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Return to study ST001041 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
1,3-diaminopropane
1,3-Diaminopropane
ME252191
428
C00986
546741
174
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME252190
64960
C07326
633603
217
isoheptadecanoic acid NIST
15-Methylpalmitic acid
ME252077
164860
-
737927
117
1-deoxyerythritol
1-Deoxyerythritol
ME252189
20497
-
357129
117
2,4-diaminobutyric acid
2,4-Diaminobutyric acid
ME252185
134490
C03283
570766
174
2,6-diaminopimelic acid
2,6-Diaminopimelic acid
ME252184
865
-
686035
200
2-aminobutyric acid
2-Aminobutyric acid
ME252182
6657
C02721
285825
130
2-deoxyerythritol
2-Deoxyerythritol
ME252181
18302
-
354388
117
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME252178
440864
C05984
258161
131
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME252177
43
C02630
506306
247
2-hydroxyhexanoic acid
2-Hydroxyhexanoic acid
ME252176
99824
-
323093
159
2-isopropylmalic acid
2-Isopropylmalic acid
ME252175
5280523
C02504
508690
275
2-methylglutaric acid
2-Methylglutaric acid
ME252172
-
-
427677
172
alpha-ketoglutarate
2-Oxoglutaric acid
ME252144
51
C00026
507392
198
piperidone
2-Piperidinone
ME252012
12665
-
275603
156
3-(3-hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME252170
91
C11457
583925
192
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME252179
150929
-
433456
189
3,4-dihydroxyhydrocinnamic acid NIST
3,4-Dihydroxyhydrocinnamic acid
ME252168
348154
C10447
673176
179
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME252167
16069996
C06474
588886
231
3,6-anhydro-D-glucose
3,6-Anhydro-glucose
ME252166
16069993
C06478
587617
231
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME252165
64956
C05145
452655
248
3-hydroxybenzoic acid
3-Hydroxybenzoic acid
ME252163
7420
C00587
507599
267
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME252162
92135
C01089
278829
191
3-hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME252164
1662
C03761
521554
247
3-hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME252161
12122
C05593
527648
164
indole-3-propionic acid
3-Indolepropionic acid
ME252080
3744
-
732249
202
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME252157
135
C00156
537925
223
4-hydroxybutyric acid
4-Hydroxybutyric acid
ME252156
10413
C00989
325027
233
4-hydroxymandelic acid
4-Hydroxymandelic acid
ME252155
328
C11527
601658
267
4-hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME252154
127
C00642
542795
179
p-hydroxylphenyllactic acid
4-Hydroxyphenyllactic acid
ME252017
9378
C03672
654036
308
4-pyridoxic acid
4-Pyridoxic acid
ME252153
6723
C00847
673225
309
5-aminovaleric acid
5-Aminopentanoic acid
ME252152
138
C00431
536657
174
6-hydroxynicotinic acid
6-Hydroxynicotinic acid
ME252150
72924
C01020
510614
268
adenine
Adenine
ME252149
190
C00147
646701
264
adipic acid
Adipic acid
ME252148
196
C06104
474435
111
alanine-alanine
Ala-Ala
ME252146
5484352
C00993
522546
116
alanine
Alanine
ME252147
5950
C00041
243971
116
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME252145
92136
C00956
573295
260
tocopherol alpha-
alpha-Tocopherol
ME251989
638015
C00376
1066526
237
aminomalonate
Aminomalonic acid
ME252143
100714
C00872
455754
218
arabinose
Arabinose
ME252142
6902
C00216
550621
217
arabitol
Arabitol
ME252141
94154
C01904
570685
217
arachidic acid
Arachidic acid
ME252140
10467
C06425
856421
117
arachidonic acid
Arachidonic acid
ME252139
444899
C00219
834339
91
asparagine
Asparagine
ME252138
6267
C00152
553078
