Exact Mass: 187.1083
Exact Mass Matches: 187.1083
Found 500 metabolites which its exact mass value is equals to given mass value 187.1083,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Selegiline
A selective, irreversible inhibitor of Type B monoamine oxidase. It is used in newly diagnosed patients with Parkinsons disease. It may slow progression of the clinical disease and delay the requirement for levodopa therapy. It also may be given with levodopa upon onset of disability. (From AMA Drug Evaluations Annual, 1994, p385) The compound without isomeric designation is Deprenyl. [PubChem] INTERNAL_ID 948; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5917; ORIGINAL_PRECURSOR_SCAN_NO 5916 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5948; ORIGINAL_PRECURSOR_SCAN_NO 5946 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5965; ORIGINAL_PRECURSOR_SCAN_NO 5963 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5911; ORIGINAL_PRECURSOR_SCAN_NO 5909 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5941; ORIGINAL_PRECURSOR_SCAN_NO 5940 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5953; ORIGINAL_PRECURSOR_SCAN_NO 5952 CONFIDENCE standard compound; INTERNAL_ID 948; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5917; ORIGINAL_PRECURSOR_SCAN_NO 5916 N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3275 CONFIDENCE standard compound; INTERNAL_ID 2119 D020011 - Protective Agents
8-Amino-7-oxononanoic acid
8-Amino-7-oxononanoic acid, also known as 7-keto-8-aminopelargonic acid (7-KAP) or KAPA, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 8-Amino-7-oxononanoic acid has been identified in urine (PMID: 22409530).
2-Keto-6-acetamidocaproate
2-Keto-6-acetamidocaproate is an intermediate in lysine degradation. It can be generated from N6-acetyl-L-lysine. N-acetyl-lysine is an acetylated amino acid. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins. Acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. N6-acetyl-L-lysine can be converted to 2-Keto-6-acetamidocaproate via the enzyme N6-acetyllysine aminotransferase and then 2-keto-6-acetamidocaproate can be reduced enzymatically to 5-acetamidovalerate. [HMDB] 2-Keto-6-acetamidocaproate is an intermediate in lysine degradation. It can be generated from N6-acetyl-L-lysine. N-acetyl-lysine is an acetylated amino acid. Post-translational lysine-acetylation is one of two major modifications of lysine residues in various proteins. Acetylation of specific lysine residues in the N-terminal domains of core histones is a biochemical marker of active genes. Acetylation is now known to play a major role in eukaryotic transcription. Specifically, acetyltransferase enzymes that act on particular lysine side chains of histones and other proteins are intimately involved in transcriptional activation. N6-acetyl-L-lysine can be converted to 2-Keto-6-acetamidocaproate via the enzyme N6-acetyllysine aminotransferase and then 2-keto-6-acetamidocaproate can be reduced enzymatically to 5-acetamidovalerate.
Amrinone
Amrinone is only found in individuals that have used or taken this drug. It is a type 3 pyridine phosphodiesterase inhibitor. It is used in the treatment of congestive heart failure.Amrinone is a phosphodiesterase inhibitor (PDE3), resulting in increased cAMP and cGMP which leads to an increase in the calcium influx like that caused by beta-agonists resulting in increased inotropic effect.
Amrinone
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
Amantadine hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Heptanoylglycine
N-Heptanoylglycine is an acylglycine with C-7 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. N-Heptanoylglycine is an acylglycine with C-7 fatty acid group as the acyl moiety.
