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Return to study ST000063 main page
Analysis: MS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
tocopherol gamma-
gamma-Tocopherol
ME652704
92729
C02483
1026121
223
cerotinic acid
Cerotic acid
ME652597
10469
-
1033286
145
tocopherol alpha-
alpha-Tocopherol
ME652703
638015
C00376
1067809
237
cholesterol
Cholesterol
ME652598
5997
C00187
1078536
329
lactic acid
Lactic acid
ME652643
107689
C01432
217657
191
glycolic acid
Glycolic acid
ME652630
757
C00160
227636
177
acetophenone NIST
Acetophenone
ME652580
7410
C07113
238615
105
alanine
Alanine
ME652583
5950
C00041
243971
116
acetoacetate
Acetoacetic acid
ME652579
96
C00164
252451
89
hydroxylamine
Hydroxylamine
ME652634
787
C00192
253158
146
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME652569
11266
C05984
258161
131
oxalic acid
Oxalic acid
ME652670
971
C00209
260513
190
lactamide
Lactamide
ME652642
94220
-
265698
232
piperidone
2-Piperidinone
ME652681
12665
-
275603
156
butyrolactam NIST
2-Pyrrolidinone
ME652594
12025
C11118
277199
142
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME652577
441
C01089
278829
191
p-cresol
P-Cresol
ME652674
2879
C01468
280360
165
N-methylalanine
N-Methylalanine
ME652665
5288725
C02721
286855
130
malonic acid
Malonic acid
ME652652
867
C00383
305372
233
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME652571
98009
-
309587
131
2-ketoisocaproic acid
Ketoleucine
ME652573
70
C00233
310761
89
valine
Valine
ME652712
6287
C00183
313502
144
urea
Urea
ME652709
1176
C00086
328888
189
benzoic acid
Benzoic acid
ME652592
243
C00180
339214
179
caprylic acid
Caprylic acid
ME652596
379
C06423
343457
201
ethanolamine
Ethanolamine
ME652612
700
C00189
343800
174
glycerol
Glycerol
ME652626
753
C00116
344466
205
phosphate
Phosphoric acid
ME652677
1004
C00009
345365
314
leucine
Leucine
ME652646
6106
C00123
345845
158
epsilon-caprolactam
Epsilon-caprolactam
ME652608
7768
C06593
353069
170
2-deoxyerythritol
2-Deoxyerythritol
ME652567
18302
-
354388
117
1-deoxyerythritol
1-Deoxyerythritol
ME652560
-
-
357129
117
isoleucine
Isoleucine
ME652639
6306
C00407
359251
158
proline
Proline
ME652682
145742
C00148
364716
142
glycine
Glycine
ME652629
750
C00037
368707
248
succinic acid
Succinic acid
ME652696
1110
C00042
370608
247
2,3-dihydroxypyridine
2,3-Dihydroxypyridine
ME652566
28115
-
373895
240
glyceric acid
Glyceric acid
ME652625
439194
C00258
377495
189
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME652565
13120901
-
384796
292
uracil
Uracil
ME652708
1174
C00106
385735
241
itaconic acid
Itaconic acid
ME652641
811
C00490
386511
147
fumaric acid
Fumaric acid
ME652615
444972
C00122
390016
245
serine
Serine
ME652691
5951
C00065
395020
218
pelargonic acid
Pelargonic acid
ME652675
8158
C01601
399229
117
erythronic acid lactone
Erythrono-1,4-lactone
ME652611
5325915
C02341
407495
247
threonine
Threonine
ME652700
6288
C00188
409568
218
thymine
Thymine
ME652702
1135
C00178
420133
255
glutaric acid
Glutaric acid
ME652624
743
C00489
421260
261
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME652568
150929
-
433456
189
beta-alanine
beta-Alanine
ME652593
239
C00099
435564
248
threose
Threose
ME652701
5460672
C06463
446119
205
capric acid
Capric acid
ME652595
2969
C01571
451790