188
aspartic acid
Aspartic acid
ME252137
5960
C00049
480387
232
behenic acid
Behenic acid
ME252136
8215
C08281
920648
117
benzoic acid
Benzoic acid
ME252135
243
C00180
339067
179
beta-alanine
beta-Alanine
ME252134
239
C00099
435564
248
biphenyl
Biphenyl
ME252132
7095
C06588
426625
154
capric acid
Capric acid
ME252131
2969
C01571
451790
229
cellobiose
Cellobiose
ME252130
6255
C01971
932179
204
1-hexadecanol
Cetyl alcohol
ME252188
2682
C00823
679596
299
chenodeoxycholic acid
Chenodeoxycholic acid
ME252129
10133
C02528
1114867
255
cholesterol
Cholesterol
ME252128
5997
C00187
1076014
129
cis-gondoic acid
cis-Gondoic acid
ME252127
5282768
C16526
851223
367
citramalic acid
Citramalic acid
ME252126
1081
C00815
456203
247
citric acid
Citric acid
ME252125
311
C00158
617342
273
conduritol-beta-epoxide
Conduritol epoxide
ME252124
9989541
-
675635
318
creatinine
Creatinine
ME252123
588
C00791
502599
115
cysteine
Cysteine
ME252122
5862
C00097
500158
220
cytosin
Cytosine
ME252121
597
C00380
486724
254
daidzein
Daidzein
ME252120
5281708
C10208
1013259
398
2'-deoxyguanosine
Deoxyguanosine
ME252180
187790
C00330
962182
295
3-(4-hydroxyphenyl)propionic acid
Desaminotyrosine
ME252169
10394
C01744
598147
179
dihydrocholesterol
Dihydrocholesterol
ME252118
66066
C12978
1082070
215
docosahexaenoic acid
Docosahexaenoic acid
ME252117
445580
C06429
902819
91
isoribose
D-Ribopyranose
ME252074
10975657
-
558730
217
tagatose
D-Tagatose
ME251996
439312
C00795
636627
307
isothreonic acid
D-Threonic acid
ME252073
151152
C00639
489385
292
elaidic acid
Elaidic acid
ME252116
637517
C01712
784781
129
erythritol
Erythritol
ME252115
222285
C00503
471922
217
ethanolamine
Ethanolamine
ME252113
700
C00189
344719
174
ethanol phosphate NIST
Ethylphosphate
ME252114
74190
-
317291
211
fructose
Fructose
ME252112
439709
C02336
641863
307
fucose
Fucose
ME252111
439650
C02095
578299
160
fumaric acid
Fumaric acid
ME252110
444972
C00122
390775
245
galactose
Galactose
ME252109
439357
C00984
648756
319
glycerol-3-galactoside
Galactosylglycerol
ME252097
16048618
C05401
800205
204
galacturonic acid
Galacturonic acid
ME252108
441476
C08348
669400
333
tocopherol gamma-
gamma-Tocopherol
ME251988
92729
C02483
1026121
223
glucoheptulose
Glucoheptulose
ME252107
5459879
C02076
828606
217
gluconic acid
Gluconic acid
ME252106
6857417
C00800
693148
333
gluconic acid lactone
Gluconolactone
ME252105
7027
C00198
645815
220
levoglucosan
Glucosan
ME252066
2724705
-
569637
204
glucose
Glucose
ME252104
64689
C00221
657941
319
glucose-6-phosphate
Glucose 6-phosphate
ME252103
439427
C01172
812757
387
glutamic acid
Glutamic acid
ME252102
33032
C00025
527086
246
glutamine
Glutamine
ME252101
5961
C00064
600000
156
glutaric acid
Glutaric acid
ME252100
743
C00489
421596
261
glyceric acid
Glyceric acid
ME252099
439194
C00258
377495
189
glycerol
Glycerol
ME252098
753
C00116
344466
205
glycine
Glycine
ME252095
750
C00037
368707
248
glycolic acid
Glycolic acid
ME252094
757
C00160
227636
177
guanine
Guanine
ME252093
764
C00242
744307
352
hexadecane
Hexadecane
ME252091
11006
-
525964
85
hexuronic acid
Hexuronic acid
ME252089
152867
-
667373
160
histidine
Histidine
ME252088
6274
C00135
664395
154
homoserine
Homoserine
ME252087
12647
C00263
443878
218
hydrocinnamic acid
Hydrocinnamic acid
ME252086
107
C05629
434422
104
hydroxycarbamate NIST
Hydroxycarbamic acid
ME252085
16639161
-
325318
278
hydroxylamine
Hydroxylamine
ME252084
787
C00192
253158
146
3-hydroxypropionic acid
Hydroxypropionic acid
ME252160
68152
C01013
269265
177
hypoxanthine
