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Return to study ST001606 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
zymosterol
Zymosterol
ME381040
92746
C05437
1088064
129
xylulose NIST
Xylulose
ME381041
439205
C00312
553450
173
xylose
Xylose
ME381042
135191
C00181
546699
307
xylonic acid
Xylonic acid
ME381043
6602431
C00502
589278
333
xylitol
Xylitol
ME381044
6912
C00379
567437
217
xanthurenic acid
Xanthurenic acid
ME381045
5699
C02470
795062
406
xanthine
Xanthine
ME381046
1188
C00385
701688
353
valine
Valine
ME381047
6287
C00183
313502
144
urocanic acid
Urocanic acid
ME381048
736715
C00785
699866
267
uridine
Uridine
ME381049
6029
C00299
861508
217
uric acid
Uric acid
ME381050
1175
C00366
731038
441
urea
Urea
ME381051
1176
C00086
332913
189
uracil
Uracil
ME381052
1174
C00106
385735
241
UDP-glucuronic acid
UDP-glucuronic acid
ME381053
17473
C00167
587601
217
tyrosine
Tyrosine
ME381054
6057
C00082
671252
218
tryptophan
Tryptophan
ME381055
6305
C00078
780482
202
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME381056
5810
C01157
484934
140
tocopherol gamma-
gamma-Tocopherol
ME381057
92729
C02483
1026121
223
tocopherol delta- NIST
delta-Tocopherol
ME381058
92094
C14151
997765
208
tocopherol beta NIST
beta-tocopherol
ME381059
8989
C14152
1022815
223
tocopherol alpha-
alpha-Tocopherol
ME381060
638015
C00376
1067809
237
tocopherol acetate
Tocopherol acetate
ME381061
86472
C13202
1081080
164
thymine
Thymine
ME381062
1135
C00178
420133
255
threonine
Threonine
ME381063
6288
C00188
408777
218
threonic acid
Threonic acid
ME381064
5460407
C01620
497572
292
threitol
Threitol
ME381065
169019
C16884
467595
217
taurine
Taurine
ME381066
1123
C00245
556690
326
sulfuric acid
TG 16:0_18:1_18:1
ME381067
1118
C00059
285430
227
sucrose
Sucrose
ME381068
5988
C00089
912704
271
succinic acid
Succinic acid
ME381069
1110
C00042
370608
247
succinate semialdehyde
Succinic acid semialdehyde
ME381070
1112
C00232
297024
113
stigmasterol
Stigmasterol
ME381071
5280794
C05442
1110837
255
stearic acid
Stearic acid
ME381072
5281
C01530
787622
117
sorbitol
Sorbitol
ME381073
5780
C00794
667922
217
sinapinic acid
Sinapic acid
ME381074
80642
C20448
788416
338
shikimic acid
Shikimic acid
ME381075
8742
C00493
611100
204
serine
Serine
ME381076
5951
C00065
395020
218
salicylic acid
Salicylic acid
ME381077
338
C00805
480699
267
salicylaldehyde
2-Hydroxybenzaldehyde
ME381078
6998
C06202
406586
193
saccharic acid
Glucaric acid
ME381079
33037
C00818
699211
333
ribose
Ribose
ME381080
5779
C00121
553078
217
ribonic acid
Ribonic acid
ME381081
5460677
C01685
597646
292
ribitol
Ribitol
ME381082
827
C00474
575497
217
raffinose
Raffinose
ME381083
439242
C00492
1120886
361
quinic acid
Quinic acid
ME381084
6508
C00296
632897
345
pyruvic acid
Pyruvic acid
ME381085
1060
C00022
211668
174
pyrophosphate
Pyrophosphate
ME381086
1023
C00013
327517
110
putrescine
Putrescine
ME381087
1045
C00138
588872
174
pseudo uridine
Pseudouridine
ME381088
15047
C02067
813899
217
propane-1,3-diol NIST
Propane-1,3-diol
ME381089
10442
C02457
214380
177
proline
Proline
ME381090
145742
C00148
364523
142
piperidone
2-Piperidinone
ME381091
12665
-
275603
156
pipecolinic acid
Pipecolic acid
ME381092
6931662
-
404121
156
pinitol
Pinitol
ME381093
164619
-
624716
260
pimelic acid
Pimelic acid
ME381094
385
C02656
523205
155
phosphoethanolamine
Phosphoethanolamine
ME381095
1015
C00346
603912
299
phenylpyruvate
Phenylpyruvic acid
ME381096
-
-
517753
91
phenylalanine
Phenylalanine
ME381097
6140
C00079
537804
218
phenylacetic acid
Phenylacetic acid
ME381098
999
C07086
