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Return to study ST001671 main page
Analysis: Reversed phase POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
PC 10:0/10:0
ME390514
-
-
-
-
1,3-DIAMINOPROPANE
1,3-Diaminopropane
ME390283
-
-
-
-
1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE
-
ME390328
-
-
-
-
1,6-ANHYDRO-B-GLUCOSE
Glucosan
ME390374
-
-
-
-
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
1-Aminocyclopropanecarboxylic acid
ME390287
-
-
-
-
1-METHYL-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOL...
Salsolinol
ME390404
-
-
-
-
1-METHYLADENOSINE
1-Methyladenosine
ME390478
-
-
-
-
1-METHYLGUANIDINE
Methylguanidine
ME390282
-
-
-
-
1-METHYL-HYDANTOIN
N-Methylhydantoin
ME390299
-
-
-
-
1-METHYLNICOTINAMIDE
1-Methyl nicotinamide
ME390336
-
-
-
-
2-(4-HYDROXYPHENYL)PROPIONIC ACID
4-Hydroxyphenyl-2-propionic acid
ME390380
-
-
-
-
2,6-DIAMINOHEPTANEDIOIC ACID
2,6-Diaminopimelic acid
ME390418
-
-
-
-
2-AMINO-2-METHYLPROPANOIC ACID|2-AMINOBUTYRIC ACID...
2-Aminobutyric acid
ME390257
-
-
-
-
2-AMINOBENZOIC ACID
2-Aminobenzoic acid
ME390335
-
-
-
-
2-AMINOPHENOL
2-Aminophenol
ME390293
-
-
-
-
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE
dCMP
ME390489
-
-
-
-
2'-DEOXYURIDINE 5'-MONOPHOSPHATE
dUMP
ME390490
-
-
-
-
2-ETHYL-2-HYDROXYBUTYRIC ACID
2-Ethyl-2-hydroxybutyric acid
ME390325
-
-
-
-
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE
2-Ethyl-3-hydroxy-4H-pyran-4-one
ME390341
-
-
-
-
2-HYDROXY-2-METHYLBUTYRIC ACID
2-Hydroxy-2-methyl-butyric acid
ME390305
-
-
-
-
2-HYDROXY-4-METHYLPENTANOIC ACID
Leucinic acid
ME390277
-
-
-
-
2-HYDROXYBUTYRIC ACID|ALPHA-HYDROXYISOBUTYRIC ACID
2-Hydroxyisobutyric acid
ME390255
-
-
-
-
2-HYDROXYHEXANEDIOIC ACID|3-HYDROXY-3-METHYLGLUTAR...
-
ME390275
-
-
-
-
2-HYDROXYPHENYLACETIC ACID
2-Hydroxyphenylacetic acid
ME390253
-
-
-
-
2-ISOPROPYLMALIC ACID
2-Isopropylmalic acid
ME390399
-
-
-
-
2-METHOXYCINNAMALDEHYDE
-
ME390375
-
-
-
-
2-METHYLBUTYRYLGLYCINE
2-Methylbutyrylglycine
ME390367
-
-
-
-
3,4-DIHYDROXY-PHENYLALANINE
DOPA
ME390424
-
-
-
-
3-AMINOSALICYLIC ACID
3-Aminosalicylic acid
ME390360
-
-
-
-
3-CHLORO-TYROSINE_PEAK2
3-Chlorotyrosine
ME390437
-
-
-
-
3'-CMP
3'-CMP
ME390495
-
-
-
-
3-HYDROXY-2-METHYL-4-PYRONE
Maltol
ME390312
-
-
-
-
3-HYDROXYBUTYRIC ACID
3-Hydroxybutyric acid
ME390259
-
-
-
-
3-HYDROXYGLUTARIC ACID
3-Hydroxyglutaric acid
ME390354
-
-
-
-
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME390445
-
-
-
-
3-HYDROXYPROPIONIC ACID
Hydroxypropionic acid
ME390286
-
-
-
-
3-METHOXYTYRAMINE
3-Methoxytyramine
ME390382
-
-
-
-
3-METHYLADENINE
3-Methyladenine
ME390357
-
-
-
-
3-PHENYLLACTIC ACID
Phenyllactic acid
ME390281
-
-
-
-
3-SULFINO-ALANINE
3-Sulfino-alanine
ME390359
-
-
-
-
4,6-DIOXOHEPTANOIC ACID
Succinylacetone
ME390366
-
-
-
-
4-ACETAMIDOBUTANOIC ACID
4-Acetamidobutanoic acid
ME390347
-
-
-
-
4-AMINOBENZOIC ACID
p-Aminobenzoic acid
ME390332
-
-
-
-
4-AMINOBUTANOIC ACID
gamma-Aminobutyric acid
ME390290
-
-
-
-
4-ETHYLOCTANOIC ACID
4-Ethyloctanoic acid
ME390387
-
-
-
-
4-GUANIDINOBUTANOIC ACID
4-Guanidinobutanoic acid
ME390348
-
-
-
-
4-HYDROXYPHENYL ACETIC ACID
4-Hydroxyphenylacetic acid
ME390358
-
-
-
-
4-HYDROXYPROLINE|5-AMINOLEVULINIC ACID
-
ME390252
-
-
-
-
4-NITRO-PHENYLALANINE
-
ME390434
-
-
-
-
4-PYRIDOXIC ACID
4-Pyridoxic acid
ME390406
-
-
-
-
4-QUINOLINECARBOXYLIC ACID
4-Quinolinecarboxylic acid
ME390388
-
-
-
-
5,6-DIHYDROURACIL
Dihydrouracil
ME390298
-
-
-
-
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSI...
-
ME390468
-
-
-
-
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSY...
AICAR-P
ME390499
-
-
-
-
5-AMINOPENTANOIC ACID|VALINE_PEAK1
Valine
ME390267
-
-
-
-
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME390462
-
-
-
-
5-HYDROXYINDOLE-3-ACETIC ACID
5-Hydroxyindoleacetic acid
ME390419
-
-
-
-
5-HYDROXYLYSINE
5-Hydroxylysine
ME390273
-
-
-
-
5-HYDROXY-TRYPTOPHAN
5-Hydroxy-tryptophan
ME390442
-
-
-
-
5-METHYLCYTOSINE
5-Methylcytosine
ME390310
-
-
-
-
5'-METHYLTHIOADENOSINE
5'-Methylthioadenosine
ME390485
-
-
-
-
5-METHYLURIDINE_PEAK1
Ribothymidine
ME390466
-
-
-
-
5-PHENYLVALERIC ACID
5-Phenylvaleric acid
ME390402
-
-
-
-
6-HYDROXYNICOTINIC ACID
6-Hydroxynicotinic acid
ME390340
-
-
-
-
8-HYDROXYQUINOLINE
Quinolin-8-ol
ME390345
-
-
-
-
ACETYL-CARNITINE
CAR 2:0
ME390427
-
-
-
-
ADENINE
Adenine
ME390326
-
-
-
-
ADENOSINE
Adenosine
ME390472
-
-
-
-
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE
2',3' cyclic AMP
ME390496
-
-
-
-
ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE
3',5' cyclic AMP
ME390497
-
-
-
-
AGMATINE
Agmatine
ME390317
-
-
-
-
ALANINE|BETA-ALANINE|SARCOSINE
Sarcosine
ME390276
-
-
-
-
ALLO-ISOLEUCINE|ISOLEUCINE
Isoleucine
ME390266
-
-
-
-
ALLOTHREONINE|HOMOSERINE|THREONINE
Threonine
ME390272
-
-
-
-
ALPHA-AMINOADIPIC ACID
alpha-Aminoadipic acid
ME390371
-
-
-
-
ALPHA-GALACTOSE 1-PHOSPHATE|ALPHA-GLUCOSE 1-PHOSPH...
