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Return to study ST000784 main page
Analysis: HILIC POSITIVE ION MODE/Waters XBridge amide column
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Methyl-Histidine
1-Methylhistidine
ME218511
-
C01152
6.2
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME218527
-
C02918
5.7
-
1-Methyl tryptophan
1-Methyltryptophan
ME218542
-
C16831
5.4
-
2-Aminooctanoic acid
2-Aminocaprylic acid
ME218546
-
-
5
-
2-Aminoheptanoic acid
2-Aminoheptanoic acid
ME218545
-
-
6.3
-
2-Hydroxypyridine
2-Hydroxypyridine
ME218519
-
C02502
5.3
-
2-Methylglutarate
2-Methylglutaric acid
ME218552
-
-
6.3
-
Adenosine 3,5-cyclic monophosphate
3',5' cyclic AMP
ME218501
-
C00575
6.4
-
Deoxycarnitine
3-Dehydroxycarnitine
ME218548
-
-
6.5
-
3-Hydroxy-3-methylglutaryl-CoA
3-Hydroxy-3-methylglutaryl-CoA
ME218488
-
C00356
6.7
-
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME218528
-
C02946
5.2
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME218500
-
C00555
6.4
-
4 Hydroxybutyric acid
4-Hydroxybutyric acid
ME218506
-
C00989
5.7
-
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME218535
-
C05635
5.7
-
7-methylguanosine
7-Methylguanosine
ME218543
-
C20674
6.3
-
Acetylcholine
Acetylcholine
ME218515
-
C01996
5.4
-
Adenine
Adenine
ME218469
-
C00147
6.8
-
Adenosine diphosphate ribose
ADP-ribose
ME218481
-
C00301
7.2
-
5-Aminoimidazole-4-carboxamide ribotide
AICAR
ME218533
-
C04677
6.8
-
Alanine
Alanine
ME218476
-
C00213
6.3
-
Adenosine 5-monophosphate
AMP
ME218446
-
C00020
6.8
-
Arginine
Arginine
ME218453
-
C00062
6.3
-
Argininosuccinate
Argininosuccinic acid
ME218529
-
C03406
5.5
-
Asparagine
Asparagine
ME218471
-
C00152
6.6
-
Aspartame
Aspartame
ME218538
-
C11045
6.4
-
Acetylcarnitine
CAR 2:0
ME218520
-
C02571
5.3
-
Butyrylcarnitine
CAR 4:0
ME218526
-
C02862
4.3
-
Isovalerylcarnitine
CAR 4:0;3Me
ME218551
-
-
6.6
-
Heptanoyl carnitine
CAR 7:0
ME218550
-
-
7
-
Octanoylcarnitine
CAR 8:0
ME218525
-
C02838
4.3
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME218497
-
C00438
6.2
-
Carnitine
Carnitine
ME218483
-
C00318
5.6
-
Choline
Choline
ME218465
-
C00114
5.7
-
Phospho Choline
Choline phosphate
ME218502
-
C00588
6.5
-
Citrulline
Citrulline
ME218484
-
C00327
6.5
-
Cytidine 5 -Monophosphate
CMP
ME218452
-
C00055
6.8
-
Creatinine
Creatinine
ME218505
-
C00791
5.8
-
Cystathionine
Cystathionine
ME218518
-
C02291
6.7
-
Cysteine
Cysteine
ME218462
-
C00097
6.8
-
Cystine
Cystine
ME218499
-
C00491
6.9
-
Cytosine
Cytosine
ME218491
-
C00380
6
-
Deoxycytidine monophosphate
dCMP
ME218478
-
C00239
6.3
-
Deoxyguanosine monophosphate
dGMP
ME218489
-
C00362
6.8
-
Dimethylarginine
Dimethylarginine
ME218531
-
C03626
6.2
-
N, N Dimethyl Glycine
Dimethylglycine
ME218508
-
C01026
