832
204
methionie sulfoxide
Methionine
ME000037
158980
C02989
605961
128
methionine
Methionine
ME000036
6137
C00073
483425
176
methionine sulfoxide
Methionine sulfoxide
ME000407
847
C02989
637775
128
monopalmitin-1-glyceride
MG 16:0/0:0/0:0
ME000035
14900
-
901207
371
myristic acid
Myristic acid
ME000034
11005
C06424
634543
285
N-acetyl-D-hexosamine
N-Acetylhexosamine
ME000094
24139
C03136
746708
103
N-acetyl-D-mannosamine
N-Acetyl-mannosamine
ME000093
11096158
C00645
733793
205
nicotinic acid
Nicotinic acid
ME000033
938
C00253
354525
180
ornithine
Ornithine
ME000032
6262
C00077
527822
142
oxalic acid
Oxalic acid
ME000031
971
C00209
259625
147
oxoproline
Oxoproline
ME000030
7405
C01879
486399
156
palmitic acid
Palmitic acid
ME000029
985
C00249
713542
313
pelargonic acid
Pelargonic acid
ME000028
8158
C01601
399163
117
phenylalanine
Phenylalanine
ME000027
6140
C00079
537760
218
phosphoethanolamine
Phosphoethanolamine
ME000026
1015
C00346
604454
100
phosphoric acid
Phosphoric acid
ME000025
1004
C00009
344674
299
phytol
Phytol
ME000024
145386
C01389
761377
143
proline
Proline
ME000023
145742
C00148
364232
142
putrescine
Putrescine
ME000022
1045
C00134
587728
174
pyrogallol
1,2,3-Trihydroxybenzene
ME000021
1057
C01108
494984
239
raffinose
Raffinose
ME000020
439242
C00492
1121372
361
ribitol
Ribitol
ME000019
6912
C00474
572822
217
serine
Serine
ME000018
5951
C00065
394656
204
shikimic acid
Shikimic acid
ME000017
8742
C00493
610984
204
spermidine
Spermidine
ME000016
1102
C00315
792258
144
stearic acid
Stearic acid
ME000015
5281
C01530
787358
117
suberyl glycine
Suberylglycine
ME000014
6453952
-
532293
188
succinic acid
Succinic acid
ME000013
1110
C00042
370518
147
sucrose
Sucrose
ME000012
5988
C00089
915457
271
threonic acid
Threonic acid
ME000011
151152
C01620
497167
292
threonine
Threonine
ME000010
6288
C00188
409403
117
trehalose
Trehalose
ME000009
7427
C01083
947837
191
tris(ethyleneglycol) NIST ID - likely artifact
-
ME000008
-
-
471814
117
tryptophan
Tryptophan
ME000007
6305
C00078
779834
202
tyramine
Tyramine
ME000006
5610
C00483
664065
174
tyrosine
Tyrosine
ME000005
6057
C00082
671085
218
valine
Valine
ME000004
6287
C00183
313224
144
xylitol
Xylitol
ME000003
6912
C00379
563718
217
xylonic acid
Xylonic acid
ME000002
6602431
C00502
588743
292
xylose
Xylose
ME000001
135191
C00181
542808
103
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