Mannose 6-phosphate
ME390265
-
-
-
-
ALPHA-N-ACETYL-GLUTAMINE_PEAK2
N-Acetylglutamine
ME390410
-
-
-
-
AMILORIDE_PEAK1
Amiloride
ME390449
-
-
-
-
AMILORIDE_PEAK2
Amiloride
ME390450
-
-
-
-
AMINO(4-HYDROXYCYCLOHEXYL)ACETIC ACID
-
ME390390
-
-
-
-
AMPICILLIN
Ampicillin
ME390503
-
-
-
-
ANDROSTERONE
Androsterone
ME390483
-
-
-
-
ARGININE
Arginine
ME390394
-
-
-
-
ASPARAGINE
Asparagine
ME390322
-
-
-
-
ASPARTIC ACID
Aspartic acid
ME390262
-
-
-
-
ASP-PHE
Asp-Phe
ME390477
-
-
-
-
BETAINE
Betaine
ME390302
-
-
-
-
BETA-LACTOSE|LACTULOSE|MALTOSE|MELIBIOSE|SUCROSE
Sucrose
ME390270
-
-
-
-
BIOTIN
Biotin
ME390460
-
-
-
-
BIS(2-ETHYLHEXYL)PHTHALATE
Bis(2-ethylhexyl)phthalate
ME390511
-
-
-
-
CADAVERINE
Cadaverine
ME390288
-
-
-
-
CARNITINE
Carnitine
ME390373
-
-
-
-
CARNOSINE
Carnosine
ME390446
-
-
-
-
CHLOROGENIC ACID
Chlorogenic acid
ME390504
-
-
-
-
CHOLINE
Choline
ME390291
-
-
-
-
CIMETIDINE_PEAK1
Cimetidine
ME390463
-
-
-
-
CINNAMALDEHYDE
Cinnamaldehyde
ME390324
-
-
-
-
CINNAMIC ACID
trans-Cinnamic acid
ME390355
-
-
-
-
CITRULLINE
Citrulline
ME390398
-
-
-
-
COPROPORPHYRIN III
Coproporphyrin III
ME390515
-
-
-
-
CORTISOL
Cortisol
ME390506
-
-
-
-
COTININE
Cotinine
ME390400
-
-
-
-
CREATINE
Creatine
ME390320
-
-
-
-
CREATININE
Creatinine
ME390297
-
-
-
-
CYSTATHIONINE
Cystathionine
ME390443
-
-
-
-
CYSTEINE
Cysteine
ME390306
-
-
-
-
CYSTINE
Cystine
ME390454
-
-
-
-
CYTIDINE
Cytidine
ME390458
-
-
-
-
CYTIDINE 2',3'-CYCLIC MONOPHOSPHATE
2',3' cyclic CMP
ME390488
-
-
-
-
CYTOSINE
Cytosine
ME390294
-
-
-
-
DAMP
dAMP
ME390498
-
-
-
-
DEOXYCARNITINE
3-Dehydroxycarnitine
ME390349
-
-
-
-
DEOXYCYTIDINE
Deoxycytidine
ME390447
-
-
-
-
DEOXYURIDINE
Deoxyuridine
ME390448
-
-
-
-
DETHIOBIOTIN
Dethiobiotin
ME390436
-
-
-
-
DIBUTYL SEBACATE
-
ME390493
-
-
-
-
DOPAMINE_PEAK1
Dopamine
ME390362
-
-
-
-
DOXYLAMINE
Doxylamine
ME390475
-
-
-
-
ELAIDIC ACID|OLEIC ACID|PETROSELINIC ACID
Petroselinic acid
ME390261
-
-
-
-
ERYTHRITOL|THREITOL
Threitol
ME390308
-
-
-
-
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME390342
-
-
-
-
ETHYL 4-AMINOBENZOIC ACID
Benzocaine
ME390377
-
-
-
-
FORMONONETIN
Formononetin
ME390473
-
-
-
-
FRUCTOSE|GULOSE|MANNOSE|MYO-INOSITOL|SORBOSE
Sorbose
ME390264
-
-
-
-
FUMARIC ACID
Fumaric acid
ME390300
-
-
-
-
GALACTITOL|MANNITOL
Mannitol
ME390250
-
-
-
-
GALACTOSAMINE|GLUCOSAMINE|MANNOSAMINE
2-Amino-2-deoxy-D-mannose
ME390249
-
-
-
-
GALLIC ACID
Gallic acid
ME390386
-
-
-
-
GLUCONO-1,5-LACTONE|GULONIC ACID GAMA-LACTONE
-
ME390274
-
-
-
-
GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME390470
-
-
-
-
GLUCOSAMINE 6-SULFATE
Glucosamine 6-sulfate
ME390469
-
-
-
-
GLUTAMIC ACID|N-METHYL-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME390256
-
-
-
-
GLUTAMINE
Glutamine
ME390351
-
-
-
-
GLYCOCHOLIC ACID
Glycocholic acid
ME390513
-
-
-
-
GLYCYL-GLYCINE
Gly-Gly
ME390323
-
-
-
-
GUANOSINE
Guanosine
ME390479
-
-
-
-
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE
3',5' cyclic GMP
ME390502
-
-
-
-
HEPTADECANOIC ACID
Margaric acid
ME390476
-
-
-
-
HIPPURIC ACID
Hippuric acid
ME390403
-
-
-
-
HISTAMINE
Histamine
ME390295
-
-
-
-
HISTIDINE
Histidine
ME390363
-
-
-
-
HISTIDINOL
L-Histidinol
ME390343
-
-
-
-
HOMOARGININE
Homoarginine
ME390412
-
-
-
-
HOMOCITRULLINE
Homocitrulline
ME390417
-
-
-
-
HOMOCYSTEINE THIOLACTONE
L-Homocysteine thiolactone
ME390301
-
-
-
-
HYPOXANTHINE
Hypoxanthine
ME390329
-
-
-
-
INDOLE-3-ETHANOL
Tryptophanol
ME390372
-
-
-
-
INDOLEACETIC ACID
Indoleacetic acid
ME390397
-
-
-
-
INDOLEACRYLIC ACID
Indoleacrylic acid
ME390409
-
-
-
-
INDOLELACTIC ACID
Indolelactic acid
ME390430
-
-
-
-
INDOLEPROPIONIC ACID
Indolepropionic acid
ME390416
-
-
-
-
INDOLEPYRUVIC ACID
Indolepyruvic acid
ME390426
-
-
-
-
INOSINE
Inosine
ME390474
-
-
-
-
IS_2-FLUROPHENYLGLYCINE
-
ME390518
-
-
-
-
IS_BR-PHENYLALANINE
-
ME390526
-
-
-
-
IS_CL-PHENYLALANINE
-
ME390525
-
-
-
-
IS_D15-OCTANOIC ACID
-
ME390528
-
-
-
-
IS_D19-DECANOIC ACID
-
ME390530
-
-
-
-
IS_D27-TETRADECANOIC ACID
-
ME390533
-
-
-
-
IS_D3-LEUCINE
-
ME390520
-
-
-
-
IS_D3-METHIONINE
-
ME390519
-
-
-
-
IS_D5-HIPPURIC ACID (N-D5-BENZOYLGLYCINE)
-
ME390524
-
-
-
-
IS_D5-INDOLEACETIC ACID
-
ME390527
-
-
-
-
IS_D5-PHENYLALANINE_PEAK1
-
ME390521
-
-
-
-
IS_D5-PHENYLALANINE_PEAK2
-
ME390522
-
-
-
-
IS_D5-TRYPTOPHAN
-
ME390523
-
-
-
-
IS_D7-GLUCOSE
-
ME390517
-
-
-
-
IS_D9-CARNITINE
-
ME390516
-
-
-
-
IS_D9-PROGESTERONE
-
ME390529
-
-
-
-
IS_DI-N-OCTYL PHTHALATE-3,4,5,6-D4
-
ME390531
-
-
-
-
ISOVALERYLGLYCINE
Isovalerylglycine
ME390368
-
-
-
-
IS_TRIDECANOIC ACID
-
ME390532
-
-
-
-
KYNURENIC ACID
Kynurenic acid
ME390414
-
-
-
-
LAUROYLCARNITINE
CAR 12:0
ME390501
-
-
-
-
LEUCINE|NORLEUCINE
Norleucine
ME390263
-
-
-
-
LUMICHROME
Lumichrome
ME390455
-
-
-
-
LYSINE
Lysine
ME390352
-
-
-
-
MALIC ACID
Malic acid
ME390251
-
-
-
-
MALTOTRIOSE|RAFFINOSE
Raffinose
ME390268
-
-
-
-
MELATONIN
Melatonin
ME390452
-
-
-
-
METFORMIN
Metformin
ME390315
-
-
-
-
METHIONINE
Methionine
ME390356
-
-
-
-
METHOXAMINE
Methoxamine
ME390435
-
-
-
-
METHYLMALONIC ACID
Methylmalonic acid
ME390303
-
-
-
-
METHYL NICOTINIC ACID
-
ME390334
-
-
-
-
METHYLSUCCINIC ACID
Methylsuccinic acid
ME390321
-
-
-
-
N1-ACETYLSPERMINE
N1-Acetylspermine
ME390461
-
-
-
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME390428
-
-
-
-
N-ACETYL-5-HYDROXYTRYPTAMINE
N-Acetylserotonin
ME390440
-
-
-
-
N-ACETYL-ALANINE
N-Acetylalanine
ME390318
-
-
-
-
N-ACETYL-ASPARTIC ACID
N-Acetylaspartic acid
ME390395
-
-
-
-
N-ACETYL-GALACTOSAMINE|N-ACETYL-GLUCOSAMINE|N-ACET...
