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Return to study ST000087 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
phosphate
Phosphoric acid
ME656741
1004
C00009
345365
314
pyrophosphate
Pyrophosphate
ME656748
644102
C00013
327517
110
adenosine-5-monophosphate
AMP
ME656617
6083
C00020
1038688
169
pyruvic acid
Pyruvic acid
ME656749
1060
C00022
211668
174
glutamic acid
Glutamic acid
ME656673
33032
C00025
529100
246
alpha-ketoglutarate
2-Oxoglutaric acid
ME656622
51
C00026
507392
198
glycine
Glycine
ME656680
750
C00037
368707
248
alanine
Alanine
ME656619
5950
C00041
243971
116
succinic acid
Succinic acid
ME656761
1110
C00042
370608
247
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME656777
445675
C00043
625003
226
lysine
Lysine
ME656710
5962
C00047
663483
156
aspartic acid
Aspartic acid
ME656627
5960
C00049
480387
232
cytidine-5-monophosphate NIST
CMP
ME656650
6131
C00055
973708
315
sulfuric acid
TG 16:0_18:1_18:1
ME656763
5462417
C00059
285430
227
glutamine
Glutamine
ME656674
5961
C00064
600315
156
serine
Serine
ME656755
5951
C00065
395020
218
methionine
Methionine
ME656717
6137
C00073
483560
176
enolpyruvate NIST
Phosphoenolpyruvic acid
ME656655
1005
C00074
234394
217
ornithine
Ornithine
ME656728
6262
C00077
527113
142
tryptophan
Tryptophan
ME656774
6305
C00078
780482
202
phenylalanine
Phenylalanine
ME656739
6140
C00079
537804
218
tyrosine
Tyrosine
ME656775
6057
C00082
671252
218
urea
Urea
ME656779
1176
C00086
328888
189
sucrose
Sucrose
ME656762
5988
C00089
915139
271
glucose-6-phosphate
Glucose 6-phosphate
ME656672
5958
C00092
818275
387
cysteine
Cysteine
ME656646
594
C00097
500158
220
beta-alanine
beta-Alanine
ME656631
239
C00099
435564
248
glucose-1-phosphate
Glucose 1-phosphate
ME656671
65533
C00103
594647
217
uridine-5-monophosphate
UMP
ME656781
6030
C00105
977896
169
uracil
Uracil
ME656778
1174
C00106
385735
241
glycerol
Glycerol
ME656677
753
C00116
344466
205
ribose
Ribose
ME656751
5779
C00121
553135
217
fumaric acid
Fumaric acid
ME656662
444972
C00122
390016
245
leucine
Leucine
ME656707
6106
C00123
346101
158
inosine-5'-monophosphate
IMP
ME656694
8582
C00130
1018687
169
histidine
Histidine
ME656689
6274
C00135
663739
154
myo-inositol
Myo-inositol
ME656719
892
C00137
730022
305
putrescine
Putrescine
ME656747
1045
C00138
588872
174
phenol
Phenol
ME656737
996
C00146
218927
151
adenine
Adenine
ME656615
190
C00147
646534
264
proline
Proline
ME656745
145742
C00148
364716
142
asparagine
Asparagine
ME656626
6267
C00152
553078
188
nicotinamide
Niacinamide
ME656724
936
C00153
469827
179
citric acid
Citric acid
ME656642
311
C00158
617342
273
mannose
Mannose
ME656714
18950
C00159
645856
205
glycolic acid
Glycolic acid
ME656681
757
C00160
227636
177
UDP-glucuronic acid
UDP-glucuronic acid
ME656776
17473
C00167
587601
217
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME656613
439176
C00170
967036
236
thymine
Thymine
ME656769
1135
C00178
420133
255
benzoic acid
Benzoic acid
ME656630
243
C00180
339067
179
xylose
Xylose
ME656784
135191
C00181
546699
307
valine
Valine
ME656782
6287
C00183
313502
144
cholesterol
Cholesterol
ME656639
5997
C00187
1078536
329
threonine
Threonine
ME656767
6288
C00188
409568
218
ethanolamine
Ethanolamine
ME656659
700
C00189
344719
174
hydroxylamine
Hydroxylamine
ME656691
787
C00192
253158
146
ribulose-5-phosphate
Ribulose 5-phosphate
ME656752
439184
C00199
735908
357
maltose 1
Maltose
ME656713
439186
C00208
946601
204
oxalic acid
Oxalic acid
ME656729
971
C00209
260513
190
adenosine
Adenosine
ME656616
60961
C00212
918039
236
thymidine
Thymidine
ME656768
5789
C00214
349402
170
arachidonic acid
Arachidonic acid
ME656625
444899
C00219
834339
91
glucose
Glucose
ME656670
5793
C00221
659798
319
succinate semialdehyde
Succinic acid semialdehyde
ME656760
1112
C00232
297024
113
2-ketoisocaproic acid
Ketoleucine
ME656604
70
C00233
310761
89
lactose
Lactose
ME656704
6134
C00243
935640
191
taurine
Taurine
