Exact Mass: 181.1578894
Exact Mass Matches: 181.1578894
Found 245 metabolites which its exact mass value is equals to given mass value 181.1578894
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dicyclohexylamine
INTERNAL_ID 2356; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2356 D004791 - Enzyme Inhibitors
3,4-Dimethoxyphenylethylamine
3,4-Dimethoxyphenylethylamine, also known as 3,4-DMPEA or DMPEA is an endogenous metabolite found in urine that belongs to both the phenethylamine and catecholamine families. DMPEA is an analogue of dopamine (3,4-dihydroxyphenethylamine), with a substitution of the hydroxy groups with methoxy groups. DMPEA is also structurally similar to mescaline (3,4,5-trimethoxyphenylethylamine) and occurs naturally alongside it in various species of cacti such as the San Pedro and Peruvian Torch (PMID: 5511715, 925910, 600028). DMPEA received wide attention after it was proposed as a biomarker in schizophrenic patients urine, however later studies revealed that DMPEA is also excreted by non-schizophrenics (PMID: 709888). DMPEA has little known bioactivity, but it has some action as a monoamine oxidase inhibitor (PMID: 886445). DMPEA has also been shown to have neurotoxic effects, especially in the nigrostriatal system and among dopaminergic neurons (PMID: 9409711, 9134983). DMPEA appears to be an inhibitor of mitochondrial complex I (PMID: 9409711).
3-O-Methyl-a-methyldopamine
3-O-Methyl-a-methyldopamine is a metabolite of methyldopa. Methyldopa (-α-Methyl-3,4-dihydroxyphenylalanine; Aldomet, Aldoril, Dopamet, Dopegyt, etc. ) is an alpha-adrenergic agonist (selective for α2-adrenergic receptors) psychoactive drug used as a sympatholytic or antihypertensive. Its use is now mostly deprecated following the introduction of alternative safer classes of agents. However, it continues to have a role in otherwise difficult to treat hypertension and gestational hypertension (also known as pregnancy-induced hypertension). (Wikipedia)
beta-O-Methylynephrine
beta-O-Methylynephrine is found in citrus. beta-O-Methylynephrine is obtained from tangerine leaves, poss. as artifact. obtained from tangerine leaves, poss. as artifact. beta-O-Methylynephrine is found in citrus.
(R)-2-Nitro-p-mentha-1,5-diene
Constituent of Angelica archangelica (angelica). (R)-2-Nitro-p-mentha-1,5-diene is found in fats and oils, herbs and spices, and green vegetables. (R)-2-Nitro-p-mentha-1,5-diene is found in fats and oils. (R)-2-Nitro-p-mentha-1,5-diene is a constituent of Angelica archangelica (angelica)
cis-6-Nitro-p-mentha-1(7),2-diene
Constituent of Angelica archangelica (angelica). cis-6-Nitro-p-mentha-1(7),2-diene is found in fats and oils, herbs and spices, and green vegetables. trans-6-Nitro-p-mentha-1(7),2-dien is found in fats and oils. trans-6-Nitro-p-mentha-1(7),2-dien is a constituent of Angelica archangelica (angelica)
N-Ethyl trans-2-cis-6-nonadienamide
N-Ethyl trans-2-cis-6-nonadienamide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
5-Ethyl-4-methyl-2-pentyloxazole
5-Ethyl-4-methyl-2-pentyloxazole is found in potato. 5-Ethyl-4-methyl-2-pentyloxazole is a constituent of French fries. Constituent of French fries. 5-Ethyl-4-methyl-2-pentyloxazole is found in potato.
4-Hexyl-2,5-dimethyloxazole
4-Hexyl-2,5-dimethyloxazole is found in animal foods. 4-Hexyl-2,5-dimethyloxazole is a constituent of roast beef. Constituent of roast beef. 4-Hexyl-2,5-dimethyloxazole is found in animal foods.
2-Butyl-4,5-diethyloxazole
2-Butyl-4,5-diethyloxazole is found in potato. 2-Butyl-4,5-diethyloxazole is a constituent of French fries. Constituent of French fries. 2-Butyl-4,5-diethyloxazole is found in potato.
2-Butyl-5-methyl-4-propyloxazole
2-Butyl-5-methyl-4-propyloxazole is found in potato. 2-Butyl-5-methyl-4-propyloxazole is a constituent of French fries. Constituent of French fries. 2-Butyl-5-methyl-4-propyloxazole is found in potato.