N-Acetyl-mannosamine
ME390269
-
-
-
-
N-ACETYL-GLUTAMIC ACID
N-Acetylglutamic acid
ME390415
-
-
-
-
N-ACETYL-LEUCINE
N-Acetylleucine
ME390389
-
-
-
-
N-ACETYL-METHIONINE
N-Acetylmethionine
ME390420
-
-
-
-
N-ACETYLMURAMIC ACID
N-Acetylmuramic acid
ME390484
-
-
-
-
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME390491
-
-
-
-
N-ACETYL-PHENYLALANINE
N-Acetylphenylalanine
ME390431
-
-
-
-
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME390316
-
-
-
-
N-ACETYLTRYPTOPHAN
N-Acetyl-tryptophan
ME390254
-
-
-
-
N-ACETYL-TYROSINE
N-Acetyltyrosine
ME390444
-
-
-
-
N-ALPHA-ACETYL-ASPARAGINE
N-Acetylasparagine
ME390392
-
-
-
-
N-ALPHA-ACETYL-LYSINE
N(2)-Acetyllysine
ME390411
-
-
-
-
N-AMIDINO-ASPARTIC ACID
Guanidinosuccinic acid
ME390396
-
-
-
-
N-BENZYLFORMAMIDE
N-benzylformamide
ME390327
-
-
-
-
N-BUTYRYLGLYCINE
N-Butyrylglycine
ME390346
-
-
-
-
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME390413
-
-
-
-
N-FORMYL-METHIONINE
N-Formylmethionine
ME390401
-
-
-
-
NICOTINAMIDE
Niacinamide
ME390307
-
-
-
-
NICOTINIC ACID|PICOLINIC ACID
Picolinic acid
ME390258
-
-
-
-
N-METHYL-GLUTAMATE
N-Methyl-glutamic acid
ME390370
-
-
-
-
N-METHYLNICOTINAMIDE
N-Methylnicotinamide
ME390331
-
-
-
-
N,N-DIMETHYLGLYCINE
Dimethylglycine
ME390289
-
-
-
-
O-ACETYL-SERINE
O-Acetylserine
ME390353
-
-
-
-
OMEGA-HYDROXYDODECANOIC ACID
12-Hydroxy lauric acid
ME390438
-
-
-
-
O-PHOSPHO-SERINE
DL-O-Phosphoserine
ME390408
-
-
-
-
OPHTHALMIC ACID
Ophthalmic acid
ME390482
-
-
-
-
ORNITHINE
Ornithine
ME390279
-
-
-
-
O-SUCCINYL-HOMOSERINE
o-Succinylhomoserine
ME390441
-
-
-
-
PALMITIC ACID
Palmitic acid
ME390464
-
-
-
-
PANTOTHENIC ACID
Pantothenic acid
ME390271
-
-
-
-
PENTANEDECANOIC ACID
Pentadecylic acid
ME390457
-
-
-
-
PHENOLSULFONIC ACID
4-Hydroxybenzenesulfonic acid
ME390391
-
-
-
-
PHENYLACETIC ACID
Phenylacetic acid
ME390330
-
-
-
-
PHENYLACETYL-GLUTAMINE
alpha-N-Phenylacetylglutamine
ME390471
-
-
-
-
PHENYLACETYLGLYCINE
Phenylacetylglycine
ME390422
-
-
-
-
PHENYLALANINE_PEAK1
Phenylalanine
ME390378
-
-
-
-
PHENYLALANINE_PEAK2
Phenylalanine
ME390379
-
-
-
-
PHOSPHOCHOLINE
Choline phosphate
ME390407
-
-
-
-
PHYLLOQUINONE
Vitamin K1
ME390512
-
-
-
-
PILOCARPINE_PEAK1
Pilocarpine
ME390433
-
-
-
-
PILOCARPINE_PEAK2
Pilocarpine
ME390432
-
-
-
-
PIPECOLIC ACID
Pipecolic acid
ME390314
-
-
-
-
PROLINE
Proline
ME390280
-
-
-
-
PROPIONYLCARNITINE
CAR 3:0
ME390439
-
-
-
-
PROPIONYLGLYCINE
Propionylglycine
ME390319
-
-
-
-
PTERIN
Pterin
ME390376
-
-
-
-
PUTRESCINE
Putrescine
ME390285
-
-
-
-
PYRIDOXAL
Pyridoxal
ME390381
-
-
-
-
PYRIDOXAMINE
Pyridoxamine
ME390384
-
-
-
-
PYRIDOXINE
Pyridoxine
ME390385
-
-
-
-
PYROGALLOL
1,2,3-Trihydroxybenzene
ME390311
-
-
-
-
PYROGLUTAMIC ACID
Pyroglutamic acid
ME390278
-
-
-
-
QUINIC ACID
Quinic acid
ME390421
-
-
-
-
RAC-GLYCEROL 1-MYRISTATE
MG 14:0
ME390487
-
-
-
-
RANITIDINE
Ranitidine
ME390492
-
-
-
-
RIBOFLAVIN
Riboflavin
ME390509
-
-
-
-
S-(5'-ADENOSYL)-L-HOMOCYSTEINE
S-Adenosylhomocysteine
ME390510
-
-
-
-
SALICYLHYDROXAMIC ACID
Salicylhydroxamic acid
ME390361
-
-
-
-
SALICYLIC ACID
Salicylic acid
ME390338
-
-
-
-
SELENOMETHIONINE
Selenomethionine
ME390423
-
-
-
-
SERINE
Serine
ME390292
-
-
-
-
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME390465
-
-
-
-
SPERMIDINE
Spermidine
ME390350
-
-
-
-
SPERMINE
Spermine
ME390425
-
-
-
-
SPHINGANINE
Sphinganine
ME390486
-
-
-
-
STEARIC ACID
Stearic acid
ME390481
-
-
-
-
SUBERIC ACID
Suberic acid
ME390393
-
-
-
-
SUBERYL GLYCINE
Suberylglycine
ME390451
-
-
-
-
SUCCINIC ACID
Succinic acid
ME390304
-
-
-
-
SULPIRIDE
Sulpiride
ME390500
-
-
-
-
TAMOXIFEN
Tamoxifen
ME390508
-
-
-
-
TAURINE
Taurine
ME390309
-
-
-
-
THYMIDINE
Thymidine
ME390456
-
-
-
-
THYMIDINE 5'-MONOPHOSPHATE
TMP
ME390494
-
-
-
-
THYMINE
Thymine
ME390313
-
-
-
-
THYROTROPIN RELEASING HORMONE
Thyrotropin releasing hormone
ME390505
-
-
-
-
TIGLYL GLYCINE
Tiglylglycine
ME390364
-
-
-
-
TRANEXAMIC ACID_PEAK1
Tranexamic acid
ME390365
-
-
-
-
TRIGONELLINE
Trigonelline
ME390333
-
-
-
-
TRIMETHYLAMINE N-OXIDE
Trimethylamine N-oxide
ME390284
-
-
-
-
TRYPTAMINE
Tryptamine
ME390369
-
-
-
-
TRYPTOPHAN
Tryptophan
ME390429
-
-
-
-
TRYPTOPHAN ETHYL ESTER
-
ME390453
-
-
-
-
TYRAMINE
Tyramine
ME390337
-
-
-
-
TYROSINE
Tyrosine
ME390405
-
-
-
-
URACIL
Uracil
ME390296
-
-
-
-
URIDINE
Uridine
ME390459
-
-
-
-
UROCANIC ACID
Urocanic acid
ME390339
-
-
-
-
VALINE_PEAK2
Valine
ME390260
-
-
-
-
VALPROIC ACID
Valproic acid
ME390344
-
-
-
-
VANILLIC ACID
Vanillic acid
ME390383
-
-
-
-
VITAMIN K4
-
ME390467
-
-
-
-
XANTHOSINE
Xanthosine
ME390480
-
-
-
-
XANTHOSINE 5'-MONOPHOSPHATE
XMP
ME390507
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,6-ANHYDRO-B-GLUCOSE
Glucosan
ME390660
-
-
-
-
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
1-Aminocyclopropanecarboxylic acid
ME390589
-
-
-
-
2,4-DIHYDROXYBUTANOIC ACID
2,4-Dihydroxybutanoic acid
ME390610
-
-
-
-
2-(4-HYDROXYPHENYL)PROPIONIC ACID_PEAK1|TROPIC ACI...