229
aminomalonate
Aminomalonic acid
ME652585
100714
C00872
455754
218
citramalic acid
Citramalic acid
ME652599
1081
C00815
456203
247
2-ketoglucose dimethylacetal NIST
D-Glucosone
ME652572
159630
-
456913
234
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME652705
11137200
C01157
460662
158
malic acid
Malic acid
ME652651
222656
C00711
463180
233
parabanic acid NIST
Parabanic acid
ME652673
67126
C00802
464991
100
threitol
Threitol
ME652698
169019
C16884
467595
217
nicotinamide
Niacinamide
ME652664
936
C00153
469827
179
erythritol
Erythritol
ME652609
222285
C00503
471922
217
adipic acid
Adipic acid
ME652582
196
C06104
474435
111
n-acetylglutamate
N-Acetylglutamic acid
ME652661
70914
C00624
477776
158
aspartic acid
Aspartic acid
ME652589
5960
C00049
480387
232
methionine
Methionine
ME652656
6137
C00073
483560
176
oxoproline
Oxoproline
ME652671
7405
C01879
485935
156
isothreonic acid 1
D-Threonic acid
ME652640
5280363
C00639
489385
292
threonic acid
Threonic acid
ME652699
151152
C01620
497572
292
creatinine
Creatinine
ME652603
588
C00791
502599
115
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME652570
43
C02630
506306
247
alpha-ketoglutarate
2-Oxoglutaric acid
ME652584
51
C00026
507392
198
dodecanol
Dodecanol
ME652607
8193
C02277
507619
243
erythronic acid
Erythronic acid
ME652610
2781043
-
512029
217
3-hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME652576
1662
C03761
521554
247
ornithine
Ornithine
ME652669
6262
C00077
527113
142
deoxypentitol
1-Deoxy-D-ribitol
ME652606
270738
-
528774
231
glutamic acid
Glutamic acid
ME652622
33032
C00025
529100
246
phenylalanine
Phenylalanine
ME652676
6140
C00079
537804
218
5-aminovaleric acid
5-Aminopentanoic acid
ME652578
138
C00431
540425
174
lyxose
Lyxose
ME652650
65550
C00476
541086
217
xylose
Xylose
ME652715
135191
C00181
543267
103
lauric acid
Lauric acid
ME652645
3893
C02679
547906
117
asparagine
Asparagine
ME652588
6267
C00152
553078
188
ribose
Ribose
ME652688
5779
C00121
553135
217
xylulose NIST
Xylulose
ME652716
5289590
C00312
553450
173
phthalic acid
Phthalic acid
ME652679
1017
C01606
567345
147
xylitol
Xylitol
ME652714
6912
C00379
567437
217
lyxitol
L-Arabitol
ME652649
439255
C00532
573587
217
ribitol
Ribitol
ME652686
6912
C00474
575497
217
fucose 1
Fucose
ME652614
439650
C02095
578299
160
aconitic acid
cis-Aconitic acid
ME652581
643757
C00417
586815
229
3,6-anhydro-D-glucose
3,6-Anhydro-glucose
ME652575
16069993
C06478
587617
231
putrescine
Putrescine
ME652684
1045
C00138
588119
174
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME652574
16069996
C06474
590619
231
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME652628
754
C03189
590747
357
glucose-1-phosphate
Glucose 1-phosphate
ME652621
65533
C00103
594647
217
ribonic acid
Ribonic acid
ME652687
5460677
C01685
599680
292
glutamine
Glutamine
ME652623
5961
C00064
600315
156
phosphoethanolamine
Phosphoethanolamine
ME652678
1015
C00346
604335
299
methionine sulfoxide
Methionine sulfoxide
ME652657
847
C02989
605401
128
azelaic acid
Azelaic acid
ME652590
2266
C08261
610651
317
shikimic acid
Shikimic acid
ME652692
8742
C00493
611100
204
isocitric acid
Isocitric acid
ME652638
1198
C00451
617338
245
citric acid
Citric acid
ME652600
311
C00158
617342
273
hypoxanthine
Hypoxanthine
ME652635
