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Return to study ST000062 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
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME652425
43
C02630
506306
247
alpha-ketoglutarate
2-Oxoglutaric acid
ME652435
51
C00026
507392
198
2-ketoisocaproic acid
Ketoleucine
ME652427
70
C00233
310761
89
beta-alanine
beta-Alanine
ME652443
239
C00099
435564
248
benzoic acid
Benzoic acid
ME652442
243
C00180
339067
179
butane-2,3-diol NIST
2,3-Butanediol
ME652445
262
C03046
205778
117
citric acid
Citric acid
ME652449
311
C00158
617342
273
caprylic acid
Caprylic acid
ME652447
379
C06423
343457
201
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME652429
441
C01089
278829
191
hexitol
Sorbitol
ME652474
453
C00392
704741
217
sorbitol
Sorbitol
ME652538
453
C00794
667922
217
hippuric acid
Hippuric acid
ME652476
464
C01586
636836
206
creatinine
Creatinine
ME652452
588
C00791
502599
115
cysteine
Cysteine
ME652453
594
C00097
500158
220
cystine
Cystine
ME652455
595
C01420
804619
218
ethanolamine
Ethanolamine
ME652458
700
C00189
343800
174
3-phosphoglycerate
3-Phosphoglyceric acid
ME652430
724
C00597
610734
227
glutaric acid
Glutaric acid
ME652466
743
C00489
421260
261
glycine
Glycine
ME652471
750
C00037
368707
248
glycerol
Glycerol
ME652468
753
C00116
344466
205
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME652470
754
C03189
590747
357
glycolic acid
Glycolic acid
ME652472
757
C00160
227636
177
hydroxylamine
Hydroxylamine
ME652479
787
C00192
253158
146
hypoxanthine
Hypoxanthine
ME652480
790
C00262
619128
265
indole-3-acetate
Indoleacetic acid
ME652481
802
C00954
684929
202
methionine sulfoxide
Methionine sulfoxide
ME652502
847
C02989
637588
128
pipecolinic acid
Pipecolic acid
ME652526
849
C00408
404121
156
myo-inositol
Myo-inositol
ME652503
892
C00137
730022
305
N-acetyl-5-hydroxytryptamine
N-Acetylserotonin
ME652505
903
C00978
846132
93
nicotinamide
Niacinamide
ME652509
936
C00153
469827
179
nicotinic acid
Nicotinic acid
ME652510
938
C00253
353934
180
oxalic acid
Oxalic acid
ME652515
971
C00209
260513
190
palmitic acid
Palmitic acid
ME652517
985
C00249
713809
313
phenylethylamine
Phenylethylamine
ME652523
1001
C05332
510327
174
phosphate
Phosphoric acid
ME652524
1004
C00009
345365
314
phosphoethanolamine
Phosphoethanolamine
ME652525
1015
C00346
604335
299
pyruvic acid
Pyruvic acid
ME652531
1060
C00022
213805
174
succinic acid
Succinic acid
ME652541
1110
C00042
370608
247
taurine
Taurine
ME652543
1123
C00245
556690
326
uric acid
Uric acid
ME652553
1175
C00366
730691
441
urea
Urea
ME652552
1176
C00086
328888
189
isocitric acid
Isocitric acid
ME652483
1198
C00451
617338
245
azelaic acid
Azelaic acid
ME652440
2266
C08261
610651
317
p-cresol
P-Cresol
ME652520
2879
C01468
280360
165
capric acid
Capric acid
ME652446
2969
C01571
451790
229
lauric acid
Lauric acid
ME652490
3893
C02679
547906
117
stearic acid
Stearic acid
ME652540
5281
C01530
787622
117
ribose
Ribose
ME652535
5779
C00121
553135
217
glucose
Glucose
ME652463
5793
C00221
659798
319
alanine
Alanine
ME652433
5950
C00041
243971
116
serine
Serine
ME652536
5951
C00065
395020
218
aspartic acid
Aspartic acid
ME652439
5960
C00049
480387
232
glutamine
Glutamine
ME652465
5961
C00064
600315
156
lysine
Lysine
ME652494
5962
C00047
663483
156
fructose
Fructose
ME652459
5984
C02336
641863
307
sucrose
Sucrose
ME652542
5988
C00089
912704
271
cholesterol
Cholesterol
ME652448
5997
C00187
1078536
329
uridine
Uridine
ME652554
6029
C00299
856709
224
tyrosine
Tyrosine
ME652551
6057
C00082
671252
218
adenosine-5-monophosphate
AMP
ME652432
6083
C00020
1038688
169
leucine
Leucine
ME652491
6106
C00123
345845
158
methionine
Methionine
ME652501
6137
C00073
483560
176
phenylalanine
Phenylalanine
ME652522
6140
C00079
537804
218
mannitol
Mannitol
ME652499
6251
C00392
663215
319
ornithine 4tms
Ornithine
ME652514
6262
C00077
619548
142
asparagine
Asparagine
ME652438
6267
C00152
553078
188
histidine
Histidine
ME652477
6274
C00135
663790
154
valine
Valine
ME652555
6287
C00183
313502
144
threonine
Threonine
ME652546
6288
C00188
409568
218
tryptophan
Tryptophan
ME652550
6305
C00078
780482
202
isoleucine
Isoleucine
ME652485
6306
C00407
359251
158
quinic acid
Quinic acid
ME652532
6508
C00296
634900
345
ribitol
Ribitol
ME652533
6912
C00474
575497
217
xylitol
Xylitol
ME652556
6912
C00379
567437
217
oxoproline
Oxoproline
ME652516
7405
C01879
485935
156
pelargonic acid
