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Return to study ST000381 main page
Analysis: GC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
parabanic acid NIST
Parabanic acid
ME132930
67126
C00802
-
100
xylose
Xylose
ME132881
135191
C00181
-
103
acetophenone NIST
Acetophenone
ME133038
7410
C07113
-
105
pyrophosphate
Pyrophosphate
ME132918
1023
C00013
-
110
adipic acid
Adipic acid
ME133034
196
C06104
-
111
creatinine
Creatinine
ME133013
588
C00791
-
115
alanine
Alanine
ME133033
5950
C00041
-
116
2-deoxyerythritol
2-Deoxyerythritol
ME133071
18302
-
-
117
6-deoxyglucitol
6-Deoxyglucitol
ME133040
151266
-
-
117
arachidic acid
Arachidic acid
ME133029
10467
C06425
-
117
butane-2,3-diol NIST
2,3-Butanediol
ME133023
262
C03046
-
117
digitoxose
Digitoxose
ME133007
94168
-
-
117
heptadecanoic acid
Margaric acid
ME132977
10465
-
-
117
pelargonic acid
Pelargonic acid
ME132929
8158
C01601
-
117
stearic acid
Stearic acid
ME132907
5281
C01530
-
117
5-hydroxymethyl-2-furoic acid NIST
Sumiki's acid
ME133042
80642
C20448
-
123
1,2-cyclohexanedione
Cyclohexane-1,2-dione
ME133074
13006
C06105
-
129
1-monopalmitin
MG 16:0/0:0/0:0
ME133076
14900
C01885
-
129
N-methylalanine
N-Methylalanine
ME132941
5288725
C02721
-
130
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME133068
440864
C05984
-
131
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME133065
98009
-
-
131
butyrolactam NIST
2-Pyrrolidinone
ME133022
12025
-
-
142
valine
Valine
ME132887
6287
C00183
-
144
2-hydroxy-2-methylbutanoic acid
2-Hydroxy-2-methyl-butyric acid
ME133069
95433
-
-
145
hydroxylamine
Hydroxylamine
ME132971
787
C00192
-
146
phenol
Phenol
ME132927
996
C00146
-
151
histidine
Histidine
ME132972
6274
C00135
-
154
pimelic acid
Pimelic acid
ME132923
385
C02656
-
155
glutamine
Glutamine
ME132986
5961
C00064
-
156
hydroxyproline dipeptide NIST
-
ME132970
-
-
-
156
lysine
Lysine
ME132955
5962
C00047
-
156
oxoproline
Oxoproline
ME132935
7405
C01879
-
156
citrulline
Citrulline
ME133015
9750
C00327
-
157
isoleucine
Isoleucine
ME132963
6306
C00407
-
158
leucine
Leucine
ME132958
6106
C00123
-
158
N-acetylaspartic acid
N-Acetylaspartic acid
ME132946
65065
C01042
-
158
N-acetylglutamate
N-Acetylglutamic acid
ME132945
70914
C00624
-
158
fucose
Fucose
ME132997
439650
C02095
-
160
hexuronic acid
Hexuronic acid
ME132973
152867
-
-
160
3-ureidopropionate
Ureidopropionic acid
ME133054
-
-
-
161
3-hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME133056
12122
C05593
-
164
benzylalcohol
Benzyl alcohol
ME132934
2879
C01468
-
165
glycocyamine
Guanidoacetic acid
ME132980
763
C00581
-
171
urea
Urea
ME132891
1176
C00086
-
171
dehydroascorbic acid
Dehydroascorbic acid
ME133010
440667
C05422
-
173
xylulose NIST
Xylulose
ME132880
439205
C00312
-
173
ethanolamine
Ethanolamine
ME133000
700
C00189
-
174
N-acetylputrescine
N-Acetylputrescine
ME132943
122356
C02714
-
174
putrescine
Putrescine
ME132919
1049
C00138
-
174
pyruvic acid
Pyruvic acid
ME132917
1060
C00022
-
174
methionine
Methionine
ME132950
6137
C00073
-
176
3-hydroxypropionic acid
Hydroxypropionic acid
ME133055
68152
C01013
-
177
glycolic acid
Glycolic acid
ME132979
757
C00160
-
177
propane-1,3-diol NIST
Propane-1,3-diol
ME132921
10442
C02457
-
177
3,4-dihydroxyhydrocinnamic acid NIST
3,4-Dihydroxyhydrocinnamic acid
ME133052
348154
C10447
-
179
3,4-dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid
ME133051
547
C01161
-
179
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME133046
127
C00642
-
179
benzoic acid
Benzoic acid
ME133025
243
C00180
-
179
nicotinic acid
Nicotinic acid
ME132940
938
C00253
-
180
p-tolyl glucuronide
P-Cresol glucuronide
ME132933
154035
-
-
180
octanol NIST
n-Octanol
ME132939
-
-
-
187
asparagine
Asparagine
ME133027
6267
C00152
-
188
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME133070
150929
-
-
189
oxalic acid
Oxalic acid
ME132936
971
C00209
-
190
trehalose
Trehalose
ME132896
-
-