790
C00262
619128
265
citrulline
Citrulline
ME652601
9750
C00327
621404
157
pinitol
Pinitol
ME652680
164619
C03844
622466
260
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME652559
64960
C07326
633969
217
quinic acid
Quinic acid
ME652685
6508
C00296
634900
345
fructose
Fructose
ME652613
5984
C02336
641863
307
mannose
Mannose
ME652655
18950
C00159
645856
205
galactose
Galactose
ME652617
6036
C00984
648756
319
glucose
Glucose
ME652620
5793
C00221
659798
319
mannitol
Mannitol
ME652654
6251
C00392
663215
319
lysine
Lysine
ME652648
5962
C00047
663483
156
hexuronic acid
Hexuronic acid
ME652633
152867
-
667373
160
sorbitol
Sorbitol
ME652693
453
C00794
667922
217
tyrosine
Tyrosine
ME652707
6057
C00082
671252
218
ascorbic acid
Vitamin C
ME652587
54670067
C00072
672898
332
conduritol-beta-epoxide
Conduritol epoxide
ME652602
9989541
-
675635
318
1-hexadecanol
Cetyl alcohol
ME652561
2682
C00823
679596
299
galactonic acid
Galactonic acid
ME652616
128869
C00880
690882
292
gluconic acid
Gluconic acid
ME652619
10690
C00800
693148
333
N-acetylornithine
N-Acetylornithine
ME652663
439232
C00437
697086
174
saccharic acid
Glucaric acid
ME652690
33037
C00818
699211
333
xanthine
Xanthine
ME652713
1188
C00385
701688
353
hexitol
Sorbitol
ME652632
453
C00392
704741
217
palmitic acid
Palmitic acid
ME652672
985
C00249
713809
313
N-acetyl-D-galactosamine
N-Acetylgalactosamine
ME652659
35717
C05021
720730
319
N-acetylmannosamine
N-Acetyl-mannosamine
ME652662
11096158
C00645
722897
129
myo-inositol
Myo-inositol
ME652658
892
C00137
730022
305
uric acid
Uric acid
ME652710
1175
C00366
730691
441
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME652660
24139
C03878
746341
319
heptadecanoic acid
Margaric acid
ME652631
10465
-
751309
117
octadecanol
Stearyl alcohol
ME652667
8221
D01924
755409
327
linoleic acid
Linoleic acid
ME652647
5280450
C01595
777414
150
oleic acid
Oleic acid
ME652668
445639
C00712
779120
339
tryptophan
Tryptophan
ME652706
6305
C00078
780482
202
stearic acid
Stearic acid
ME652695
5281
C01530
787622
117
cystine
Cystine
ME652604
595
C01420
804619
218
glycerol-3-galactoside
Galactosylglycerol
ME652627
16048618
C05401
805227
204
pseudo uridine
Pseudouridine
ME652683
15047
C02067
813899
217
s(-)-willardiine
(S)-Willardiine
ME652689
5123
C03584
815363
204
nonadecanoic acid
Nonadecylic acid
ME652666
12591
C16535
822782
117
glucoheptulose
Glucoheptulose
ME652618
102926
C02076
828606
217
inositol-4-monophosphate
Inositol 4-phosphate
ME652637
440043
C03546
845976
315
dehydroabietic acid
Dehydroabietic acid
ME652605
15618
C12078
850374
239
arachidic acid
Arachidic acid
ME652586
10467
C06425
856421
117
uridine
Uridine
ME652711
6029
C00299
856709
224
inosine
Inosine
ME652636
6021
C00294
897184
230
1-monopalmitin
MG 16:0/0:0/0:0
ME652563
3084463
C01885
901749
129
sucrose
Sucrose
ME652697
5988
C00089
915139
271
behenic acid
Behenic acid
ME652591
8215
C08281
920648
117
lactulose
Lactulose
ME652644
3278275
C07064
929908
204
maltose 1
Maltose
ME652653
439186
C00208
946601
204
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME652562
5319879
-
952623
129
1-monostearin
MG 18:0/0:0/0:0
ME652564
24699
D01947
959214
129
squalene
Squalene
ME652694
5280370
C00751
976237
95
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