368081
164
phenaceturic acid
Phenylacetylglycine
ME381099
68144
C05598
654351
91
pentitol
Arabitol
ME381100
827
D00061
563801
307
pelargonic acid
Pelargonic acid
ME381101
8158
C01601
399229
117
parabanic acid NIST
Parabanic acid
ME381102
67126
C00802
464991
100
pantothenic acid
Pantothenic acid
ME381103
6613
C12276
690887
291
palmitoleic acid
Palmitoleic acid
ME381104
445638
C08362
704511
311
palmitic acid
Palmitic acid
ME381105
985
C00249
713809
313
p-hydroxylphenyllactic acid
4-Hydroxyphenyllactic acid
ME381106
9378
C03672
654036
308
oxoproline
Oxoproline
ME381107
7405
C01879
490513
156
oxalic acid
Oxalic acid
ME381108
971
C00209
260513
190
orotic acid
Orotic acid
ME381109
967
C00295
586317
254
ornithine
Ornithine
ME381110
6262
C00077
527113
142
oleic acid
Oleic acid
ME381111
445639
C00712
779120
339
oleamide NIST
Oleamide
ME381112
5283387
C19670
849710
144
octadecanol
Stearyl alcohol
ME381113
8221
-
755409
327
nicotinic acid
Nicotinic acid
ME381114
938
C00253
353934
180
nicotinamide
Niacinamide
ME381115
936
C00153
469827
179
N-methylalanine
N-Methylalanine
ME381116
5288725
C02721
285825
130
N-acetylmannosamine
N-Acetyl-mannosamine
ME381117
439281
C00645
722897
319
N-acetylglutamate
N-Acetylglutamic acid
ME381118
70914
C00624
604748
216
N-acetylaspartic acid
N-Acetylaspartic acid
ME381119
65065
C01042
548028
158
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME381120
24139
C03878
746341
319
myristic acid
Myristic acid
ME381121
11005
C06424
634414
285
myo-inositol
Myo-inositol
ME381122
892
C00137
730022
305
mucic acid
Galactaric acid
ME381123
3037582
C00879
709842
333
methionine sulfoxide
Methionine sulfoxide
ME381124
158980
C02989
637588
128
methionine
Methionine
ME381125
6137
C00073
483560
176
methanolphosphate
Methanolphosphate
ME381126
13130
-
289520
241
melezitose
Melezitose
ME381127
92817
C08243
1146704
361
mannose
Mannose
ME381128
18950
C00159
645856
205
maltotriose
Maltotriose
ME381129
439586
C01835
1176044
361
maltose
Maltose
ME381130
439186
C00208
946601
204
maltitol
Maltitol
ME381131
493591
D04845
976828
361
malonic acid
Malonic acid
ME381132
867
C00383
305372
233
malic acid
Malic acid
ME381133
525
C00711
463180
233
maleimide
Maleimide
ME381134
10935
C07272
245118
154
lyxitol
L-Arabitol
ME381135
439255
C00532
573587
217
lysine
Lysine
ME381136
5962
C00047
663483
156
linolenic acid
Octadecatrienoic acid
ME381137
5280934
C06427
780376
108
linoleic acid
Linoleic acid
ME381138
5280450
C01595
777414
150
levoglucosan
Glucosan
ME381139
2724705
-
569637
204
leucine
Leucine
ME381140
6106
C00123
345845
158
lauric acid
Lauric acid
ME381141
3893
C02679
547906
117
lactic acid
Lactic acid
ME381142
612
C01432
217657
191
lactamide
Lactamide
ME381143
94220
-
265698
232
kynurenic acid
Kynurenic acid
ME381144
3845
C01717
726186
231
ketohexose
Ketohexose
ME381145
439312
C00795
627414
307
keto-hexonic acid
-
ME381146
50
-
645885
349
isothreonic acid
D-Threonic acid
ME381147
151152
C00639
489385
292
isoribose
D-Ribopyranose
ME381148
10975657
-
558730
217
isoleucine
Isoleucine
ME381149
6306
C00407
359251
158
isohexonic acid
-
ME381150
604
-
698302
333
isocitric acid
Isocitric acid
ME381151
5318532
C00451
616323
245
inosine
Inosine
ME381152
6021
C00294
897434
230
indole-3-propionate
3-Indolepropionic acid
ME381153
-
-
732249
202
indole-3-lactate
Indolelactic acid
ME381154
92904
C02043
764586
202
indole-3-acetate
Indoleacetic acid
ME381155
802
C00954
684929
202
hypoxanthine
Hypoxanthine
ME381156
790
C00262
619128
265
hydroxylamine
Hydroxylamine
ME381157
787
C00192
255241
146
hydroxycarbamate NIST
Hydroxycarbamic acid
