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Return to study ST002244 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Acetoacetate
Acetoacetic acid
ME541444
96
C00164
-
-
Adenine
Adenine
ME541446
190
C00147
-
-
Benzoic acid
Benzoic acid
ME541450
243
C00539
-
-
Betaine
Betaine
ME541451
247
C00719
-
-
Choline
Choline
ME541456
305
C00114
-
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME541439
457
C02918
-
-
Hippuric acid
Hippuric acid
ME541470
464
C01586
-
-
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME541436
535
C01234
-
-
Creatine
Creatine
ME541458
586
C00300
-
-
Creatinine
Creatinine
ME541459
588
C00791
-
-
Cytosine
Cytosine
ME541460
597
C00380
-
-
Dimethylglycine
Dimethylglycine
ME541462
673
C01026
-
-
Ethanolamine
Ethanolamine
ME541463
700
C00189
-
-
Glycine
Glycine
ME541467
750
C00037
-
-
Guanidineacetic acid
Guanidoacetic acid
ME541468
763
C00581
-
-
Histamine
Histamine
ME541471
774
C00388
-
-
Hypoxanthine
Hypoxanthine
ME541474
790
C00262
-
-
Indole
Indole
ME541475
798
C00463
-
-
Pipecolic acid
Pipecolic acid
ME541493
849
C00408
-
-
Nicotinamide
Niacinamide
ME541488
936
C00153
-
-
Putrescine
Putrescine
ME541496
1045
C00134
-
-
Taurine
Taurine
ME541500
1123
C00245
-
-
Thymine
Thymine
ME541503
1135
C00178
-
-
Uracil
Uracil
ME541507
1174
C00106
-
-
Theophylline
Theophylline
ME541501
2153
C07130
-
-
Urea
Urea
ME541508
2447
C00086
-
-
Kynurenic acid
Kynurenic acid
ME541479
3845
C01717
-
-
"1,7-Dimethylxanthine"
Paraxanthine
ME541435
4687
C13747
-
-
Trigonelline
Trigonelline
ME541505
5570
C01004
-
-
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME541504
5810
C01157
-
-
Serine
Serine
ME541499
5951
C00716
-
-
Glutamine
Glutamine
ME541466
5961
C00064
-
-
Tyrosine
Tyrosine
ME541506
6057
C00082
-
-
Leucine
Leucine
ME541482
6106
C00123
-
-
2-Aminoisobutyric acid
Aminoisobutyric acid
ME541440
6119
C03665
-
-
Methionine
Methionine
ME541483
6137
C00073
-
-
Phenylalanine
Phenylalanine
ME541492
6140
C00079
-
-
Ornithine
Ornithine
ME541490
6262
C00077
-
-
Histidine
Histidine
ME541472
6274
C00135
-
-
Valine
Valine
ME541510
6287
C00183
-
-
Threonine
Threonine
ME541502
6288
C00188
-
-
Isoleucine
Isoleucine
ME541477
6306
C00407
-
-
Arginine
Arginine
ME541448
6322
C00062
-
-
2-quinolinecarboxylic acid
Quinaldic acid
ME541442
7124
C06325
-
-
Pyroglutamic acid
Pyroglutamic acid
ME541498
7405
C01879
-
-
Homoarginine
Homoarginine
ME541473
9085
C01924
-
-
Pyrimidine
Pyrimidine
ME541497
9260
C00396
-
-
Citrulline
Citrulline
ME541457
9750
C00327
-
-
1-Methyladenosine
1-Methyladenosine
ME541437
27476
C02494
-
-
Glutamic acid
Glutamic acid
ME541464
33032
C00025
-
-
Glutamic acid gamma methyl ester
Glutamic acid gamma-methyl ester
ME541465
68662
NA
-
-
1-Methylhistidine
1-Methylhistidine
ME541438
92105
C01152
-
-
N-epsilon-Acetyllysine
N6-Acetyllysine
ME541487
92832
C02727
-
-
Propionyl-L-Carnitine
CAR 3:0
ME541495
107738
C03017
-
-
L-beta-Homoproline
-
ME541481
123784
NA
-
-
Proline
Proline
ME541494
145742
C00148
-
-
Isobutyryl-L-Carnitine
CAR 3:0;2Me
ME541476
168379
NA
-
-
Lauroyl-L-Carnitine
CAR 12:0
ME541480
168381
NA
-
-
N-Acetyl-L-lysine
N(2)-Acetyllysine
ME541486
192590
C12989
-
-
Butyryl-L-Carnitine
CAR 4:0
ME541454
439829
C02862
-
-
"N,N,N-Trimethyllysine"
N-6-Trimethyllysine
ME541485
440121
C03793
-
-
Urocanic acid
Urocanic acid
ME541509
736715
C00785
-
-
Carnitine
Carnitine
ME541455
2724480
C00318
-
-
Hexanoyl-L-Carnitine
CAR 6:0
ME541469
3246938
NA
-
-
Biliverdin
Biliverdin
ME541453
5353439
C00500
-
-
Isovaleryl-L-Carnitine
CAR 4:0;3Me
ME541478
6426851
NA
-
-
2-Methylbutyryl-L-Carnitine
CAR 4:0;2Me
ME541441
6426901
NA
-
-
Alanine betaine
Stachydrine
ME541447
7016563
C10172
-
-
Acetyl-L-Carnitine
CAR 2:0
ME541445
7045767
C02571
-
-
Decanoyl-L-Carnitine
CAR 10:0
ME541461
10245190
NA
-
-
Octanoyl-L-Carnitine
CAR 8:0
ME541489
11953814
C02838
-
-
Palmitoyl-L-Carnitine