-
ME390556
-
-
-
-
2,6-DIAMINOHEPTANEDIOIC ACID
2,6-Diaminopimelic acid
ME390705
-
-
-
-
2-AMINO-2-METHYLPROPANOIC ACID|2-AMINOBUTYRIC ACID...
Dimethylglycine
ME390554
-
-
-
-
2-AMINOBENZOIC ACID
2-Aminobenzoic acid
ME390628
-
-
-
-
2-DEOXY-GLUCOSE
2-Deoxy-glucose
ME390662
-
-
-
-
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATE|ADENOSINE 5'-MO...
AMP
ME390574
-
-
-
-
2-HYDROXY-3-METHYLPENTANOIC ACID|2-HYDROXY-4-METHY...
-
ME390580
-
-
-
-
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID
2-Hydroxy-4-(methylthio)butanoic acid
ME390646
-
-
-
-
2-HYDROXYBUTYRIC ACID|3-HYDROXYBUTYRIC ACID|3-HYDR...
-
ME390541
-
-
-
-
2-ISOPROPYLMALIC ACID
2-Isopropylmalic acid
ME390688
-
-
-
-
2-METHYLBUTYRYLGLYCINE
2-Methylbutyrylglycine
ME390655
-
-
-
-
2-METHYLMALEIC ACID|ITACONIC ACID
Itaconic acid
ME390566
-
-
-
-
2-OXOADIPATE
Oxoadipic acid
ME390657
-
-
-
-
2-PHENYLBUTYRIC ACID
2-Phenylbutyric acid
ME390664
-
-
-
-
2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME390699
-
-
-
-
3-(2-HYDROXYPHENYL)PROPANOIC ACID
3-(2-Hydroxyphenyl)propanoic acid
ME390667
-
-
-
-
3,4-DIHYDROXYBENZOATE|3,5-DIHYDROXYBENZOIC ACID
-
ME390568
-
-
-
-
3,4-DIHYDROXYPHENYLACETIC ACID|3-HYDROXYMANDELIC A...
Vanillic acid
ME390540
-
-
-
-
3-(4-HYDROXYPHENYL)PYRUVIC ACID
4-Hydroxyphenylpyruvic acid
ME390693
-
-
-
-
3-AMINO-4-HYDROXYBENZOIC ACID|3-AMINO-5-HYDROXYBEN...
-
ME390573
-
-
-
-
3'-CMP
3'-CMP
ME390763
-
-
-
-
3-DEHYDROSHIKIMIC ACID
3-Dehydroshikimic acid
ME390676
-
-
-
-
3-FUROIC ACID
3-Furoic acid
ME390596
-
-
-
-
3-HYDROXYGLUTARIC ACID|ALPHA-HYDROXYGLUTARIC ACID|...
Citramalic acid
ME390562
-
-
-
-
3-HYDROXYISOVALERIC ACID_PEAK1
3-Hydroxyisovaleric acid
ME390607
-
-
-
-
3-HYDROXYISOVALERIC ACID_PEAK2
3-Hydroxyisovaleric acid
ME390606
-
-
-
-
3-METHOXY-4-HYDROXYMANDELIC ACID
Vanillylmandelic acid
ME390714
-
-
-
-
3-METHOXYTYRAMINE
3-Methoxytyramine
ME390668
-
-
-
-
3-METHYLGLUTACONIC ACID
3E-Methylglutaconic acid
ME390635
-
-
-
-
3-PHENYLLACTIC ACID_PEAK1
Phenyllactic acid
ME390543
-
-
-
-
3-PHENYLLACTIC ACID_PEAK2
Phenyllactic acid
ME390561
-
-
-
-
3-PHOSPHOGLYCERIC ACID
3-Phosphoglyceric acid
ME390700
-
-
-
-
3-SULFINO-ALANINE
3-Sulfino-alanine
ME390650
-
-
-
-
3-SULFOOXYBENZOIC ACID|4-SULFOOXYBENZOIC ACID
-
ME390542
-
-
-
-
3-UREIDOPROPIONATE|ASPARAGINE|GLYCYL-GLYCINE
Gly-Gly
ME390581
-
-
-
-
4-ACETAMIDOBUTANOIC ACID
4-Acetamidobutanoic acid
ME390638
-
-
-
-
4-AMINOBENZOIC ACID|TRIGONELLINE
Trigonelline
ME390582
-
-
-
-
4-AMINOBUTANOIC ACID
gamma-Aminobutyric acid
ME390590
-
-
-
-
4-ETHYLOCTANOIC ACID
4-Ethyloctanoic acid
ME390678
-
-
-
-
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME390613
-
-
-
-
4-HYDROXYBENZOIC ACID
4-Hydroxybenzoic acid
ME390630
-
-
-
-
4-HYDROXYPROLINE|5-AMINOLEVULINIC ACID
-
ME390547
-
-
-
-
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME390617
-
-
-
-
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME390620
-
-
-
-
4-METHYLVALERIC ACID
Isocaproic acid
ME390601
-
-
-
-
4-PHENYLBUTYRIC ACID
-
ME390663
-
-
-
-
4-PYRIDOXIC ACID
4-Pyridoxic acid
ME390698
-
-
-
-
5,6-DIHYDRO THYMINE
Dihydrothymine
ME390619
-
-
-
-
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSI...
-
ME390743
-
-
-
-
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSY...
AICAR-P
ME390766
-
-
-
-
5-AMINOPENTANOIC ACID|BETAINE
Betaine
ME390558
-
-
-
-
5-HYDROXYMETHYL-2-FURANCARBOXYLIC ACID
Sumiki's acid
ME390633
-
-
-
-
5-HYDROXYMETHYLURACIL
5-Hydroxymethyluracil
ME390634
-
-
-
-
5-HYDROXY-TRYPTOPHAN
5-Hydroxy-tryptophan
ME390728
-
-
-
-
5-METHOXY-3-INDOLEACETIC ACID
5-Methoxyindoleacetic acid
ME390720
-
-
-
-
5'-METHYLTHIOADENOSINE
5'-Methylthioadenosine
ME390758
-
-
-
-
5-METHYLURIDINE_PEAK1
Ribothymidine
ME390742
-
-
-
-
5-PHENYLVALERIC ACID
5-Phenylvaleric acid
ME390691
-
-
-
-
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME390750
-
-
-
-
8-HYDROXYQUINOLINE|INDOLE-3-CARBOXALDEHYDE
1H-Indole-3-carboxaldehyde
ME390578
-
-
-
-
ACONITIC ACID
cis-Aconitic acid
ME390570
-
-
-
-
ADENINE
Adenine
ME390626
-
-
-
-
ADENOSINE
Adenosine
ME390748
-
-
-
-
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE
2',3' cyclic AMP
ME390765
-
-
-
-
ALANINE|SARCOSINE
Sarcosine
ME390549
-
-
-
-
ALLANTOIC ACID
Allantoic acid
ME390687
-
-
-
-
ALLO-ISOLEUCINE|ISOLEUCINE
Isoleucine
ME390571
-
-
-
-
ALLOSE|ALPHA-GLUCOSE|FRUCTOSE|GALACTOSE|GLUCOSE|GU...