ME656765
1123
C00245
556690
326
palmitic acid
Palmitic acid
ME656731
985
C00249
713809
313
isomaltose
Isomaltose
ME656698
439193
C00252
993307
204
nicotinic acid
Nicotinic acid
ME656725
938
C00253
353934
180
glyceric acid
Glyceric acid
ME656676
439194
C00258
377495
189
hypoxanthine
Hypoxanthine
ME656692
790
C00262
619128
265
inosine
Inosine
ME656693
6021
C00294
897434
230
uridine
Uridine
ME656780
6029
C00299
856709
224
xylulose NIST
Xylulose
ME656785
5289590
C00312
553450
173
spermidine
Spermidine
ME656757
1102
C00315
792924
144
citrulline
Citrulline
ME656643
9750
C00327
621404
157
phosphogluconic acid
Phosphogluconic acid
ME656743
91493
C00345
847013
299
phosphoethanolamine
Phosphoethanolamine
ME656742
1015
C00346
604335
299
tocopherol alpha-
alpha-Tocopherol
ME656770
638015
C00376
1067809
237
xanthine
Xanthine
ME656783
1188
C00385
701688
353
guanosine
Guanosine
ME656684
6802
C00387
954962
324
hexitol
Sorbitol
ME656686
453
C00392
704741
217
isoleucine
Isoleucine
ME656697
6306
C00407
359251
158
5-aminovaleric acid
5-Aminopentanoic acid
ME656612
138
C00431
536657
174
isocitric acid
Isocitric acid
ME656696
1198
C00451
616323
245
ribitol
Ribitol
ME656750
6912
C00474
575497
217
cytidine
Cytidine
ME656649
6175
C00475
937026
223
glutaric acid
Glutaric acid
ME656675
743
C00489
421260
261
erythritol
Erythritol
ME656657
222285
C00503
471922
217
lyxitol
L-Arabitol
ME656711
439255
C00532
573587
217
3-phosphoglycerate
3-Phosphoglyceric acid
ME656611
724
C00597
610734
227
n-acetylglutamate
N-Acetylglutamic acid
ME656722
70914
C00624
477776
158
isothreonic acid 1
D-Threonic acid
ME656699
5280363
C00639
489385
292
N-acetylmannosamine minor
N-Acetyl-mannosamine
ME656723
439281
C00645
735323
319
malic acid
Malic acid
ME656712
222656
C00711
463180
233
oleic acid
Oleic acid
ME656727
445639
C00712
781527
129
alpha-galactose
Galactose
ME656621
6036
C00738
649148
204
squalene
Squalene
ME656758
5280370
C00751
976237
95
creatinine
Creatinine
ME656645
588
C00791
502599
115
sorbitol
Sorbitol
ME656756
453
C00794
667922
217
tagatose
D-Tagatose
ME656764
1101
C00795
631835
103
gluconic acid
Gluconic acid
ME656669
10690
C00800
693148
333
citramalic acid
Citramalic acid
ME656641
1081
C00815
456203
247
saccharic acid
Glucaric acid
ME656754
33037
C00818
699211
333
1-hexadecanol
Cetyl alcohol
ME656598
2682
C00823
679596
299
aminomalonate
Aminomalonic acid
ME656623
100714
C00872
455754
218
galactonic acid
Galactonic acid
ME656665
128869
C00880
690882
292
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME656620
469
C00956
571057
260
galactose
Galactose
ME656666
6036
C00984
648756
319
N-acetylaspartic acid
N-Acetylaspartic acid
ME656721
65065
C01042
548028
158
3-hydroxybutanoic acid
3-Hydroxybutyric acid
ME656609
441
C0108
278969
177
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME656610
441
C01089
278829
191
galactose-6-phosphate
Galactose 6-phosphate
ME656667
3034794
C01113
828102
387
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME656773
11137200
C01157
460662
158
galactinol
Galactinol
ME656663
11727586
C01235
998425
204
galactinol
Galactinol
ME656664
11727586
C01235
991053
204
phytol
Phytol
ME656744
5280435
C01389
761712
143
cysteine-glycine
Cys-Gly
ME656647
439498
C01419
715335
220
cystine
Cystine
ME656648
595
C01420
804619
218
lactic acid
Lactic acid
ME656701
107689
C01432
217657
191
p-cresol
P-Cresol
ME656734
2879
C01468
280360
165
stearic acid
Stearic acid
ME656759
5281
C01530
787622
117
capric acid
Capric acid
ME656634
2969
C01571
451790
229
linoleic acid
Linoleic acid
ME656709
5280450
C01595
777414
150
pelargonic acid
Pelargonic acid
ME656735
8158
C01601
399229
117
threonic acid
Threonic acid
ME656766
151152
C01620
497572
292
erythrose
Erythrose
ME656658
94176
C01796
443306
205
oxoproline
Oxoproline
ME656730
7405
C01879
485935
156
1-monopalmitin
MG 16:0/0:0/0:0
ME656600
3084463
C01885
901749
129
cellobiose
Cellobiose
ME656636
439186
C01971
932179