5.4
-
Ergothioneine
Ergothioneine
ME218534
-
C05570
6.3
-
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME218549
-
C01040
5.9
-
4-Aminobutyrate
gamma-Aminobutyric acid
ME218487
-
C00334
5.6
-
Glutamyl alanine
Glu-Ala
ME218532
-
C03738
6.4
-
Glucosamine
Glucosamine
ME218486
-
C00329
6.5
-
D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME218536
-
C06156
3.8
-
Glutamic acid
Glutamic acid
ME218448
-
C00025
6.2
-
Glutamine
Glutamine
ME218454
-
C00064
6.9
-
Glutathione, Reduced
Glutathione
ME218451
-
C00051
6.1
-
Glycine
Glycine
ME218449
-
C00037
6.2
-
Glycine-Glycine
Gly-Gly
ME218516
-
C02037
5.7
-
Gly-Leu
Gly-Leu
ME218517
-
C02155
6.2
-
Guanosine monophosphate
GMP
ME218468
-
C00144
7
-
Guanosine
Guanosine
ME218492
-
C00387
6.1
-
Histamine
Histamine
ME218493
-
C00388
6.7
-
Histidine
Histidine
ME218504
-
C00768
6.9
-
Homocysteine
Homocysteine
ME218473
-
C00155
6.1
-
Homoserine
Homoserine
ME218480
-
C00263
6.3
-
3-Hydroxykynurenine
Hydroxykynurenine
ME218524
-
C02794
6.5
-
Hypoxanthine
Hypoxanthine
ME218479
-
C00262
5.7
-
Isoleucine
Isoleucine
ME218494
-
C00407
5.6
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME218477
-
C00233
6.7
-
Kynurenic acid
Kynurenic acid
ME218513
-
C01717
5.5
-
Kynurenine
Kynurenine
ME218485
-
C00328
5.7
-
1-Stearoyl-sn-glycero-3-phosphocholine
LPC 18:0/0:0
ME218544
-
-
4.4
-
Lysine
Lysine
ME218450
-
C00047
6.3
-
Malonyl-CoA
Malonyl-CoA
ME218459
-
C00083
5.8
-
Myo-Inositol
Myo-inositol
ME218467
-
C00137
6.6
-
Myristate
Myristic acid
ME218553
-
C06424
7
-
Myristoleic acid
Myristoleic acid
ME218537
-
C08322
3.5
-
N-Acetyl Lysine
N(2)-Acetyllysine
ME218523
-
C02727
6.1
-
N-acetylalanine
N-Acetylalanine
ME218510
-
C01073
5.9
-
N-Acetylaspartylglutamate
N-Acetyl-Asp-Glu
ME218539
-
C12270
5.6
-
N-acetyl-glutamine
N-Acetylglutamine
ME218503
-
C00624
6.2
-
N-Acetyl Methionine
N-Acetylmethionine
ME218521
-
C02712
5.7
-
N-Acetylornithine
N-Acetylornithine
ME218496
-
C00437
6.2
-
Nicotinamide adenine dinucleotide
NAD
ME218445
-
C00003
6.9
-
Nicotinamide
Niacinamide
ME218472
-
C00153
5.3
-
Nicotinamide ribonucleotide
Nicotinamide ribotide
ME218498
-
C00455
6.6
-
Methyl alanine
N-Methylalanine
ME218522
-
C02721
5.4
-
2-Methylglutamate
N-Methyl-glutamic acid
ME218509
-
C01046
5.9
-
Nonadecanoic acid
Nonadecylic acid
ME218541
-
C16535
3.3
-
Phenylalanine
Phenylalanine
ME218457
-
C00079
5.6
-
3-Phosphoserine
Phosphoserine
ME218507
-
C01005
6.5
-
DL-Pipecolic acid
Pipecolic acid
ME218495
-
C00408
6.3
-
Proline
Proline
ME218470
-
C00148
6.2
-
Purine
Purine
ME218540
-
C15587
5.6
-
Putrescine
Putrescine
ME218466
-
C00134
7.1
-
5-Oxoproline
Pyroglutamic acid
ME218514
-
C01879
6.4
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME218447
-
C00021
6.7
-
Serine
Serine