D-Tagatose
ME390563
-
-
-
-
ALLOTHREONINE|HOMOSERINE
Homoserine
ME390575
-
-
-
-
ALPHA-AMINOADIPIC ACID|AMINOADIPIC ACID|N-METHYL-G...
N-Methyl-glutamic acid
ME390584
-
-
-
-
ALPHA-GALACTOSE 1-PHOSPHATE|MANNOSE 6-PHOSPHATE
Mannose 6-phosphate
ME390545
-
-
-
-
ALPHA-HYDROXYHIPPURIC ACID
alpha-Hydroxyhippuric acid
ME390710
-
-
-
-
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME390640
-
-
-
-
ALPHA-N-ACETYL-GLUTAMINE
N-Acetylglutamine
ME390701
-
-
-
-
AMINOMALONIC ACID
Aminomalonic acid
ME390608
-
-
-
-
AMPICILLIN
Ampicillin
ME390773
-
-
-
-
ARABINOSE|ARABINOSE_PEAK2|LYXOSE|RIBOSE|XYLOSE
-
ME390564
-
-
-
-
ARABINOSE_PEAK1
Arabinose
ME390647
-
-
-
-
ARGININE
Arginine
ME390682
-
-
-
-
ASCORBIC ACID|GLUCURONOLACTONE
Glucuronolactone
ME390536
-
-
-
-
ASPARTIC ACID
Aspartic acid
ME390550
-
-
-
-
ASP-PHE
Asp-Phe
ME390751
-
-
-
-
BENZALDEHYDE
Benzaldehyde
ME390594
-
-
-
-
BENZYL ALCOHOL
Benzyl alcohol
ME390595
-
-
-
-
BETA-LACTOSE
Lactose
ME390769
-
-
-
-
BIOTIN_PEAK2
Biotin
ME390739
-
-
-
-
BUTYLATED HYDROXYTOLUENE
2,6-Di-tert-butyl-4-methylphenol
ME390729
-
-
-
-
CAPRYLIC ACID
Caprylic acid
ME390636
-
-
-
-
CAPRYLOYL GLYCINE
Capryloylglycine
ME390715
-
-
-
-
CARNOSINE
Carnosine
ME390731
-
-
-
-
CELLOBIOSE|LACTULOSE|MALTOSE|MELIBIOSE|PALATINOSE|...
Turanose
ME390579
-
-
-
-
CHENODEOXYCHOLIC ACID|DEOXYCHOLIC ACID
Deoxycholic acid
ME390544
-
-
-
-
CHOLIC ACID
Cholic acid
ME390778
-
-
-
-
CINNAMIC ACID
trans-Cinnamic acid
ME390569
-
-
-
-
CITRIC|ISOCITRIC ACID
Isocitric acid
ME390559
-
-
-
-
CITRULLINE
Citrulline
ME390685
-
-
-
-
COPROPORPHYRIN III
Coproporphyrin III
ME390787
-
-
-
-
CREATINE
Creatine
ME390623
-
-
-
-
CREATININE
Creatinine
ME390598
-
-
-
-
CROTONIC ACID
Crotonic acid
ME390587
-
-
-
-
CYSTATHIONINE
Cystathionine
ME390730
-
-
-
-
CYSTEINE
Cysteine
ME390612
-
-
-
-
CYTIDINE
Cytidine
ME390736
-
-
-
-
CYTIDINE 2',3'-CYCLIC MONOPHOSPHATE
2',3' cyclic CMP
ME390761
-
-
-
-
CYTIDINE 5'-DIPHOSPHATE
CDP
ME390776
-
-
-
-
CYTIDINE 5'-DIPHOSPHOCHOLINE
CDP-choline
ME390783
-
-
-
-
CYTIDINE 5'-TRIPHOSPHATE
CTP
ME390781
-
-
-
-
DECANOIC ACID
Capric acid
ME390677
-
-
-
-
DEHYDROASCORBIC ACID
Dehydroascorbic acid
ME390680
-
-
-
-
DEOXYURIDINE
Deoxyuridine
ME390732
-
-
-
-
DETHIOBIOTIN
Dethiobiotin
ME390726
-
-
-
-
DIACETYL
Diacetyl
ME390586
-
-
-
-
ERYTHRITOL|THREITOL
Threitol
ME390565
-
-
-
-
ESCULIN
Esculin
ME390768
-
-
-
-
ETHOSUXIMIDE
Ethosuximide
ME390631
-
-
-
-
FLAVIN ADENINE DINUCLEOTIDE
FAD
ME390789
-
-
-
-
FRUCTOSE 1,6-BIPHOSPHATE
Fructose 1,6-bisphosphate
ME390767
-
-
-
-
FRUCTOSE 6-PHOSPHATE|GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME390548
-
-
-
-
FUMARIC ACID|MALEIC ACID
Maleic acid
ME390577
-
-
-
-
GALACTARIC ACID|SACCHARIC ACID
Glucaric acid
ME390583
-
-
-
-
GALACTITOL|MANNITOL
Mannitol
ME390538
-
-
-
-
GALLIC ACID
Gallic acid
ME390674
-
-
-
-
GLUCONIC ACID
Gluconic acid
ME390712
-
-
-
-
GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME390745
-
-
-
-
GLUCOSAMINE 6-SULFATE
Glucosamine 6-sulfate
ME390744
-
-
-
-
GLUCURONIC ACID
Glucuronic acid
ME390576
-
-
-
-
GLUTAMIC ACID
Glutamic acid
ME390537
-
-
-
-
GLUTAMINE
Glutamine
ME390641
-
-
-
-
GLYCERIC ACID
Glyceric acid
ME390593
-
-
-
-
GLYCEROL 2-PHOSPHORIC ACID
-
ME390675
-
-
-
-
GLYCOCHENODEOXYCHOLIC ACID
Glycochenodeoxycholic acid
ME390779
-
-
-
-
GLYCOCHOLIC ACID
Glycocholic acid
ME390780
-
-
-
-
GUANOSINE
Guanosine
ME390754
-
-
-
-
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE
3',5' cyclic GMP
ME390771
-
-
-
-
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME390774
-
-
-
-
GULONIC ACID GAMA-LACTONE
-
ME390690
-
-
-
-
HEPTANOIC ACID
Heptylic acid
ME390621
-
-
-
-
HIPPURIC ACID_PEAK2
Hippuric acid
ME390692
-
-
-
-
HISTIDINE
Histidine
ME390652
-
-
-
-
HISTIDINOL
L-Histidinol
ME390632
-
-
-
-
HOMOCYSTEINE_PEAK1
Homocysteine
ME390624
-
-
-
-
HOMOCYSTEINE_PEAK2
Homocysteine
ME390625
-
-
-
-
HOMOVANILLIC ACID SULFATE
Homovanillic acid 4-sulfate
ME390746
-
-
-
-
HYDROXYPHENYLLACTIC ACID
Hydroxyphenyllactic acid
ME390697
-
-
-
-
INDOLE
Indole
ME390603
-
-
-
-
INDOLE-3-ACETALDEHYDE
Indoleacetaldehyde
ME390654
-
-
-
-
INDOLE-3-ETHANOL
Tryptophanol
ME390659
-
-
-
-
INDOLEACETIC ACID
Indoleacetic acid
ME390684
-
-
-
-
INDOLELACTIC ACID
Indolelactic acid
ME390722
-
-
-
-
INDOLEPROPIONIC ACID
Indolepropionic acid
ME390704
-
-
-
-
INDOLEPYRUVIC ACID
Indolepyruvic acid
ME390716
-
-
-
-
INOSINE
Inosine
ME390749
-
-
-
-
INOSINE 5'-MONOPHOSPHATE
IMP
ME390772
-
-
-
-
IS_BR-PHENYLALANINE
-
ME390795
-
-
-
-
IS_CL-PHENYLALANINE
-
ME390794
-
-
-
-
IS_D15-OCTANOIC ACID
-
ME390797
-
-
-
-
IS_D19-DECANOIC ACID
-
ME390798
-
-
-
-
IS_D27-TETRADECANOIC ACID
-
ME390800
-
-
-
-
IS_D3-LEUCINE
-
ME390791
-
-
-
-
IS_D5-HIPPURIC ACID (N-D5-BENZOYLGLYCINE)
-
ME390793
-
-
-
-
IS_D5-INDOLEACETIC ACID
-
ME390796
-
-
-
-
IS_D5-TRYPTOPHAN
-
ME390792
-
-
-
-
IS_D7-GLUCOSE
-
ME390790
-
-
-
-
ISOVALERYLGLYCINE_PEAK2
Isovalerylglycine
ME390656
-
-
-
-
IS_TRIDECANOIC ACID
-
ME390799
-
-
-
-
KYNURENINE
Kynurenine
ME390725
-
-
-
-
LACTIC ACID
Lactic acid
ME390553
-
-