-
191
3-(3-hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME133060
91
C11457
-
192
alpha-ketoglutarate
2-Oxoglutaric acid
ME133031
51
C00026
-
198
dodecanoic acid, isopropanol ester NIST
-
ME133006
-
-
-
200
caprylic acid
Caprylic acid
ME133020
379
C06423
-
201
indole-3-acetate
Indoleacetic acid
ME132968
802
C00954
-
202
indole-3-lactate
Indolelactic acid
ME132967
92904
C02043
-
202
N-acetyl-D-galactosamine
N-Acetylgalactosamine
ME132948
-
-
-
202
tryptophan
Tryptophan
ME132895
6305
C00078
-
202
cellobiose
Cellobiose
ME133018
6255
C01971
-
204
galactinol
Galactinol
ME132994
11727586
C01235
-
204
glycerol-3-galactoside
Galactosylglycerol
ME132983
16048618
C05401
-
204
isomaltose
Isomaltose
ME132962
439193
C00252
-
204
leucrose
Leucrose
ME132957
165577
-
-
204
levoglucosan
Glucosan
ME132956
2724705
-
-
204
maltose
Maltose
ME132951
439186
C00208
-
204
shikimic acid
Shikimic acid
ME132910
8742
C00493
-
204
erythrose
Erythrose
ME133001
439574
C01796
-
205
glycerol
Glycerol
ME132984
753
C00116
-
205
threose
Threose
ME132898
441031
C06463
-
205
2-hydroxyhippuric acid
Salicyluric acid
ME133066
10253
C07588
-
206
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME133072
64960
C07326
-
217
enolpyruvate NIST
Phosphoenolpyruvic acid
ME133005
1005
C00074
-
217
erythritol
Erythritol
ME133004
222285
C00503
-
217
erythronic acid
Erythronic acid
ME133003
2781043
-
-
217
glucoheptulose
Glucoheptulose
ME132991
5459879
C02076
-
217
hexitol
Sorbitol
ME132976
453
C00392
-
217
hexonic acid
Gluconic acid
ME132975
604
-
-
217
lyxitol
L-Arabitol
ME132954
439255
C00532
-
217
lyxose
Lyxose
ME132953
439240
C00476
-
217
pseudo uridine
Pseudouridine
ME132920
15047
C02067
-
217
ribose
Ribose
ME132913
5779
C00121
-
217
threitol
Threitol
ME132901
169019
C16884
-
217
UDP-glucuronic acid
UDP-glucuronic acid
ME132893
17473
C00167
-
217
uridine
Uridine
ME132889
6029
C00299
-
217
xylitol
Xylitol
ME132883
6912
C00379
-
217
aminomalonate
Aminomalonic acid
ME133030
100714
C00872
-
218
cystine
Cystine
ME133011
595
C01420
-
218
phenylalanine
Phenylalanine
ME132926
6140
C00079
-
218
serine
Serine
ME132911
5951
C00065
-
218
threonine
Threonine
ME132899
6288
C00188
-
218
tyrosine
Tyrosine
ME132894
6057
C00082
-
218
3,4-dihydroxycinnamic acid
Caffeic acid
ME133053
689043
C01197
-
219
cysteine
Cysteine
ME133012
5862
C00097
-
220
gluconic acid lactone
Gluconolactone
ME132989
7027
C00198
-
220
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME133049
135
C00156
-
223
sulfuric acid
TG 16:0_18:1_18:1
ME132905
1118
C00059
-
227
aconitic acid
cis-Aconitic acid
ME133037
643757
C00417
-
229
capric acid
Capric acid
ME133021
2969
C01571
-
229
inosine
Inosine
ME132965
6021
C00294
-
230
deoxypentitol
1-Deoxy-D-ribitol
ME133009
270738
-
-
231
digalacturonic acid
Digalacturonic acid
ME133008
439694
C02273
-
233
malic acid
Malic acid
ME132952
525
C00711
-
233
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME133041
439176
C00170
-
236
adenosine
Adenosine
ME133035
60961
C00212
-
236
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME133079
23368901
-
-
241
uracil
Uracil
ME132892
1174
C00106
-
241
fumaric acid
Fumaric acid
ME132996
444972
C00122
-
245
isocitric acid
Isocitric acid
ME132964
5318532
C00451
-
245
glutamic acid
Glutamic acid
ME132987
33032
C00025
-
246
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME133067
43
C02630
-
247
3-hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME133057
1662
C03761
-
247
citramalic acid
Citramalic acid
ME133017
1081
C00815
-
247
erythronic acid lactone
Erythrono-1,4-lactone
ME133002
5325915
C02341
-
247
succinic acid
Succinic acid
ME132906
1110
C00042
-
247
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME133059
64956
C05145
-
248
beta-alanine
beta-Alanine
ME133024
239
C00099
-
248
glycine
Glycine
ME132981
750
C00037
-
248
catechol
Pyrocatechol
ME133019
289
C00090
-
254
orotic acid
Orotic acid
ME132937
967
C00295