ME218455
-
C00065
6.4
-
Spermidine
Spermidine
ME218482
-
C00315
7.5
-
S-ribosyl-L-homocysteine
S-Ribosylhomocysteine
ME218530
-
C03539
6.6
-
Succinyl-CoA
Succinyl-CoA
ME218461
-
C00091
5.9
-
Thiamine
Thiamine
ME218490
-
C00378
6.8
-
Threonine
Threonine
ME218475
-
C00188
6.3
-
Tryptophan
Tryptophan
ME218456
-
C00078
5.8
-
Tyrosine
Tyrosine
ME218458
-
C00082
6.1
-
Uridine 5'-monophosphate
UMP
ME218463
-
C00105
6.8
-
Uracil
Uracil
ME218464
-
C00106
6.6
-
Urea
Urea
ME218460
-
C00086
5.6
-
Valine
Valine
ME218474
-
C00183
5.9
-
Aspartate-phenyalanine
-
ME218547
-
-
5.5
-
Inositol 1-phosphate
-
ME218512
-
C01177
6.7
-
Phenylalanine-Glutamate
-
ME218554
-
-
6.5
-
Analysis: HILIC NEGATIVE ION MODE/Waters XBridge amide column
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Anthranilate
2-Aminobenzoic acid
ME218562
-
C00093
5.8
-
Ketoglutarate
2-Oxoglutaric acid
ME218556
-
C00026
6.7
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME218570
-
C00191
6.6
-
1,3-Bisphospho-D-glycerate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME218574
-
C00227
6.8
-
3-Phosphoglycerate
3-Phosphoglyceric acid
ME218571
-
C00196
3.8
-
Dihydroorotate
4,5-Dihydroorotic acid
ME218578
-
C00299
5.8
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME218579
-
C00337
6.2
-
Acetyl phosphate
Acetylphosphate
ME218573
-
C00208
6.6
-
Adenosine triphosphate
ATP
ME218555
-
C00008
6.8
-
Cholesterol sulfate
Cholesterol sulfate
ME218592
-
C05382
6.8
-
2'-Deoxyguanosine 5'-diphosphate
dGDP
ME218580
-
C00345
6.9
-
Farnesyl diphosphate
Farnesyl diphosphate
ME218582
-
C00383
6.5
-
Fructose 6-phosphate
Fructose 6-phosphate
ME218590
-
C02052
7
-
sedoheptulose-1,7-phosphate
Fructose 6-phosphate
ME218591
-
C05345
6.5
-
Fumaric acid
Fumaric acid
ME218564
-
C00117
5.4
-
Glucuronic acid
Glucuronic acid
ME218569
-
C00186
6.2
-
Hexose-Phosphate
Hexose 6-phosphate
ME218588
-
C02672
6.4
-
Hydroxyisocaproic acid
Hydroxyisocaproic acid
ME218593
-
C18043
3.3
-
Inosine
Inosine
ME218576
-
C00245
6.3
-
Lactate
Lactic acid
ME218568
-
C00167
6.5
-
Malic acid
Malic acid
ME218566
-
C00127
6.8
-
Malonate
Malonic acid
ME218581
-
C00361
6.8
-
Maltose
Maltose
ME218572
-
C00197
5.8
-
Maltotetraose
Maltotetraose
ME218587
-
C01042
6.4
-
N-Acetyl Aspartic acid
N-Acetylaspartic acid
ME218586
-
C00668
6.5
-
Glutathione disulfide
Oxidized glutathione
ME218565
-
C00122
6.3
-
Glucose 6-phophate
p-Aminobenzoic acid
ME218585
-
C00568
5.8
-
P-aminobenzoate
p-Aminobenzoic acid
ME218584
-
C00493
3.8
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME218560
-
C00074
6.3
-
Ribose-5-phosphate
Ribose 5-phosphate
ME218563
-
C00108
5.8
-
Shikimate
Shikimic acid
ME218583
-
C00448
5.4
-
Glycerol-3-Phosphate
sn-Glycero-3-phosphate
ME218589
-
C00093
6.6