Hypoxanthine
ME252083
790
C00262
619128
265
indole-3-acetate
Indoleacetic acid
ME252082
802
C00954
684929
202
indole-3-lactate
Indolelactic acid
ME252081
92904
C02043
764586
202
inosine
Inosine
ME252079
6021
C00294
897184
230
inositol-4-monophosphate
Inositol 4-phosphate
ME252078
440043
C03546
845976
315
beta-glutamic acid
Isoglutamic acid
ME252133
73064
C05574
525547
232
isoleucine
Isoleucine
ME252076
6306
C00407
356963
158
isomaltose
Isomaltose
ME252075
439193
C00252
983199
160
ketohexose
Ketohexose
ME252072
439312
C00795
627414
307
2-ketoisocaproic acid
Ketoleucine
ME252173
70
C00233
310761
89
lactamide
Lactamide
ME252071
94220
-
265698
232
lactic acid
Lactic acid
ME252070
612
C01432
215238
191
lactose
Lactose
ME252069
440995
C00243
935640
191
lanosterol
Lanosterol
ME252068
246983
C01724
1129573
393
lyxitol
L-Arabitol
ME252061
439255
C00532
573587
217
leucine
Leucine
ME252067
6106
C00123
346101
158
lignoceric acid
Lignoceric acid
ME252065
11197
C08320
978597
132
linoleic acid
Linoleic acid
ME252064
5280450
C01595
777414
150
lithocholic acid
Lithocholic acid
ME252063
9903
C03990
1104161
215
lysine
Lysine
ME252062
5962
C00047
663483
156
lyxose
Lyxose
ME252060
439240
C00476
541086
217
malic acid
Malic acid
ME252059
525
C00711
463180
233
malonic acid
Malonic acid
ME252058
867
C00383
305372
233
maltose
Maltose
ME252057
439186
C00208
954710
204
maltotriose
Maltotriose
ME252056
439586
C01835
1176044
361
mannitol
Mannitol
ME252055
6251
C00392
663215
319
mannonic acid NIST
Mannonic acid
ME252054
3246006
C00514
689527
333
heptadecanoic acid
Margaric acid
ME252092
10465
-
751309
117
melezitose
Melezitose
ME252053
92817
C08243
1146704
361
methanolphosphate
Methanolphosphate
ME252052
13130
-
289520
241
methionine
Methionine
ME252051
6137
C00073
483560
176
methionine sulfoxide
Methionine sulfoxide
ME252050
158980
C02989
637588
128
methyl O-D-galactopyranoside
Methyl beta-D-galactoside
ME252049
94214
C03619
630836
204
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME252171
5319879
-
941794
129
1-monopalmitin
MG 16:0/0:0/0:0
ME252186
14900
C01885
901749
129
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME252187
5283468
-
952623
129
hexadecylglycerol NIST
MG O-16:0
ME252090
72733
C13859
867593
205
octadecylglycerol
MG O-18:0
ME252034
3681
C13858
928878
205
myo-inositol
Myo-inositol
ME252048
892
C00137
731021
305
myristic acid
Myristic acid
ME252047
11005
C06424
634414
285
N-acetylaspartic acid
N-Acetylaspartic acid
ME252046
65065
C01042
548028
158
N-acetylgalactosamine
N-Acetylgalactosamine
ME252044
440552
C05021
725570
202
N-acetylglutamate
N-Acetylglutamic acid
ME252043
70914
C00624
604748
216
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME252045
24139
C03878
746341
319
N-acetylornithine
N-Acetylornithine
ME252042
439232
C00437
694651
174
N-acetylputrescine
N-Acetylputrescine
ME252041
122356
C02714
595523
174
nicotinic acid
Nicotinic acid
ME252040
938
C00253
366992
180
nonadecanoic acid
Nonadecylic acid
ME252039
12591
C16535
822782
117
norvaline
Norvaline
ME252037
65098
C01826
326715
144
O-acetylserine
O-Acetylserine
ME252036
99478
C00979
414914
174
oleamide NIST
Oleamide
ME252033
5283387
C19670
849710
144
oleic acid
Oleic acid
ME252032
445639
C00712
781527
339
ornithine
Ornithine
ME252031
6262
C00077
527113
142
orotic acid
Orotic acid
ME252030
967
C00295
586317
254
oxalic acid
Oxalic acid
ME252029
971
C00209
260513
190
2-ketoadipic acid
Oxoadipic acid
ME252174
71
C00322
331841
100
oxoproline
Oxoproline
ME252028
7405
C01879
485935
156
palmitic acid