2-Hexyl-4,5-dimethyloxazole
2-Hexyl-4,5-dimethyloxazole is found in potato. 2-Hexyl-4,5-dimethyloxazole is a constituent of French fried potato. Constituent of French fried potato. 2-Hexyl-4,5-dimethyloxazole is found in potato.
5-Butyl-4-methyl-2-propyloxazole
Not reported in nature. Not reported in nature
4-Ethyl-5-methyl-2-pentyloxazol
Not reported in nature. Not reported in nature
2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone
2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is found in alcoholic beverages. Proline-derived Maillard product. 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is a flavouring agent. 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is a constituent of dark malt. Proline-derived Maillard product. Flavouring agent. Constituent of dark malt. 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is found in alcoholic beverages and cereals and cereal products.
2-(5-Methyl-2-furanyl)-3-piperidinol
Proline-derived Maillard product. Proline-derived Maillard product
5-(1-Pyrrolidinylmethyl)-2-furanmethanol
Proline-derived Maillard product. Proline-derived Maillard product
Azepexole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Etilefrine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
5-[(2R)-2-Aminopropyl]cyclohexa-1,5-diene-1-carboxylic acid
Methylgeranate
C11H17O2- (181.12284820000002)
Methylgeranate is also known as methylgeranic acid. Methylgeranate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Methylgeranate can be found in papaya, which makes methylgeranate a potential biomarker for the consumption of this food product.
(R)-Methyl-5-(1-methylethyl)-1-nitro-1,3-cyclohexadiene
(4S-trans)-3-Methylene-6-(1-methylethyl)-4-nitrocyclohexene
N-Phenyldiethanolamine
CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3514; ORIGINAL_PRECURSOR_SCAN_NO 3513 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3512; ORIGINAL_PRECURSOR_SCAN_NO 3507 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3538; ORIGINAL_PRECURSOR_SCAN_NO 3536 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3529; ORIGINAL_PRECURSOR_SCAN_NO 3527 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3560; ORIGINAL_PRECURSOR_SCAN_NO 3557 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3523; ORIGINAL_PRECURSOR_SCAN_NO 3520
Etilefrin
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); CONFIDENCE Reference Standard (Level 1)
(S)-5-(1-hydroxybutyl)-6-methylpyridin-2(1H)-one|chrysogedone A
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite
Piperazine,1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)
BENZENEPROPANAMIDE, A-AMINO-N-[(1R)-1-[(3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL]-3-METHYLBUTYL]-,HYDROCHLORIDE (1:1), (AS)
(1R,2R,4R)-2-Azido-1-isopropyl-4-methylcyclohexane
(R)-N,N-DIMETHYL-1-[(S)-1,2-BIS(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE
TRANS-(4S,6S)-5,6-DIHYDRO-6-METHYL-4H-THIENO[2,3-B]THIOPYRAN-4-OL,7,7-DIOXIDE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile
2,4-DIMETHYL-1,4-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Hexapropymate
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
1-ISOPROPYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
Benzenemethanamine, 2,5-dimethoxy-a-methyl-, (aR)-
Benzenemethanamine, 2,6-dimethoxy-α-methyl-, (S)- (9CI)
5-amino-4-(methoxymethyl)-6-methyl-3-pyridinemethanamine
(1R,3R,4S)-Ethyl 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
(3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE
Benzenemethanamine, 2,5-dimethoxy-α-methyl-, (αS)-
(2a,6a,8a,9ab)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one
N-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]PROPAN-2-AMINE
(R)-1-(3,5-DIMETHOXYPHENYL)ETHANAMINE HYDROCHLORIDE
3-[Methyl-(1-methyl-piperidin-4-yl)-amino]-propionitrile
N-METHYL-N-[3-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PROPYL]AMINE
1H-Pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester
2-(5-AMINO(2-PYRIDYLOXY))ETHYL]DIMETHYLAMINE HYDROCHLORIDE SALT
1H-Pyrazol-3-amine,5-(4-methyl-1-piperazinyl)-(9CI)
Methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate
Isohexylcyanoacrylate
D001697 - Biomedical and Dental Materials > D014014 - Tissue Adhesives
Chrysogedone A
A pyridone that is pyridin-2(1H)-one substituted by a methyl group at position 6 and a 1-hydroxybutyl group at position 5. It has been isolated from Penicillium chrysogenum.
5-[(2R)-2-Aminopropyl]cyclohexa-1,5-diene-1-carboxylic acid
3,4-Dimethoxyphenylethylamine
An aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family.