CAR 16:0
ME541491
11953816
C02990
-
-
Asparagine butyl ester
-
ME541449
13783308
NA
-
-
5-aminovaleric acid betaine
N,N,N-trimethyl-5-aminovalerate
ME541443
14274897
NA
-
-
Bilirubin
Bilirubin
ME541452
21252250
C00486
-
-
Myristoyl-L-Carnitine
CAR 14:0
ME541484
53477791
NA
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
"2,3-Dihydroxybenzoic acid"
2-Pyrocatechuic acid
ME541535
19
C00196
-
-
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME541549
43
C02630
-
-
2-Ketoglutaric acid
2-Oxoglutaric acid
ME541546
51
C00026
-
-
"3,4-Dihydroxybenzoic acid"
Protocatechuic acid
ME541536
72
C00230
-
-
3-Hydroxyisobutyric acid
3-Hydroxyisobutyric acid
ME541523
87
C06001
-
-
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME541529
135
C00156
-
-
Citric acid
Citric acid
ME541562
311
C00158
-
-
Salicylic acid
Salicylic acid
ME541530
338
C00805
-
-
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME541524
441
C01089
-
-
2-Aminoadipic acid
alpha-Aminoadipic acid
ME541564
469
C00956
-
-
Malic acid
Malic acid
ME541552
525
C03668
-
-
Myo-inositol/Fructose
Myo-inositol
ME541520
892
C00137
-
-
Propionate
Propionic acid
ME541525
1032
C00163
-
-
Pyruvic acid
Pyruvic acid
ME541511
1060
C00022
-
-
Succinic acid
Succinic acid
ME541554
1110
C00042
-
-
Uric acid
Uric acid
ME541533
1175
C00366
-
-
Isocitric acid
Isocitric acid
ME541563
1198
C00311
-
-
3-Hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME541560
1662
C03761
-
-
3-Methoxy-L-tyrosine
3-Methoxytyrosine
ME541559
1670
NA
-
-
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME541519
1826
C05635
-
-
Azelaic acid
Azelaic acid
ME541540
2266
C08261
-
-
3-Indolepropionic acid
3-Indolepropionic acid
ME541542
3744
NA
-
-
Aspartic acid
Aspartic acid
ME541566
5960
C00049
-
-
Glutamine
Glutamine
ME541513
5961
C00064
-
-
N-Acetyl-methionine
N-Acetylmethionine
ME541518
6180
C02712
-
-
Dulcitol/MANNITOL
Mannitol
ME541517
6251
C00392
-
-
Asparagine
Asparagine
ME541565
6267
C00152
-
-
Tryptophan
Tryptophan
ME541515
6305
C00078
-
-
Quinic acid
Quinic acid
ME541556
6508
C00296
-
-
Pantothenic acid
Pantothenic acid
ME541521
6613
C00864
-
-
4-Pyridoxic acid
4-Pyridoxic acid
ME541541
6723
C00847
-
-
Pyroglutamic acid
Pyroglutamic acid
ME541548
7405
C01879
-
-
3-Indoxyl sulfate
Indoxyl sulfate
ME541543
10258
NA
-
-
Gluconate
Gluconic acid
ME541558
10690
C00257
-
-
N-Acetylglycine
N-Acetylglycine
ME541547
10972
NA
-
-
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME541522
11266
C05984
-
-
3-Methylglutaric acid
Methylglutaric acid
ME541550
12284
NA
-
-
Glutamic acid
Glutamic acid
ME541512
33032
C00025
-
-
Lactic acid
Lactic acid
ME541526
61503
C00186
-
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME541567
65065
C01042
-
-
N-Acetyl-serine
N-Acetylserine
ME541555
65249
NA
-
-
Cystine
Cystine
ME541568
67678
C00491
-
-
3-Guanidinopropionic acid
3-Guanidinopropanoic acid
ME541514
67701
C03065
-
-
N-Acetyl-L-alanine
N-Acetylalanine
ME541528
88064
NA
-
-
Glucuronic acid
Glucuronic acid
ME541557
94715
C00191
-
-
2-Deoxy-D-glucose
2-Deoxy-glucose
ME541537
108223
NA
-
-
Kynurenine
Kynurenine
ME541516
161166
C00328
-
-
Glyceric acid
Glyceric acid
ME541527
439194
C00258
-
-
Mandelic acid
Mandelic acid
ME541534
439616
C01984
-
-
Fumaric acid
Fumaric acid
ME541553
444972
C00122
-
-
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME541551
445063
C19910
-
-
Docosahexaenoic acid(DHA)
DHA
ME541544
445580
C06429
-
-
trans-Aconitic acid
trans-Aconitic acid
ME541561
643757
C00417
-
-
Citraconic acid
Citraconic acid
ME541531
643798
C02226
-
-
N-Formyl-L-methionine
N-Formylmethionine
ME541539
6995182
C03145
-
-
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME541532
12310288
NA
-
-
Pregnenolone sulfate
Pregnenolone sulfate
ME541545
20845972
NA
-
-
Ascorbic acid
Vitamin C
ME541538
54670067
C01041
-
-
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