-
-
LAUROYLCARNITINE
CAR 12:0
ME390770
-
-
-
-
LEUCINE|NORLEUCINE
Norleucine
ME390551
-
-
-
-
LEVULINIC ACID
Levulinic acid
ME390600
-
-
-
-
LINOLEIC ACID
Linoleic acid
ME390752
-
-
-
-
LYSINE
Lysine
ME390642
-
-
-
-
MALEAMIC ACID
Maleamic acid
ME390599
-
-
-
-
MALIC ACID
Malic acid
ME390552
-
-
-
-
MALONIC ACID
Malonic acid
ME390591
-
-
-
-
MALTOTRIOSE|RAFFINOSE
Raffinose
ME390557
-
-
-
-
METHIONINE
Methionine
ME390645
-
-
-
-
METHYL BETA-GALACTOSIDE
Methyl beta-D-galactoside
ME390709
-
-
-
-
METHYLMALONIC ACID|SUCCINIC ACID
Succinic acid
ME390567
-
-
-
-
M-HYDROXYHIPPURIC ACID
3-Hydroxyhippuric acid
ME390711
-
-
-
-
N-(2-FUROYL)GLYCINE
2-Furoylglycine
ME390672
-
-
-
-
N-(3-PHENYLPROPIONYL)GLYCINE
Phenylpropionylglycine
ME390724
-
-
-
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME390717
-
-
-
-
N-ACETYL-ALANINE
N-Acetylalanine
ME390622
-
-
-
-
N-ACETYL-ASPARTIC ACID
N-Acetylaspartic acid
ME390683
-
-
-
-
N-ACETYL-CYSTEINE
N-Acetylcysteine
ME390661
-
-
-
-
N-ACETYL-GALACTOSAMINE|N-ACETYL-GLUCOSAMINE|N-ACET...
N-Acetyl-mannosamine
ME390555
-
-
-
-
N-ACETYL-GLUTAMIC ACID
N-Acetylglutamic acid
ME390703
-
-
-
-
N-ACETYLGLYCINE
N-Acetylglycine
ME390602
-
-
-
-
N-ACETYL-LEUCINE
N-Acetylleucine
ME390679
-
-
-
-
N-ACETYL-METHIONINE
N-Acetylmethionine
ME390706
-
-
-
-
N-ACETYLMURAMIC ACID
N-Acetylmuramic acid
ME390757
-
-
-
-
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME390762
-
-
-
-
N-ACETYL-PHENYLALANINE
N-Acetylphenylalanine
ME390723
-
-
-
-
N-ACETYL-SERINE
N-Acetylserine
ME390643
-
-
-
-
N-ACETYLTRYPTOPHAN
N-Acetyl-tryptophan
ME390535
-
-
-
-
N-ALPHA-ACETYL-ASPARAGINE
N-Acetylasparagine
ME390681
-
-
-
-
N-ALPHA-ACETYL-LYSINE
N(2)-Acetyllysine
ME390702
-
-
-
-
N-BUTYRYLGLYCINE_PEAK1
N-Butyrylglycine
ME390639
-
-
-
-
N-BUTYRYLGLYCINE_PEAK2
N-Butyrylglycine
ME390637
-
-
-
-
N-(CINNAMOYL)GLYCINE
Cinnamoylglycine
ME390721
-
-
-
-
N-FORMYL-METHIONINE
N-Formylmethionine
ME390689
-
-
-
-
NICOTINAMIDE
Niacinamide
ME390614
-
-
-
-
NICOTINURIC ACID
Nicotinuric acid
ME390694
-
-
-
-
NILINO-1-NAPHTHALENESULFONIC ACID
-
ME390759
-
-
-
-
NORVALINE
Norvaline
ME390604
-
-
-
-
O-ACETYL-SERINE
O-Acetylserine
ME390644
-
-
-
-
O-PHOSPHO-SERINE
DL-O-Phosphoserine
ME390534
-
-
-
-
OPHTHALMIC ACID
Ophthalmic acid
ME390756
-
-
-
-
ORNITHINE
Ornithine
ME390572
-
-
-
-
OROTIC ACID
Orotic acid
ME390653
-
-
-
-
PALMITIC ACID
Palmitic acid
ME390740
-
-
-
-
PANTOTHENIC ACID
Pantothenic acid
ME390727
-
-
-
-
PENTANEDECANOIC ACID
Pentadecylic acid
ME390735
-
-
-
-
PETROSELINIC ACID
6-Octadecylenic acid
ME390753
-
-
-
-
PHENYLACETIC ACID
Phenylacetic acid
ME390627
-
-
-
-
PHENYLACETYL-GLUTAMINE
alpha-N-Phenylacetylglutamine
ME390747
-
-
-
-
PHENYLACETYLGLYCINE
Phenylacetylglycine
ME390708
-
-
-
-
PHENYLALANINE_PEAK1
Phenylalanine
ME390665
-
-
-
-
PHENYLALANINE_PEAK2
Phenylalanine
ME390666
-
-
-
-
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME390669
-
-
-
-
PROLINE
Proline
ME390539
-
-
-
-
PROPYLPARABEN
Propylparaben
ME390695
-
-
-
-
PURINE
Purine
ME390611
-
-
-
-
PYRIDOXAMINE
Pyridoxamine
ME390671
-
-
-
-
PYRIDOXINE
Pyridoxine
ME390673
-
-
-
-
PYROGALLOL
1,2,3-Trihydroxybenzene
ME390616
-
-
-
-
PYROGLUTAMIC ACID
Pyroglutamic acid
ME390546
-
-
-
-
PYRUVIC ACID
Pyruvic acid
ME390588
-
-
-
-
QUINIC ACID
Quinic acid
ME390707
-
-
-
-
RETINOIC ACID
Retinoic acid
ME390760
-
-
-
-
RIBAVIRIN_PEAK1
Ribavirin
ME390738
-
-
-
-
RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME390733
-
-
-
-
SALICYLHYDROXAMIC ACID
Salicylhydroxamic acid
ME390651
-
-
-
-
SERINE
Serine
ME390592
-
-
-
-
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME390741
-
-
-
-
STACHYOSE
Stachyose
ME390788
-
-
-
-
SYRINGIC ACID
Syringic acid
ME390713
-
-
-
-
TARTARIC ACID
Tartaric acid
ME390560
-
-
-
-
TAURINE
Taurine
ME390615
-
-
-
-
TAUROCHENODEOXYCHOLIC ACID
Taurochenodeoxycholic acid
ME390784
-
-
-
-
TAUROCHOLIC ACID
Taurocholic acid
ME390786
-
-
-
-
TAUROURSODEOXYCHOLIC ACID
Tauroursodeoxycholic acid
ME390785
-
-
-
-
THIOACETIC ACID
Ethanethioic S-acid
ME390585
-
-
-
-
THREONINE
Threonine
ME390609
-
-
-
-
THYMIDINE
Thymidine
ME390734
-
-
-
-
THYMINE
Thymine
ME390618
-
-
-
-
TRICARBALLYLIC ACID
1,2,3-Propanetricarboxylic acid
ME390686
-
-
-
-
TRYPTAMINE
Tryptamine
ME390658
-
-
-
-
TRYPTOPHAN
Tryptophan
ME390718
-
-
-
-
TYRAMINE
Tyramine
ME390629
-
-
-
-
TYROSINE
Tyrosine
ME390696
-
-
-
-
URACIL
Uracil
ME390597
-
-
-
-
URIC ACID
Uric acid
ME390670
-
-
-
-
URIDINE
Uridine
ME390737
-
-
-
-
URIDINE 5'-DIPHOSPHATE
UDP
ME390777
-
-
-
-
URIDINE-5-MONOPHOSPHATE
UMP
ME390764
-
-
-
-
URIDINE 5'-TRIPHOSPHATE
UTP
ME390782
-
-
-
-
VALINE
Valine
ME390605
-
-
-
-
VANILLIN
Vanillin
ME390649
-
-
-
-
XANTHINE
Xanthine
ME390648
-
-
-
-
XANTHOSINE
Xanthosine
ME390755
-
-
-
-
XANTHOSINE 5'-MONOPHOSPHATE
XMP
ME390775
-
-
-
-
XANTHURENIC ACID
Xanthurenic acid
ME390719
-
-
-
-
Analysis: HILIC POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,3-DIMETHYLURACIL
1,3-Dimethyluracil
ME390850
-
-
-
-
1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONE|2-PHENYLACETAMID...
