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Return to study ST002038 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME472426
-
-
-
-
5-6-Dihydrothymine
Dihydrothymine
ME472403
-
-
-
-
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME472431
-
-
-
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME472402
-
-
-
-
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME472412
-
-
-
-
6-Hydroxykynurenic acid
6-Hydroxykynurenic acid
ME472436
-
-
-
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME472406
-
-
-
-
acetyl-carnitine (acyl-C2)
CAR 2:0
ME472448
-
-
-
-
Acetylcholine
Acetylcholine
ME472445
-
-
-
-
acyl-C18:2 (Linoleoyl-CoA)
Linoleoyl-CoA
ME472466
-
-
-
-
acyl-C18:2-OH
CAR 18:2;OH
ME472467
-
-
-
-
acyl-C20:4
CAR 20:4
ME472468
-
-
-
-
acyl-C4-DC
CAR DC4:0
ME472452
-
-
-
-
acyl-C4-OH
CAR 4:0;OH
ME472451
-
-
-
-
acyl-C5-OH
CAR 5:0;OH
ME472453
-
-
-
-
acyl-C6-DC
CAR DC6:0
ME472455
-
-
-
-
Adenine
Adenine
ME472394
-
-
-
-
Adenosine
Adenosine
ME472393
-
-
-
-
Allantoate
Allantoic acid
ME472401
-
-
-
-
Argininosuccinate
Argininosuccinic acid
ME472420
-
-
-
-
butanoyl-l-carnitine (acyl-C4)
CAR 4:0
ME472450
-
-
-
-
Carnosine
Carnosine
ME472423
-
-
-
-
Choline
Choline
ME472446
-
-
-
-
Creatine
Creatine
ME472424
-
-
-
-
Creatinine
Creatinine
ME472425
-
-
-
-
Cys-Gly
Cys-Gly
ME472407
-
-
-
-
Cytidine
Cytidine
ME472397
-
-
-
-
Cytosine
Cytosine
ME472398
-
-
-
-
dCMP
dCMP
ME472396
-
-
-
-
Dimethylglycine
Dimethylglycine
ME472414
-
-
-
-
Dopamine
Dopamine
ME472440
-
-
-
-
Ectoine
Ectoine
ME472442
-
-
-
-
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME472410
-
-
-
-
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME472408
-
-
-
-
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME472409
-
-
-
-
gamma-L-Glutamylputrescine
gamma-Glutamylputrescine
ME472411
-
-
-
-
glycine
Glycine
ME472380
-
-
-
-
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME472439
-
-
-
-
Guanidinoacetate
Guanidoacetic acid
ME472428
-
-
-
-
Guanine
Guanine
ME472395
-
-
-
-
Hexadecenoyl-carnitine (acyl-C16:1)
CAR 16:1
ME472464
-
-
-
-
hexanoyl-L-carnitine (acyl-C6)
CAR 6:0
ME472454
-
-
-
-
Hypotaurine
Hypotaurine
ME472429
-
-
-
-
Hypoxanthine
Hypoxanthine
ME472399
-
-
-
-
Indole
Indole
ME472432
-
-
-
-
Indole-3-acetaldehyde
Indoleacetaldehyde
ME472433
-
-
-
-
Indole-3-acetate
Indoleacetic acid
ME472434
-
-
-
-
Indoxyl
Indoxyl
ME472435
-
-
-
-
Inositol 1-2-3-5-6-pentakisphosphate
-
ME472443
-
-
-
-
L-alanine
Alanine
ME472373
-
-
-
-
L-arginine
Arginine
ME472374
-
-
-
-
L-asparagine
Asparagine
ME472375
-
-
-
-
L-aspartate
Aspartic acid
ME472376
-
-
-
-
L-Carnitine
Carnitine
ME472447
-
-
-
-
L-Citrulline
Citrulline
ME472419
-
-
-
-
L-cysteine
Cysteine
ME472377
-
-
-
-
L-cystine
Cystine
ME472392
-
-
-
-
L-glutamate
Glutamic acid
ME472378
-
-
-
-
L-glutamine
Glutamine
ME472379
-
-
-
-
L-histidine
Histidine
ME472381
-
-
-
-
L-Homocysteine
Homocysteine
ME472413
-
-
-
-
L-leucine/isoleucine
Leucine/Isoleucine
ME472382
-
-
-
-
L-lysine
Lysine
ME472383
-
-
-
-
L-methionine
Methionine
ME472384
-
-
-
-
L-Methionine S-oxide
Methionine sulfoxide
ME472430
-
-
-
-
L-octanoylcarnitine (acyl-C8)
CAR 8:0
ME472456