Palmitic acid
ME252027
985
C00249
715434
313
palmitoleic acid
Palmitoleic acid
ME252026
445638
C08362
704511
311
pantothenic acid
Pantothenic acid
ME252025
6613
C12276
690887
291
parabanic acid NIST
Parabanic acid
ME252024
67126
C00802
464991
100
pelargonic acid
Pelargonic acid
ME252023
8158
C01601
399229
117
pentadecanoic acid
Pentadecylic acid
ME252022
13849
C16537
674647
117
phenylacetic acid
Phenylacetic acid
ME252021
999
C07086
368081
164
phenylalanine
Phenylalanine
ME252020
6140
C00079
537804
218
3-phenyllactic acid
Phenyllactic acid
ME252159
3848
-
516011
193
phosphoethanolamine
Phosphoethanolamine
ME252018
1015
C00346
603912
299
phosphate
Phosphoric acid
ME252019
1004
C00009
345365
314
phytanic acid
Phytanic acid
ME252016
10380830
-
770604
159
pimelic acid
Pimelic acid
ME252015
385
C02656
523205
155
pinitol
Pinitol
ME252014
164619
C03844
622466
260
pipecolinic acid
Pipecolic acid
ME252013
6931662
-
404121
156
proline
Proline
ME252011
145742
C00148
364716
142
propane-1,3-diol NIST
Propane-1,3-diol
ME252010
10442
C02457
214380
177
pseudo-uridine
Pseudouridine
ME252009
15047
C02067
815904
217
putrescine
Putrescine
ME252008
1045
C00138
588119
174
pyruvic acid
Pyruvic acid
ME252007
1060
C00022
211668
174
2,8-dihydroxyquinoline
Quinoline-2,8-diol
ME252183
97250
C06342
626989
290
quinolinic acid
Quinolinic acid
ME252006
1066
C03722
595597
296
6-deoxyglucose
Quinovose
ME252151
441480
C08352
573663
117
ribitol
Ribitol
ME252005
827
C00474
575497
217
ribonic acid
Ribonic acid
ME252004
5460677
C01685
599680
292
ribose
Ribose
ME252003
5779
C00121
553135
217
sarcosine
Sarcosine
ME252002
7311726
C00213
266344
116
serine
Serine
ME252001
5951
C00065
395020
218
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME252096
754
C03189
590747
357
sophorose
Sophorose
ME252000
441432
C08250
962064
307
D-erythro-sphingosine
Sphingosine
ME252119
5280335
C00319
859500
204
stearic acid
Stearic acid
ME251999
5281
C01530
787622
117
octadecanol
Stearyl alcohol
ME252035
8221
-
755409
327
succinic acid
Succinic acid
ME251998
1110
C00042
370608
247
sucrose
Sucrose
ME251997
5988
C00089
912704
271
taurine
Taurine
ME251995
1123
C00245
556690
326
threitol
Threitol
ME251994
169019
C16884
467595
217
threonic acid
Threonic acid
ME251993
5460407
C01620
497572
292
threonine
Threonine
ME251992
6288
C00188
408777
218
thymidine
Thymidine
ME251991
5789
C00214
349402
170
thymine
Thymine
ME251990
1135
C00178
420133
255
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME251987
5810
C01157
484934
140
tryptophan
Tryptophan
ME251986
6305
C00078
780482
202
tyramine
Tyramine
ME251985
5610
C00483
664737
174
tyrosine
Tyrosine
ME251984
6057
C00082
671252
218
tyrosol
Tyrosol
ME251983
10393
C06044
510842
179
uracil
Uracil
ME251982
1174
C00106
385816
241
urea
Urea
ME251981
1176
C00086
328888
189
3-ureidopropionate
Ureidopropionic acid
ME252158
111
C02642
554966
161
uric acid
Uric acid
ME251980
1175
C00366
731038
441
urocanic acid
Urocanic acid
ME251979
736715
C00785
699866
267
valine
Valine
ME251978
6287
C00183
313502
144
xanthine
Xanthine
ME251977
1188
C00385
701688
353
noradrenaline
Xi-Norepinephrine
ME252038
439260
C00547
754841
174
xylitol
Xylitol
ME251976
6912
C00379
567437
217
xylonic acid
Xylonic acid
ME251975
10264
C02341
590775
189
xylose
Xylose
ME251974
135191
C00181
544100
103
xylulose NIST
Xylulose
ME251973
439205
C00312
553450
173
1,3,5-trimethylcyanuric acid
-
ME252192
-
-
416269
171
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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