2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine
Proline-derived Maillard product. Proline-derived Maillard product
(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
1-Methyl-4-(2'-methylphenyl)-1,2,3,6-tetrahydropyridine
Makaluvamine I
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors
metamitron-desamino
A member of the class of 1,2,4-triazines that is metamitron in which the amino group has been replaced by a hydrogen atom. It is a metabolite of metamitron. CONFIDENCE standard compound; EAWAG_UCHEM_ID 4 EAWAG_UCHEM_ID 4; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2064
Benzoguanamine
CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5539; ORIGINAL_PRECURSOR_SCAN_NO 5538 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5533; ORIGINAL_PRECURSOR_SCAN_NO 5532 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5545; ORIGINAL_PRECURSOR_SCAN_NO 5543 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5573; ORIGINAL_PRECURSOR_SCAN_NO 5572 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5582; ORIGINAL_PRECURSOR_SCAN_NO 5577 CONFIDENCE standard compound; INTERNAL_ID 1063; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5569; ORIGINAL_PRECURSOR_SCAN_NO 5568
1-(1-Hydroxyethyl)-4-isocyano-4-cyclopentene-1,2,3-triol
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-amine
Deprenyl
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 500
Selegiline
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D020011 - Protective Agents
Metamitron desamino
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 82
4-Fluoro-4-aminodiphenyl
CONFIDENCE standard compound; INTERNAL_ID 1012; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7728; ORIGINAL_PRECURSOR_SCAN_NO 7723 CONFIDENCE standard compound; INTERNAL_ID 1012; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7766; ORIGINAL_PRECURSOR_SCAN_NO 7763
N,N,N-TRIMETHYL-1-PHENYLMETHANAMINIUM FLUORIDE HYDRATE
4,5,6,7-TETRAHYDRO-7,7-DIMETHYL-1H-PYRAZOLO[4,3-C]PYRIDINEHYDROCHLORIDE
Pyrimido[1,2-a]benzimidazole, 1,2,3,4-tetrahydro-7-methyl- (9CI)
Pyrimido[1,2-a]benzimidazole, 1,2,3,4-tetrahydro-1-methyl- (9CI)
Pyrimido[1,2-a]benzimidazol-2(1H)-one, 3,4-dihydro- (8CI,9CI)
1-(2-PHENYL-2-ETHOXY)ETHYL-4-(2-BENZOYL)PROPYLPIPERAZINE
Benzenemethanamine, 4-(difluoromethoxy)-α-methyl-, (αR)-
1,4-Dimethyl-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate
METHYL 2-AMINO-3-(TETRAHYDRO-2H-PYRAN-4-YL)PROPANOATE
Pivagabine
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants Pivagabine (CXB 722) is a hydrophobic 4-aminobutyric acid derivative with neuromodulatory activity. Pivagabine penetrates the blood-brain barrier in rats. Pivagabine antagonizes the effects of foot shock on both GABAA receptor function and corticotropin-releasing factor (CRF) concentrations in rat brain[1][2].
Pyrido[1,2-a]benzimidazol-6-amine, 1,2,3,4-tetrahydro- (9CI)
Pyrido[1,2-a]benzimidazol-9-amine, 1,2,3,4-tetrahydro- (9CI)
Pyrido[4,3:4,5]pyrrolo[1,2-a]pyrazin-1(2H)-one, 3,4-dihydro- (9CI)
Pyrido[4,3:4,5]pyrrolo[1,2-a]pyrazine, 1,2,3,4-tetrahydro-2-methyl- (9CI)
tert-butyl N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]carbamate
(2Z)-3-Thiomorpholinylideneacetic acid ethyl ester
TERT-BUTYL TRANS-(2-HYDROXYMETHYL)CYCLOPROPYLCARBAMATE
2,3,4,5-TETRAHYDRO-1H-BENZO[4,5]IMIDAZO[1,2-D][1,4]DIAZEPINE
(2R,5S)-5-(METHOXYCARBONYL)PIPERIDINE-2-CARBOXYLIC ACID
2-(1-phenyl-1H-pyrazol-4-yl)ethanamine(SALTDATA: HCl)
2-Hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester
2-Methyl-2-propanyl (3S)-tetrahydro-3-furanylcarbamate
2-Propen-1-aminium-,N-methyl-N,N-di-2-propenyl-,chloride
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
1H-Imidazo[1,2-a]benzimidazole,2,3-dihydro-6,7-dimethyl-(9CI)