-
254
thymine
Thymine
ME132897
1135
C00178
-
255
N-carbamylglutamate
Carglumic acid
ME132942
121396
C05829
-
257
1,2-dihydroxycylohexane NIST
-
ME133073
-
-
-
258
1-methyladenosine
1-Methyladenosine
ME133077
-
-
-
259
allantoic acid
Allantoic acid
ME133032
203
C00499
-
259
methylmaleic acid
Citraconic acid
ME132949
643798
C02226
-
259
pinitol
Pinitol
ME132922
164619
C03844
-
260
glutaric acid
Glutaric acid
ME132985
743
C00489
-
261
adenine
Adenine
ME133036
190
C00147
-
264
hypoxanthine
Hypoxanthine
ME132969
790
C00262
-
265
3-(3-hydroxyphenyl)-3-hydroxypropionic acid NIST
3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid
ME133061
102959
-
-
267
4-hydroxymandelic acid + homovanillic
-
ME133047
-
-
-
267
urocanic acid
Urocanic acid
ME132888
-
-
-
267
4-methylcatechol
4-Methylcatechol
ME133045
9958
C06730
-
268
citric acid
Citric acid
ME133016
311
C00158
-
273
2-isopropylmalic acid
2-Isopropylmalic acid
ME133064
5280523
C02504
-
275
indoxyl sulfate
Indoxyl sulfate
ME132966
10258
-
-
277
2,8-dihydroxyquinoline
Quinoline-2,8-diol
ME133062
97250
C06342
-
290
5-hydroxy-3-indoleacetic acid
5-Hydroxyindoleacetic acid
ME133043
1826
C05635
-
290
pantothenic acid
Pantothenic acid
ME132931
6613
C12276
-
291
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME133063
250402
-
-
292
galactonic acid
Galactonic acid
ME132993
128869
C00880
-
292
isothreonic acid
D-Threonic acid
ME132961
151152
C00639
-
292
ribonic acid
Ribonic acid
ME132914
5460677
C01685
-
292
tartaric acid
Tartaric acid
ME132903
444305
C00898
-
292
threonic acid
Threonic acid
ME132900
5460407
C01620
-
292
4-hydroxyhippuric acid NIST
4-Hydroxyhippuric acid
ME133048
151012
-
-
294
7-methylguanine NIST
7-Methylguanine
ME133039
-
-
-
294
3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propionic...
-
ME133058
-
-
-
297
vanillic acid
Vanillic acid
ME132886
8468
C06672
-
297
phosphoethanolamine
Phosphoethanolamine
ME132924
1015
C00346
-
299
4-aminobutyric acid
4-Aminopentanoic acid
ME133050
119
C00334
-
304
fructose
Fructose
ME132998
439709
C02336
-
307
ketohexose
Ketohexose
ME132960
439312
C00795
-
307
pentitol
Arabitol
ME132928
827
D00061
-
307
sophorose
Sophorose
ME132908
441432
C08250
-
307
tagatose
D-Tagatose
ME132904
439312
C00795
-
307
4-pyridoxic acid
4-Pyridoxic acid
ME133044
6723
C00847
-
309
palmitic acid
Palmitic acid
ME132932
985
C00249
-
313
phosphate
Phosphoric acid
ME132925
1004
C00009
-
314
azelaic acid
Azelaic acid
ME133026
2266
C08261
-
317
1,2-anhydro-myo-inositol NIST
1,2-Anhydro-myo-inositol
ME133075
119054
-
-
318
conduritol-beta-epoxide
Conduritol epoxide
ME133014
9989541
-
-
318
glucose
Glucose
ME132988
64689
C00221
-
319
hexose
Hexose
ME132974
206
C00738
-
319
N-acetyl-D-hexosamine
N-Acetylhexosamine
ME132947
24139
C03878
-
319
N-acetylmannosamine
N-Acetyl-mannosamine
ME132944
439281
C00645
-
319
xanthosine
Xanthosine
ME132884
64959
C01762
-
325
taurine
Taurine
ME132902
1123
C00245
-
326
ascorbic acid
Vitamin C
ME133028
54670067
C00072
-
332
galacturonic acid
Galacturonic acid
ME132992
441476
C08348
-
333
gluconic acid
Gluconic acid
ME132990
6857417
C00800
-
333
saccharic acid
Glucaric acid
ME132912
33037
C00818
-
333
xylonic acid
Xylonic acid
ME132882
6602431
C00502
-
333
ferulic acid
trans-Ferulic acid
ME132999
445858
C01494
-
338
sinapinic acid
Sinapic acid
ME132909
80642
C20448
-
338
oleic acid
Oleic acid
ME132938
445639
C00712
-
339
quinic acid
Quinic acid
ME132916
6508
C00296
-
345
guanine
Guanine
ME132978
764
C00242
-
352
xanthine
Xanthine
ME132885
1188
C00385
-
353
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME132982
754
C03189
-
357
1-kestose
1-Kestose
ME133078
440080
C03661
-
361
lactitol
Lactitol
ME132959
157355
C13542
-
361
raffinose
Raffinose
ME132915
439242
C00492
-
361
uric acid
Uric acid
ME132890
1175
C00366
-
441
furoylglycine NIST
2-Furoylglycine
ME132995
21863
-
-
95
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