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME218561
-
-
5.4
-
Succinate
Succinic acid
ME218558
-
C00042
6.4
-
Taurine
Taurine
ME218575
-
C00236
4.1
-
UDP-D-glucose
UDP-glucose
ME218557
-
C00029
6.5
-
UDP-D-glucuronate
UDP-glucuronic acid
ME218567
-
C00149
6.5
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME218559
-
C00043
6.4
-
Uric acid
Uric acid
ME218595
-
C00366
8.8
-
Uridine
Uridine
ME218577
-
C00294
6
-
Octulose-monophosphate
-
ME218594
-
-
6.8
-
Analysis: HILIC POSITIVE ION MODE/Phenomenex Luna NH2 column
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
S-methyl-5-thioadenosine
5'-Methylthioadenosine
ME218600
-
C00170
2
-
Adenosine
Adenosine
ME218601
-
C00212
2.5
-
Amino Adipic acid
Aminoadipic acid
ME218612
-
C00956
5.9
-
Aspartic acid
Aspartic acid
ME218597
-
C00049
2.2
-
Betaine
Betaine
ME218609
-
C00719
2.9
-
Betaine aldehyde
Betaine aldehyde
ME218606
-
C00576
1.7
-
Propeonyl Carnitine
CAR 3:0
ME218614
-
C03017
2.8
-
2-Methylbutyrylcarnitine
CAR 4:0;2Me
ME218616
-
-
2.4
-
P-coumaric acid
cis-p-Coumaric acid
ME218610
-
C00811
3.5
-
Creatine
Creatine
ME218603
-
C00300
1.3
-
Guanidinoacetic acid
Guanidoacetic acid
ME218607
-
C00581
3.1
-
Homovanillic acid
Homovanillic acid
ME218615
-
C05582
3.4
-
Imidazole
Imidazole
ME218613
-
C01589
1.8
-
Indole
Indole
ME218605
-
C00463
2.6
-
Methionine
Methionine
ME218598
-
C00073
3.2
-
Methylcysteine
Methylcysteine
ME218618
-
-
2.4
-
N-Acetylglucosamine
N-Acetylglucosamine
ME218599
-
C00140
2.4
-
Pantothenic acid
Pantothenic acid
ME218611
-
C00864
4.8
-
Riboflavin
Riboflavin
ME218602
-
C00255
2.3
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME218596
-
C00019
3.5
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME218608
-
C00670
3.7
-
Xanthine
Xanthine
ME218604
-
C00385
1.8
-
Aminophosphovaleric acid
-
ME218617
-
-
2.6
-
Analysis: HILIC NEGATIVE ION MODE/Phenomenex Luna NH2 column
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Hydroxy glutarate
2-Hydroxyglutaric acid
ME218629
-
C02630
6.1
-
Shikimate-3-phosphate
3-Phosphoshikimic acid
ME218630
-
C03175
14.2
-
Carbamoyl phosphate
Carbamoylphosphate
ME218622
-
C00169
10.3
-
Citrate
Citric acid
ME218621
-
C00158
14.3
-
Dihomo-gamma-linolenic acid
Dihomo-gamma-linolenic acid
ME218631
-
C03242
3.2
-
Fructose
Fructose
ME218632
-
C10906
3.2
-
Geranyl diphosphate
Geranyl diphosphate
ME218625
-
C00341
14.8
-
D-Gluconic acid
Gluconic acid
ME218623
-
C00257
5.9
-
Glucose
Glucose
ME218624
-
C00267
3.2
-
Mannose
Mannose
ME218626
-
C00936
3
-
Methylmalonic acid
Methylmalonic acid
ME218628
-
C02170
14
-
N-acetyl serine
N-Acetylserine
ME218627
-
C00979
5.6
-
Pyruvate
Pyruvic acid
ME218619
-
C00022
3.2
-
Ribose
Ribose
ME218620
-
C00121
5
-
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