N-benzylformamide
ME390802
-
-
-
-
1,6-ANHYDRO-B-GLUCOSE
Glucosan
ME390876
-
-
-
-
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
1-Aminocyclopropanecarboxylic acid
ME390817
-
-
-
-
1-METHYLGUANIDINE
Methylguanidine
ME390813
-
-
-
-
1-OLEOYL-RAC-GLYCEROL
MG 18:1
ME390948
-
-
-
-
2,6-DIAMINOHEPTANEDIOIC ACID
2,6-Diaminopimelic acid
ME390904
-
-
-
-
2-AMINOPHENOL
2-Aminophenol
ME390822
-
-
-
-
2-DEOXY-GLUCOSE|6-DEOXY-GALACTOSE
-
ME390810
-
-
-
-
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATE
dGMP
ME390947
-
-
-
-
2-METHOXYCINNAMALDEHYDE
-
ME390877
-
-
-
-
3,5-DIMETHOXYPHENOL
-
ME390866
-
-
-
-
3'-CMP
3'-CMP
ME390942
-
-
-
-
3-HYDROXYPHENYLACETIC ACID
3-Hydroxyphenylacetic acid
ME390864
-
-
-
-
3-METHOXYTYRAMINE
3-Methoxytyramine
ME390883
-
-
-
-
3-METHYL-2-OXINDOLE
3-Methyloxindole
ME390861
-
-
-
-
3-SULFINO-ALANINE
3-Sulfino-alanine
ME390865
-
-
-
-
4-ACETAMIDOPHENOL
Acetaminophen
ME390863
-
-
-
-
4-AMINOBENZOIC ACID_PEAK1
p-Aminobenzoic acid
ME390846
-
-
-
-
4-AMINOBENZOIC ACID_PEAK2
p-Aminobenzoic acid
ME390847
-
-
-
-
4-GUANIDINOBUTANOIC ACID
4-Guanidinobutanoic acid
ME390852
-
-
-
-
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME390806
-
-
-
-
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME390833
-
-
-
-
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME390835
-
-
-
-
4-VINYL PHENOL
4-Hydroxystyrene
ME390830
-
-
-
-
5,6-DIHYDRO THYMINE
Dihydrothymine
ME390834
-
-
-
-
5-AMINOIMIDAZOLE-4-CARBOXAMIDE-1-BETA-RIBOFURANOSI...
-
ME390929
-
-
-
-
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME390928
-
-
-
-
5-HYDROXYINDOLE-3-ACETIC ACID
5-Hydroxyindoleacetic acid
ME390905
-
-
-
-
5-HYDROXYLYSINE
5-Hydroxylysine
ME390878
-
-
-
-
5-METHOXY-3-INDOLEACETIC ACID
5-Methoxyindoleacetic acid
ME390915
-
-
-
-
ACETYL-CARNITINE
CAR 2:0
ME390914
-
-
-
-
ACETYLCHOLINE
Acetylcholine
ME390858
-
-
-
-
ACRYLAMIDE
Acrylamide
ME390812
-
-
-
-
ADENINE
Adenine
ME390841
-
-
-
-
ADENOSINE
Adenosine
ME390932
-
-
-
-
ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE
2',3' cyclic AMP
ME390944
-
-
-
-
ADIPIC ACID
Adipic acid
ME390854
-
-
-
-
AGMATINE
Agmatine
ME390837
-
-
-
-
ALANINE
Alanine
ME390816
-
-
-
-
ALLO-ISOLEUCINE|ISOLEUCINE
Isoleucine
ME390808
-
-
-
-
ALLOTHREONINE|HOMOSERINE
Homoserine
ME390809
-
-
-
-
ALPHA-AMINOADIPIC ACID
alpha-Aminoadipic acid
ME390874
-
-
-
-
ALPHA-N-ACETYL-GLUTAMINE
N-Acetylglutamine
ME390898
-
-
-
-
ANDROSTERONE
Androsterone
ME390939
-
-
-
-
ARGININE
Arginine
ME390887
-
-
-
-
ASPARAGINE
Asparagine
ME390839
-
-
-
-
ASPARTIC ACID
Aspartic acid
ME390811
-
-
-
-
ASP-PHE
Asp-Phe
ME390934
-
-
-
-
BETA-ALANINE|SARCOSINE
Sarcosine
ME390801
-
-
-
-
BETAINE
Betaine
ME390827
-
-
-
-
BILIVERDIN
Biliverdin
ME390958
-
-
-
-
CADAVERINE
Cadaverine
ME390818
-
-
-
-
CAFFEINE
Caffeine
ME390907
-
-
-
-
CAPRYLOYL GLYCINE
Capryloylglycine
ME390909
-
-
-
-
CARNOSINE
Carnosine
ME390919
-
-
-
-
CATECHOL
Pyrocatechol
ME390823
-
-
-
-
CHOLINE
Choline
ME390820
-
-
-
-
CITRULLINE
Citrulline
ME390889
-
-
-
-
CORTISOL 21-ACETIC ACID
Cortisol 21-acetate
ME390955
-
-
-
-
CORTISONE
Cortisone
ME390949
-
-
-
-
COTININE
Cotinine
ME390891
-
-
-
-
CREATINE
Creatine
ME390838
-
-
-
-
CREATININE
Creatinine
ME390826
-
-
-
-
CYSTATHIONINE
Cystathionine
ME390918
-
-
-
-
CYTIDINE
Cytidine
ME390926
-
-
-
-
CYTIDINE 2',3'-CYCLIC MONOPHOSPHATE
2',3' cyclic CMP
ME390941
-
-
-
-
CYTIDINE 5'-DIPHOSPHOCHOLINE
CDP-choline
ME390957
-
-
-
-
CYTOSINE
Cytosine
ME390824
-
-
-
-
DAMP
dAMP
ME390945
-
-
-
-
DEOXYCARNITINE
3-Dehydroxycarnitine
ME390853
-
-
-
-
DEOXYCYTIDINE
Deoxycytidine
ME390920
-
-
-
-
DETHIOBIOTIN
Dethiobiotin
ME390916
-
-
-
-
DIMETHYLBENZIMIDAZOLE
Dimethylbenzimidazole
ME390856
-
-
-
-
ESTRIOL
Estriol
ME390937
-
-
-
-
ETHYL 4-AMINOBENZOIC ACID
Benzocaine
ME390882
-
-
-
-
ETOMIDATE
Etomidate
ME390927
-
-
-
-
FERULIC ACID_PEAK2
trans-Ferulic acid
ME390906
-
-
-
-
FLAVIN ADENINE DINUCLEOTIDE
FAD
ME390960
-
-
-
-
GALACTOSAMINE
Galactosamine
ME390893
-
-
-
-
GLUCOSAMINE
Glucosamine
ME390892
-
-
-
-
GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME390930
-
-
-
-
GLUTAMIC ACID
Glutamic acid
ME390859
-
-
-
-
GLUTAMINE
Glutamine
ME390855
-
-
-
-
GLYCEROL 2-PHOSPHORIC ACID
-
ME390884
-
-