D-Glucose-C-d7, Deuterated Glucose, Dextrose-C-d7, Labeled Glucose
Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro-6-methyl- (9CI)
DL-Norephedrine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
N-METHYL-N-[(1-PHENYL-1H-PYRAZOL-4-YL)METHYL]AMINE
1-[3-(AMINOMETHYL)BENZYL]-1H-PYRAZOLE 97+3-(1H-PYRAZOL-1-YLMETHYL)BENZYLAMINE
2-(3-Azetidinyloxy)acetic acid 1,1-dimethylethyl ester
Tetrazolo[1,5-a]quinoxaline, 4,5-dihydro-5-methyl- (9CI)
1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-(9CI)
Piperidine,4-(1H-pyrazol-4-yl)-, hydrochloride (1:2)
2-Methyl-2-propanyl 2-(hydroxyimino)-3-oxobutanoate
6-METHYL-1,2,3,4-TETRAHYDRO-BENZOFURO[2,3-C]PYRIDINE
1-Piperidinecarboxylic acid,3-(hydroxymethyl)-,ethyl ester
Cathine hydrochloride
D019440 - Anti-Obesity Agents > D001067 - Appetite Depressants
alpha-Fluoromethylhistidine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D004791 - Enzyme Inhibitors
alpha-Monofluoromethylhistidine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents D004791 - Enzyme Inhibitors
1-Methyl-4-(2-methylphenyl)-1,2,3,6-tetrahydropyridine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists
2,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile
2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine
Proline-derived Maillard product. Proline-derived Maillard product
3-Hydroxydecanoate
A 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3R,6S)-6-hydroxy-3,7-dimethyloctanoate
A hydroxy fatty acid anion that is the conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
6-Hydroxy-3,7-dimethyloctanoate
A hydroxy fatty acid anion that is the conjugate base of 6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
(2S,5S)-5-(2-carboxyethyl)pyrrolidine-2-carboxylic acid
1-Cyano-8-(methylsulfinyl)heptane
A member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
Streptazone E
A member of the class of cyclopentapyridines that is 2,3,4,5-tetrahydro-1H-cyclopenta[b]pyridine substituted by an oxo group at position 4 and by a (2E)-but-2-en-1-ylidene group at position 5. It is a polyketide natural product found in Streptomyces sp.
N-acetyl-D-glutaminate
The conjugate base of N(2)-acetyl-D-glutamine; major species at pH 7.3.
N(omega)-methyl-L-argininate
A L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N(omega)-methyl-L-arginine.
(3S,6R)-6-hydroxy-3,7-dimethyloctanoate
A hydroxy fatty acid anion that is the conjugate base of (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
5-[[Amino(methylazaniumylidene)methyl]amino]-2-oxopentanoate
5-[(N-methylcarbamimidoyl)amino]-2-oxopentanoic acid
8-Amino-7-oxononanoic acid
The 8-amino-7-oxo derivative of nonanoic acid.
6-acetamido-2-oxohexanoic acid
A member of the class of acetamides that is the acetyl derivative of 6-amino-2-oxohexanoic acid.
N-acetyl-L-glutaminate
An N(2)-acetylglutaminate that has L-configuration; major species at pH 7.3.
8-amino-7-oxononanoic acid zwitterion
Zwitterionic form of 8-amino-7-oxononanoic acid having an anionic carboxy group and a protonated nitrogen.
5-(but-2-en-1-ylidene)-1h,2h,3h-cyclopenta[b]pyridin-4-one
(1s,2r,3s,5s,7ar)-3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2-diol
10-amino-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(1r,2r,3r,5r,7ar)-3-(hydroxymethyl)-5-methyl-hexahydro-1h-pyrrolizine-1,2-diol
2H-benz[e]indol-2-one,1,3,3a,4,5,9b-hexahydro-
{"Ingredient_id": "HBIN005656","Ingredient_name": "2H-benz[e]indol-2-one,1,3,3a,4,5,9b-hexahydro-","Alias": "NA","Ingredient_formula": "C12H13NO","Ingredient_Smile": "C1CC2=CC=CC=C2C3C1NC(=O)C3","Ingredient_weight": "187.24 g/mol","OB_score": "44.55844229","CAS_id": "NA","SymMap_id": "SMIT11943","TCMID_id": "NA","TCMSP_id": "MOL010984","TCM_ID_id": "NA","PubChem_id": "604445","DrugBank_id": "NA"}