Pelargonic acid
ME652521
8158
C01601
399229
117
dodecanol
Dodecanol
ME652456
8193
C02277
507619
243
behenic acid
Behenic acid
ME652441
8215
C08281
920648
117
octadecanol
Stearyl alcohol
ME652512
8221
D01924
755409
327
shikimic acid
Shikimic acid
ME652537
8742
C00493
611100
204
citrulline
Citrulline
ME652450
9750
C00327
621404
157
heptadecanoic acid
Margaric acid
ME652473
10465
-
751309
117
gluconic acid
Gluconic acid
ME652462
10690
C00800
693148
333
maleimide
Maleimide
ME652496
10935
C07272
245118
154
N-acetylglycine NIST
N-Acetylglycine
ME652507
10972
-
356109
174
myristic acid
Myristic acid
ME652504
11005
C06424
634414
117
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME652424
11266
C05984
259536
131
piperidone
2-Piperidinone
ME652527
12665
-
275603
156
pseudo uridine
Pseudouridine
ME652529
15047
C02067
813899
217
mannose
Mannose
ME652500
18950
C00159
645856
205
1-monostearin
MG 18:0/0:0/0:0
ME652419
24699
D01947
959214
129
2,3-dihydroxypyridine
2,3-Dihydroxypyridine
ME652421
28115
-
373895
240
glutamic acid
Glutamic acid
ME652464
33032
C00025
529100
246
3-aminoisobutyric acid
3-Aminoisobutanoic acid
ME652428
64956
C05145
309837
102
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME652416
64960
C07326
633969
217
parabanic acid NIST
Parabanic acid
ME652519
67126
C00802
464991
100
n-acetylglutamate
N-Acetylglutamic acid
ME652506
70914
C00624
477776
158
tocopherol gamma-
gamma-Tocopherol
ME652548
92729
C02483
1026121
223
indole-3-lactate
Indolelactic acid
ME652482
92904
C02043
764586
202
alloxanoic acid NIST
Alloxanoic acid
ME652434
94146
-
785329
331
lactamide
Lactamide
ME652487
94220
-
265698
232
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME652426
98009
-
309587
131
aminomalonate
Aminomalonic acid
ME652436
100714
C00872
455754
218
lactic acid
Lactic acid
ME652488
107689
C01432
217657
191
2,4-diaminobutyric acid minor1
2,4-Diaminobutyric acid
ME652422
134490
C03283
441621
100
xylose
Xylose
ME652557
135191
C00181
546699
307
proline
Proline
ME652528
145742
C00148
364716
142
2-deoxytetronic acid
3,4-Dihydroxybutyric acid
ME652423
150929
-
433456
189
threonic acid
Threonic acid
ME652545
151152
C01620
497572
292
hexuronic acid
Hexuronic acid
ME652475
152867
-
667373
160
isoheptadecanoic acid NIST
15-Methylpalmitic acid
ME652484
164860
-
737927
117
threitol
Threitol
ME652544
169019
C16884
467595
217
beta-sitosterol
Sitosterol
ME652444
222284
C01753
1128225
129
erythritol
Erythritol
ME652457
222285
C00503
471922
217
malic acid
Malic acid
ME652497
222656
C00711
463180
233
maltose 1
Maltose
ME652498
439186
C00208
946601
204
glyceric acid
Glyceric acid
ME652467
439194
C00258
377495
189
N-acetylornithine
N-Acetylornithine
ME652508
439232
C00437
697086
174
lyxitol
L-Arabitol
ME652495
439255
C00532
573587
217
cysteine-glycine
Cys-Gly
ME652454
439498
C01419
715335
220
fucose 1
Fucose
ME652460
439650
C02095
578299
160
arachidonic acid
Arachidonic acid
ME652437
444899
C00219
837115
91
fumaric acid
Fumaric acid
ME652461
444972
C00122
390775
245
palmitoleic acid
Palmitoleic acid
ME652518
445638
C08362
706508
117
oleic acid
Oleic acid
ME652513
445639
C00712
779120
339
tocopherol alpha-
alpha-Tocopherol
ME652547
638015
C00376
1067809
237
aconitic acid
cis-Aconitic acid
ME652431
643757
C00417
586815
229
pyrophosphate
Pyrophosphate
ME652530
644102
C00013
327517
110
levoglucosan
Glucosan
ME652492
2724705
-
569637
204
1-monopalmitin
MG 16:0/0:0/0:0
ME652418
3084463
C01885
901749
129
lactulose
Lactulose
ME652489
3278275
C07064
929908
204
isothreonic acid 1
D-Threonic acid
ME652486
5280363
C00639
489385
292
squalene
Squalene
ME652539
5280370
C00751
976237
95
linoleic acid
Linoleic acid
ME652493
5280450
C01595
777414
150
N-methylalanine
N-Methylalanine
ME652511
5288725
C02721
286855
130
xylulose NIST
Xylulose
ME652558
5289590
C00312
553450
173
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME652417
5319879
-
952623
129
ribonic acid
Ribonic acid
ME652534
5460677
C01685
599680
292
conduritol-beta-epoxide
Conduritol epoxide
ME652451
9989541
-
675635
318
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME652549
11137200
C01157
484934
140
2,3-dihydroxybutanoic acid NIST
2,3-Dihydroxybutanoic acid
ME652420
13120901
-
384796
292
glycerol-3-galactoside
Galactosylglycerol
ME652469
16048618
C05401
805227
204
hydroxycarbamate NIST
Hydroxycarbamic acid
ME652478
16639161
-
325948
278
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