-
-
GLYCINE
Glycine
ME390814
-
-
-
-
GLYCYL-GLYCINE
Gly-Gly
ME390840
-
-
-
-
GUANOSINE
Guanosine
ME390935
-
-
-
-
GUANOSINE 3',5'-CYCLIC MONOPHOSPHATE
3',5' cyclic GMP
ME390946
-
-
-
-
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME390950
-
-
-
-
HISTAMINE
Histamine
ME390825
-
-
-
-
HISTIDINE
Histidine
ME390867
-
-
-
-
HISTIDINOL
L-Histidinol
ME390851
-
-
-
-
HOMOARGININE
Homoarginine
ME390900
-
-
-
-
HOMOCITRULLINE
Homocitrulline
ME390903
-
-
-
-
HOMOVANILLIC ACID
Homovanillic acid
ME390895
-
-
-
-
HYPOXANTHINE
Hypoxanthine
ME390842
-
-
-
-
INDOLE-3-ACETALDEHYDE
Indoleacetaldehyde
ME390870
-
-
-
-
INDOLE-3-ACETAMIDE
1H-Indole-3-acetamide
ME390885
-
-
-
-
INDOLE-3-BUTYRIC ACID
3-Indolebutyric acid
ME390911
-
-
-
-
INDOLE-3-ETHANOL
Tryptophanol
ME390875
-
-
-
-
INDOLEACETIC ACID
Indoleacetic acid
ME390888
-
-
-
-
INDOLEACRYLIC ACID
Indoleacrylic acid
ME390897
-
-
-
-
INDOLEPROPIONIC ACID_PEAK1|METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME390805
-
-
-
-
INDOLEPROPIONIC ACID_PEAK2
Indolepropionic acid
ME390902
-
-
-
-
IRBESARTAN
Irbesartan
ME390956
-
-
-
-
IS_2-FLUROPHENYLGLYCINE
-
ME390962
-
-
-
-
IS_BR-PHENYLALANINE
-
ME390967
-
-
-
-
IS_CL-PHENYLALANINE
-
ME390966
-
-
-
-
IS_D3-LEUCINE
-
ME390964
-
-
-
-
IS_D3-METHIONINE
-
ME390963
-
-
-
-
IS_D5-INDOLEACETIC ACID
-
ME390968
-
-
-
-
IS_D5-PHENYLALANINE
-
ME390970
-
-
-
-
IS_D5-TRYPTOPHAN
-
ME390965
-
-
-
-
IS_D9-CARNITINE
-
ME390961
-
-
-
-
IS_D9-PROGESTERONE
-
ME390969
-
-
-
-
IS_L-4-HYDROXYPHENYL-D4-ALANINE_PEAK1
-
ME390971
-
-
-
-
LEUCINE|NORLEUCINE
Norleucine
ME390803
-
-
-
-
LINOLENIC ACID
Octadecatrienoic acid
ME390933
-
-
-
-
LUMICHROME
Lumichrome
ME390925
-
-
-
-
LYSINE
Lysine
ME390857
-
-
-
-
MELATONIN
Melatonin
ME390924
-
-
-
-
METHIONINE
Methionine
ME390862
-
-
-
-
METHYLMALONIC ACID
Methylmalonic acid
ME390828
-
-
-
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME390912
-
-
-
-
N-ACETYL-5-HYDROXYTRYPTAMINE
N-Acetylserotonin
ME390917
-
-
-
-
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME390836
-
-
-
-
NAD
NAD
ME390959
-
-
-
-
N-ALPHA-ACETYL-LYSINE
N(2)-Acetyllysine
ME390899
-
-
-
-
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME390901
-
-
-
-
NICOTINAMIDE
Niacinamide
ME390831
-
-
-
-
N-METHYL-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME390860
-
-
-
-
N-METHYL-GLUTAMATE
N-Methyl-glutamic acid
ME390873
-
-
-
-
N-METHYLNICOTINAMIDE
N-Methylnicotinamide
ME390843
-
-
-
-
N,N-DIMETHYLGLYCINE
Dimethylglycine
ME390819
-
-
-
-
O-PHOSPHO-SERINE
DL-O-Phosphoserine
ME390896
-
-
-
-
OPHTHALMIC ACID
Ophthalmic acid
ME390938
-
-
-
-
ORNITHINE
Ornithine
ME390804
-
-
-
-
P-COUMARIC ACID
cis-p-Coumaric acid
ME390880
-
-
-
-
PHENYLALANINE
Phenylalanine
ME390881
-
-
-
-
PHENYLETHANOLAMINE
2-Hydroxyphenethylamine
ME390849
-
-
-
-
PIMELIC ACID
Pimelic acid
ME390871
-
-
-
-
PTERIN
Pterin
ME390879
-
-
-
-
PUTRESCINE
Putrescine
ME390815
-
-
-
-
RESVERATROL
Resveratrol
ME390921
-
-
-
-
RIBOFLAVIN
Riboflavin
ME390952
-
-
-
-
S-(5'-ADENOSYL)-L-HOMOCYSTEINE
S-Adenosylhomocysteine
ME390953
-
-
-
-
SALICYLAMIDE_PEAK2
Salicylamide
ME390844
-
-
-
-
SERINE
Serine
ME390821
-
-
-
-
SEROTONIN
Serotonin
ME390890
-
-
-
-
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME390807
-
-
-
-
SPERMINE
Spermine
ME390910
-
-
-
-
SPHINGANINE
Sphinganine
ME390940
-
-
-
-
SUBERIC ACID
Suberic acid
ME390886
-
-
-
-
SUBERYL GLYCINE_PEAK1
Suberylglycine
ME390923
-
-
-
-
SUBERYL GLYCINE_PEAK2
Suberylglycine
ME390922
-
-
-
-
SYRINGIC ACID
Syringic acid
ME390908
-
-
-
-
TAURINE
Taurine
ME390832
-
-
-
-
THIAMINE
Thiamine
ME390931
-
-
-
-
THREONINE
Threonine
ME390829
-
-
-
-
TRANEXAMIC ACID_PEAK1
Tranexamic acid
ME390869
-
-
-
-
TRANEXAMIC ACID_PEAK2
Tranexamic acid
ME390868
-
-
-
-
TRIGONELLINE
Trigonelline
ME390845
-
-
-
-
TROPICAMIDE
Tropicamide
ME390936
-
-
-
-
TRYPTAMINE
Tryptamine
ME390872
-
-
-
-
TRYPTOPHAN
Tryptophan
ME390913
-
-
-
-
TYRAMINE
Tyramine
ME390848
-
-
-
-
TYROSINE
Tyrosine
ME390894
-
-
-
-
URIDINE-5-MONOPHOSPHATE
UMP
ME390943
-
-
-
-
VITAMIN D3
Vitamin D3
ME390954
-
-
-
-
XANTHOSINE 5'-MONOPHOSPHATE
XMP
ME390951
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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