204
glucoheptulose
Glucoheptulose
ME656668
102926
C02076
828606
217
digalacturonic acid
Digalacturonic acid
ME656653
6857565
C02273
980132
169
fructose
Fructose
ME656660
5984
C02336
639442
307
propane-1,3-diol NIST
Propane-1,3-diol
ME656746
10442
C02457
214380
177
tocopherol gamma-
gamma-Tocopherol
ME656772
92729
C02483
1026121
223
phenylacetamide
Phenylacetamide
ME656738
7680
C02505
458201
92
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME656602
43
C02630
506306
247
lauric acid
Lauric acid
ME656706
3893
C02679
547840
117
hexose-6-phosphate
Hexose 6-phosphate
ME656687
208
C02965
806282
387
methionine sulfoxide
Methionine sulfoxide
ME656718
847
C02989
637588
128
guanidinosuccinate
Guanidinosuccinic acid
ME656683
439918
C03139
557299
328
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME656679
754
C03189
590747
357
inositol-4-monophosphate
Inositol 4-phosphate
ME656695
440043
C03546
845976
315
s(-)-willardiine
(S)-Willardiine
ME656753
5123
C03584
815363
204
lactobionic acid
Lactobionic acid
ME656703
7314
C04247
972139
204
phenylethylamine
Phenylethylamine
ME656740
1001
C05332
513300
174
fructose-6-phosphate
Fructose 6-phosphate
ME656661
69507
C05345
804279
315
glycerol-3-galactoside
Galactosylglycerol
ME656678
16048618
C05401
805227
204
melibiose
Melibiose
ME656715
440658
C05402
988497
361
dehydroascorbic acid
Dehydroascorbic acid
ME656652
210328
C05422
644832
173
adipic acid
Adipic acid
ME656618
196
C06104
474435
111
caprylic acid
Caprylic acid
ME656635
379
C06423
343457
201
myristic acid
Myristic acid
ME656720
11005
C06424
634414
117
arachidic acid
Arachidic acid
ME656624
10467
C06425
856421
117
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME656607
16069996
C06474
590619
231
3,6-anhydro-D-glucose
3,6-Anhydro-glucose
ME656608
16069993
C06478
587617
231
epsilon-caprolactam
Epsilon-caprolactam
ME656656
7768
C06593
353069
170
lactulose
Lactulose
ME656705
3278275
C07064
929908
204
beta-gentiobiose
beta-Gentiobiose
ME656632
441422
C08240
965404
204
azelaic acid
Azelaic acid
ME656628
2266
C08261
610651
317
behenic acid
Behenic acid
ME656629
8215
C08281
920648
117
6-deoxyglucose
Quinovose
ME656614
441480
C08352
573663
117
palmitoleic acid
Palmitoleic acid
ME656732
445638
C08362
706508
117
butyrolactam NIST
2-Pyrrolidinone
ME656633
12025
C11118
277199
142
dehydroabietic acid
Dehydroabietic acid
ME656651
15618
C12078
850374
239
pantothenic acid
Pantothenic acid
ME656733
988
C12276
690887
291
cholestan-3-ol
Epi-cholestanol
ME656638
3240
C12978
1082070
215
lactitol
Lactitol
ME656702
157355
C13542
959541
361
tocopherol beta NIST
beta-tocopherol
ME656771
8989
C14152
1022815
223
cis-gondoic acid
cis-Gondoic acid
ME656640
5282768
C16526
847372
367
pentadecanoic acid
Pentadecylic acid
ME656736
13849
C16537
674647
117
octadecanol
Stearyl alcohol
ME656726
8221
D01924
755409
327
1-monostearin
MG 18:0/0:0/0:0
ME656601
24699
D01947
959214
129
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME656599
5319879
-
952623
129
2,5-dihydroxypyrazine NIST
2,5-Dihydroxypyrazine
ME656597
23368901
-
397526
241
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME656603
98009
-
309587
131
2-monoolein
MG 0:0/18:1(9Z)/0:0
ME656605
5319879
-
941794
129
2-monopalmitin
MG 0:0/16:0/0:0
ME656606
3084463
-
890356
129
cerotinic acid
Cerotic acid
ME656637
10469
-
1033286
145
conduritol-beta-expoxide
Conduritol epoxide
ME656644
9989541
-
701723
318
diglycerol
Diglycerol
ME656654
42953
-
591074
103
glycyl proline
Gly-Pro
ME656682
3013625
-
691357
174
heptadecanoic acid
Margaric acid
ME656685
10465
-
751309
117
hexuronic acid
Hexuronic acid
ME656688
152867
-
667373
160
hydroxycarbamate NIST
Hydroxycarbamic acid
ME656690
16639161
-
325948
278
lactamide
Lactamide
ME656700
94220
-
265698
232
levoglucosan
Glucosan
ME656708
2724705
-
569637
204
methanolphosphate
Methanolphosphate
ME656716
13130
-
289520
241
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