-
-
-
-
L-Palmitoylcarnitine (acyl-C16)
CAR 16:0
ME472463
-
-
-
-
L-phenylalanine
Phenylalanine
ME472385
-
-
-
-
L-proline
Proline
ME472386
-
-
-
-
L-serine
Serine
ME472387
-
-
-
-
L-threonine
Threonine
ME472388
-
-
-
-
L-tryptophan
Tryptophan
ME472389
-
-
-
-
L-tyrosine
Tyrosine
ME472390
-
-
-
-
L-valine
Valine
ME472391
-
-
-
-
N-Acetylornithine
N-Acetylornithine
ME472427
-
-
-
-
NAD+
NAD
ME472405
-
-
-
-
N-formyl kynurenine
N-Formyl-L-kynurenine
ME472437
-
-
-
-
Nicotinamide
Niacinamide
ME472404
-
-
-
-
octenoyl-l-carnitine (acyl-C8:1)
-
ME472457
-
-
-
-
O-Decenoyl-L-carnitine (acyl-C10:1)
-
ME472458
-
-
-
-
O-dodecanoyl-carnitine (acyl-C12)
CAR 12:0
ME472459
-
-
-
-
O-dodecenoyl-carnitine (acyl-C12:1)
CAR 12:1
ME472460
-
-
-
-
O-octadecenoyl-L-carnitine (acyl-C18:1)
CAR 18:1
ME472465
-
-
-
-
Ornithine
Ornithine
ME472418
-
-
-
-
O-tetradecanoyl-L-carnitine (acyl-C14)
CAR 14:0
ME472461
-
-
-
-
Phosphoserine
Phosphoserine
ME472415
-
-
-
-
Picolinic acid
Picolinic acid
ME472438
-
-
-
-
propionyl-carnitine (acyl-C3)
CAR 3:0
ME472449
-
-
-
-
Putrescine
Putrescine
ME472421
-
-
-
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME472416
-
-
-
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME472417
-
-
-
-
Serotonin
Serotonin
ME472441
-
-
-
-
Spermidine
Spermidine
ME472422
-
-
-
-
Sphingosine
Sphingosine
ME472444
-
-
-
-
Tetradecenoyl Carnitine (acyl-C14:1)
CAR 14:1
ME472462
-
-
-
-
Xanthine
Xanthine
ME472400
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-4-beta-D-Xylan
-
ME472526
-
-
-
-
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME472495
-
-
-
-
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME472509
-
-
-
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME472504
-
-
-
-
2-Oxoglutarate
2-Oxoglutaric acid
ME472503
-
-
-
-
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME472522
-
-
-
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME472533
-
-
-
-
3-Sulfocatechol
3-Sulfocatechol
ME472535
-
-
-
-
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME472520
-
-
-
-
5-Oxoproline
Pyroglutamic acid
ME472515
-
-
-
-
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME472560
-
-
-
-
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME472559
-
-
-
-
Adenylosuccinic acid
Adenylsuccinic acid
ME472487
-
-
-
-
ADP
ADP
ME472470
-
-
-
-
ADP-D-ribose
ADP-ribose
ME472489
-
-
-
-
Adrenic acid (7,10,13,16-Docosatetraenoic acid)
Adrenic acid
ME472557
-
-
-
-
a-Linolenic acid (Octadecatrienoic acid)
Octadecatrienoic acid
ME472553
-
-
-
-
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME472525
-
-
-
-
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME472512
-
-
-
-
AMP
AMP
ME472471
-
-
-
-
Arachidonic acid (Eicosatetraenoic acid)
Eicosatetraenoic acid
ME472554
-
-
-
-
Ascorbate
Vitamin C
ME472517
-
-
-
-
ATP
ATP
ME472469
-
-
-
-
Bilirubin
Bilirubin
ME472561
-
-
-
-
CDP
CDP
ME472475
-
-
-
-
Citrate
Citric acid
ME472502
-
-
-
-
CMP
CMP
ME472476
-
-
-
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME472528
-
-
-
-
Cystathionine
Cystathionine
ME472521
-
-
-
-
D-Arabitol
Arabitol
ME472501
-
-
-
-
Decanoic acid (caprate)
Capric acid
ME472545
-
-
-
-
Dehydroascorbate