ME381158
16639161
-
325318
278
hydrocinnamic acid
Hydrocinnamic acid
ME381159
-
-
435454
104
histidine
Histidine
ME381160
6274
C00135
663790
154
hippuric acid
Hippuric acid
ME381161
464
C01586
637795
206
hexuronic acid
Hexuronic acid
ME381162
152867
-
667373
160
hexitol
Sorbitol
ME381163
453
C00392
704741
217
hexadecane
Hexadecane
ME381164
11006
-
525964
85
heptadecanoic acid
Margaric acid
ME381165
10465
-
751309
117
guanine
Guanine
ME381166
764
C00242
744307
352
glycyl proline
Gly-Pro
ME381167
3013625
-
691357
174
glycolic acid
Glycolic acid
ME381168
757
C00160
227409
177
glycocyamine
Guanidoacetic acid
ME381169
763
C00581
511016
171
glycine
Glycine
ME381170
750
C00037
368707
248
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME381171
754
C03189
590747
357
glycerol-3-galactoside
Galactosylglycerol
ME381172
16048618
C05401
805227
204
glycerol
Glycerol
ME381173
753
C00116
344466
205
glyceric acid
Glyceric acid
ME381174
439194
C00258
377495
189
glutamine
Glutamine
ME381175
5961
C00064
600000
156
glutamic acid
Glutamic acid
ME381176
33032
C00025
529100
246
glucose-6-phosphate
Glucose 6-phosphate
ME381177
439427
C01172
810287
387
glucose
Glucose
ME381178
64689
C00221
657941
319
gluconic acid lactone
Gluconolactone
ME381179
7027
C00198
645815
220
gluconic acid
Gluconic acid
ME381180
6857417
C00800
693148
333
galactonic acid
Galactonic acid
ME381181
128869
C00880
690882
292
galactitol
Galactitol
ME381182
5460044
C01507
669079
319
galactinol
Galactinol
ME381183
11727586
C01235
1017580
204
fumaric acid
Fumaric acid
ME381184
444972
C00122
390016
245
fucose
Fucose
ME381185
439650
C02095
578299
160
ferulic acid
trans-Ferulic acid
ME381186
445858
C01494
732779
338
ethanolamine
Ethanolamine
ME381187
700
C00189
344719
174
erythrose
Erythrose
ME381188
439574
C01796
443306
205
erythritol
Erythritol
ME381189
222285
C00503
471922
217
enolpyruvate NIST
Phosphoenolpyruvic acid
ME381190
1005
C00074
234394
217
docosahexaenoic acid
Docosahexaenoic acid
ME381191
445580
C06429
902819
91
dihydrocholesterol
Dihydrocholesterol
ME381192
66066
C12978
1082070
215
deoxypentitol
1-Deoxy-D-ribitol
ME381193
270738
-
528774
231
dehydroascorbic acid
L-Dehydroascorbic acid
ME381194
440667
C05422
633423
173
dehydroabietic acid
Dehydroabietic acid
ME381195
94391
C12078
850374
239
daidzein
Daidzein
ME381196
5281708
C10208
1013259
398
cytosin
Cytosine
ME381197
597
C00380
486724
254
cystine
Cystine
ME381198
595
C01420
796604
218
cysteine
Cysteine
ME381199
5862
C00097
500158
220
creatinine
Creatinine
ME381200
588
C00791
502599
115
conduritol-beta-epoxide
Conduritol epoxide
ME381201
9989541
-
675635
318
citric acid
Citric acid
ME381202
311
C00158
617342
273
cis-gondoic acid
cis-Gondoic acid
ME381203
5282768
C16526
847372
367
cholesterol
Cholesterol
ME381204
5997
C00187
1078536
129
cellobiose
Cellobiose
ME381205
6255
C01971
932179
204
capric acid
Capric acid
ME381206
2969
C01571
452386
229
butyrolactam NIST
2-Pyrrolidinone
ME381207
12025
-
277199
142
beta-sitosterol
Sitosterol
ME381208
222284
C01753
1128225
129
beta-gentiobiose
beta-Gentiobiose
ME381209
441422
C08240
965404
160
beta-alanine
beta-Alanine
ME381210
239
C00099
435564
248
behenic acid
Behenic acid
ME381211
8215
C08281
920648
117
aspartic acid
Aspartic acid
ME381212
5960
C00049
480387
232
asparagine
Asparagine
ME381213
6267
C00152
553078
188
ascorbic acid
Vitamin C
ME381214
54670067
C00072
672898
332
arachidonic acid
Arachidonic acid
ME381215
444899
C00219
834339
91
arachidic acid
Arachidic acid
ME381216
10467
C06425
856421
117
aminomalonate
Aminomalonic acid
ME381217
100714
C00872
455754
218
alpha-ketoglutarate
2-Oxoglutaric acid
ME381218
51
C00026
507392
198
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME381219
92136
C00956
573295
260
alloxanoic acid NIST
Alloxanoic acid
ME381220
94146
-
584472
331
allantoic acid
Allantoic acid
ME381221
203
C00499
726050
259
alanine
Alanine
ME381222
5950
C00041
244189
116
adipic acid
Adipic acid
ME381223
196
C06104
474435
111
adenosine
Adenosine
ME381224
60961
C00212
918039
236
aconitic acid
cis-Aconitic acid
ME381225
643757
C00417
586815
229
abietic acid
Abietic acid
ME381226
10569
C06087
862614
256
7-methylguanine NIST
7-Methylguanine
ME381227
11361
C02242
768706
294
5-methyluridine NIST
Ribothymidine
ME381228
-
-
872353
259
5-methoxytryptamine
5-Methoxytryptamine
ME381229
1833
C05659
864466
174
5-hydroxy-3-indoleacetic acid
5-Hydroxyindoleacetic acid
ME381230
1826
C05635
777606
290
5-aminovaleric acid
5-Aminopentanoic acid
ME381231
138
C00431
536657
174
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME381232
127
C00642
542795
179
4-hydroxymandelic acid
4-Hydroxymandelic acid
ME381233
328
C11527
601658
267
4-hydroxyhippuric acid NIST
4-Hydroxyhippuric acid
ME381234
151012
-
784581
294
4-hydroxycinnamic acid
cis-p-Coumaric acid
ME381235
637542
C00811
674616
219
4-hydroxybutyric acid
4-Hydroxybutyric acid
ME381236
10413
C00989
325027
233
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME381237
135
C00156
537925
223
4-aminobutyric acid
4-Aminopentanoic acid
ME381238
119
C00334
488730
304
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME381239
16069996
C06474
588886
231
3,4-dihydroxyhydrocinnamic acid NIST
3,4-Dihydroxyhydrocinnamic acid
ME381240
348154
C10447
673176
179
3,4-dihydroxycinnamic acid
Caffeic acid
ME381241
689043
C01197
748847
219
3-phenyllactic acid
Phenyllactic acid
ME381242
3848
-
516011
193
3-hydroxypropionic acid
Hydroxypropionic acid
ME381243
68152
C01013
269265
177
3-hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME381244
12122
C05593
527648
164
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME381245
92135
C01089
278829
191
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME381246
64956
C05145
452655
248
3-(4-hydroxyphenyl)propionic acid
Desaminotyrosine
ME381247
10394
C01744
598147
179
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME381248
23368901
-
397526
241
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME381249
250402
-
384796
292
2-picolinic acid
Picolinic acid
ME381250
1018
C10164
383668
180
2-monopalmitin
MG 0:0/16:0/0:0
ME381251
123409
-
890356
129
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME381252
5319879
-
941794
129
2-ketoisocaproic acid
Ketoleucine
ME381253
70
C00233
310761
89
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME381254
98009
-
309587
131
2-hydroxypyrazinyl-2-propenoic acid ethyl ester NI...
-
ME381255
5371086
-
493127
121
2-hydroxyhexanoic acid
2-Hydroxyhexanoic acid
ME381256
99824
-
323093
159
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME381257
43
C02630
506306
247
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME381258
440864
C05984
259536
131
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME381259
150929
-
433456
189
1,2-cyclohexanedione
Cyclohexane-1,2-dione
ME381260
13006
C06105
552422
129
1-monostearin
MG 18:0/0:0/0:0
ME381261
24699
D01947
959214
203
1-monopalmitin
MG 16:0/0:0/0:0
ME381262
14900
C01885
901749
129
1-methyladenosine
1-Methyladenosine
ME381263
27476
C02494
829921
259
1-kestose
1-Kestose
ME381264
440080
C03661
1123027
361
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