Dehydroascorbic acid
ME472518
-
-
-
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME472510
-
-
-
-
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME472494
-
-
-
-
D-Glucose
Glucose
ME472492
-
-
-
-
D-Glucose 6/1-phosphate
Hexose 6-phosphate
ME472493
-
-
-
-
Diphosphate
Pyrophosphate
ME472491
-
-
-
-
Docosahexaenoic acid
Docosahexaenoic acid
ME472556
-
-
-
-
Dodecanoic acid (lauric acid)
Lauric acid
ME472546
-
-
-
-
D-Rhamnose
Rhamnose
ME472500
-
-
-
-
D-Ribose
Ribose
ME472499
-
-
-
-
dTMP
dTMP
ME472477
-
-
-
-
Eicosapentaenoic acid
Eicosapentaenoic acid
ME472558
-
-
-
-
Ethanolamine phosphate
Phosphoethanolamine
ME472540
-
-
-
-
Fumarate
Fumaric acid
ME472506
-
-
-
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME472519
-
-
-
-
GDP
GDP
ME472472
-
-
-
-
Glutathione
Glutathione
ME472513
-
-
-
-
Glutathione disulfide
Oxidized glutathione
ME472514
-
-
-
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME472539
-
-
-
-
GMP
GMP
ME472473
-
-
-
-
Guanosine
Guanosine
ME472474
-
-
-
-
Heptanoic acid
Heptylic acid
ME472542
-
-
-
-
Hexadecanoic acid (palmitic acid)
Palmitic acid
ME472548
-
-
-
-
Hexadecenoic acid (Palmitoleic acid)
Palmitoleic acid
ME472550
-
-
-
-
IMP
IMP
ME472483
-
-
-
-
Indolepyruvate
Indolepyruvate
ME472537
-
-
-
-
Inosine
Inosine
ME472484
-
-
-
-
Lactate
Lactic acid
ME472497
-
-
-
-
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)
Linoleic acid
ME472552
-
-
-
-
Malate
Malic acid
ME472507
-
-
-
-
Mannitol/Sorbitol
Sorbitol
ME472498
-
-
-
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME472530
-
-
-
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME472523
-
-
-
-
N-Glycoloyl-neuraminate
N-Glycoloylneuraminic acid
ME472524
-
-
-
-
Nonanoic acid (pelargonate)
Pelargonic acid
ME472544
-
-
-
-
Octadecenoic acid (Oleic acid)
Oleic acid
ME472551
-
-
-
-
Octanoic acid (caprylate)
Caprylic acid
ME472543
-
-
-
-
Oxaloacetate
Oxaloacetic acid
ME472508
-
-
-
-
Phosphate
Phosphoric acid
ME472490
-
-
-
-
Phosphocreatine
Phosphocreatine
ME472529
-
-
-
-
Pyruvate
Pyruvic acid
ME472496
-
-
-
-
quinolinic acid
Quinolinic acid
ME472538
-
-
-
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME472536
-
-
-
-
(S)(+)-Allantoin
Allantoin
ME472485
-
-
-
-
Sedoheptulose 1/7-phosphate
-
ME472511
-
-
-
-
S-Glutathionyl-L-cysteine
S-Glutathionyl-cysteine
ME472516
-
-
-
-
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME472541
-
-
-
-
Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraeno...
Stearidonic acid
ME472555
-
-
-
-
Succinate
Succinic acid
ME472505
-
-
-
-
Taurine
Taurine
ME472532
-
-
-
-
Tetradecanoic acid (myristic acid)
Myristic acid
ME472547
-
-
-
-
Tetradecenoic acid (myristoleic acid)
Myristoleic acid
ME472549
-
-
-
-
Thiosulfate
-
ME472534
-
-
-
-
Thymidine
Thymidine
ME472478
-
-
-
-
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME472531
-
-
-
-
UDP
UDP
ME472480
-
-
-
-
UDP-glucose
UDP-glucose
ME472488
-
-
-
-
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME472527
-
-
-
-
UMP
UMP
ME472481
-
-
-
-
Uracil
Uracil
ME472482
-
-
-
-
Urate
Uric acid
ME472486
-
-
-
-
UTP
UTP
ME472479
-
-
-
-
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