Exact Mass: 198.1076
Exact Mass Matches: 198.1076
Found 184 metabolites which its exact mass value is equals to given mass value 198.1076,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Tacrine
Tacrine is only found in individuals that have used or taken this drug. It is a centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimers disease and other central nervous system disorders. [PubChem]The mechanism of tacrine is not fully known, but it is suggested that the drug is an anticholinesterase agent which reversibly binds with and inactivates cholinesterases. This inhibits the hydrolysis of acetylcholine released from functioning cholinergic neurons, thus leading to an accumulation of acetylcholine at cholinergic synapses. The result is a prolonged effect of acetylcholine. D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors KEIO_ID A123
4,4'-Methylenedianiline
4,4’-Methylenedianiline (MDA) is an industrial chemical that is produced and used industrially as a precursor to polyamides, epoxy resins, and polyurethane foams (PMID: 20621954). It is a primary aromatic amine, belonging to the family of compounds known as Diphenylmethanes. Diphenylmethanes are compounds consisting of methane with two of the hydrogen atoms replaced by phenyl groups. MDA is used mainly as a precursor to 4,4 ́-methylene diphenyl diisocyanate (MDI), which is a precursor to many polyurethane foams. To generate MDI, which is a highly reactive isocyanate, MDA is treated with phosgene. Workers exposed to MDI may develop sensitization, leading to occupational asthma. MDI is metabolized in the body and secreted in the urine as MDA, Therefore MDA is a urinary biomarker of MDI exposure. On its own, MDA is a known animal carcinogen, and human hepatotoxin. MDA produces genotoxic effects by forming DNA adducts in the liver and inducing DNA damage to hepatocytes (PMID: 32038824). The Occupational Safety and Health Administration has set a permissible exposure limit at 0.01 ppm over an eight-hour time-weighted average, and a short-term exposure limit at 0.10 ppm. D009676 - Noxae > D002273 - Carcinogens
Metharbital
Metharbital is only found in individuals that have used or taken this drug. It was patented in 1905 by Emil Fischer working for Merck. It was marketed as Gemonil by Abbott Laboratories. It is a barbiturate anticonvulsant, used in the treatment of epilepsy. It has similar properties to phenobarbital. Metharbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Dibenzyl ether
Dibenzyl ether, also known as benzyl oxide or fema 2371, belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene). Dibenzyl ether is a sweet, almond, and cherry tasting compound. Dibenzyl ether has been detected, but not quantified, in dills. This could make dibenzyl ether a potential biomarker for the consumption of these foods. Flavouring ingredient. Dibenzyl ether is found in dill.
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
1-Phenyl-2-(pyridin-2-yl)ethanamine
(Rac)-Lanicemine ((Rac)-AZD6765) is the racemate of Lanicemine. Lanicemine (AZD6765) is a low-trapping NMDA channel blocker (Ki of 0.56-2.1?μM for NMDA receptor; IC50s of 4-7?μM and 6.4 μM in CHO and Xenopus oocyte cells, respectively). Antidepressant effects[1].
Chamaviolin
Chamaviolin is a member of the class of compounds known as guaianes. Guaianes are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively. Chamaviolin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Chamaviolin can be found in german camomile, which makes chamaviolin a potential biomarker for the consumption of this food product.
(E)-form-6-Tetradecene-8,10,12-triyn-3-one|6-Tetradecene-8,10,12-triyn-3-one|Artemisiaketon|Tetradec-6t-en-8,10,12-triin-3-on|tetradec-6t-ene-8,10,12-triyn-3-one|trans-Tetradecen-(8)-triin-(2.4.6)-on-(12)
9-(1,1-dimethylprop-2-enyloxy)non-trans-7-ene-1,3,5-triyne
4,6-Tetradecadiene-8,10,12-triyn-1-ol|all-trans-1-Hydroxy-tetradecadien-(4.6)-triin-(8.10.12)|tetradeca-4,6-dien-8,10,12-triyne-1-ol|tetradeca-4,6-diene-8,10,12-triyn-1-ol|tetradeca-4t,6t-diene-8,10,12-triyn-1-ol
PROBARBITAL
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives
C9H14N2O3_(3S,8aS)-3-[(1R)-1-Hydroxyethyl]hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Tacrine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6299; ORIGINAL_PRECURSOR_SCAN_NO 6297 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6327; ORIGINAL_PRECURSOR_SCAN_NO 6325 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6332; ORIGINAL_PRECURSOR_SCAN_NO 6331 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6338; ORIGINAL_PRECURSOR_SCAN_NO 6337 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6352; ORIGINAL_PRECURSOR_SCAN_NO 6351 CONFIDENCE standard compound; INTERNAL_ID 499; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6355; ORIGINAL_PRECURSOR_SCAN_NO 6351
Terbuthylazine-TP CSCD648241 (LM6)
CONFIDENCE standard compound; UCHEM_ID 4175
metharbital
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
1H-Benzimidazole,2-(2-cyclopenten-1-ylmethyl)-(9CI)
2-[5-(cyanomethyl)-1,3,5-trimethylcyclohex-3-en-1-yl]acetonitrile
TERT-BUTYL 4-(HYDROXYMETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE
2-({6-[(2-HYDROXYETHYL)AMINO]PYRIDAZIN-3-YL}AMINO)ETHAN-1-OL
2,3-Dihydro-5-methyl-1H-cyclopenta[b]quinolin-9-amine
1-Cyclopentene-1-carboxylicacid,2-(2-acetylhydrazino)-,methylester(9CI)
2,3-Dihydro-7-methyl-1H-cyclopenta[b]quinolin-9-amine
ethyl 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetate
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
4-Pyridinecarbonitrile,1,2,3,6-tetrahydro-1-(phenylmethyl)-
2-(dimethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate
3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)-
3-Indolizinecarboxylicacid,6-aminooctahydro-5-oxo-(9CI)
2-Phenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
Mebicar
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C78272 - Agent Affecting Nervous System Tetramethylglycerol (Tetramethylglycoluril) is a small molecule that acts on GABA Receptor, with anti-anxiety activity[1].
4-(Tert-butylamino)-6-hydroxy-1-methyl-1,3,5-triazin-2(1H)-one
1-[2-Methyl-3-(methylthio) allyl]cyclohex-2-enol
1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is classified as a member of the tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol is considered to be a practically insoluble (in water) and a very weak acidic compound. 1-[2-methyl-3-(methylthio) allyl]cyclohex-2-enol can be found in feces.
Ecgononium methyl ester(1+)
An organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3.
Dibenzyl ether
A benzyl ether in which the oxygen atom is connected to two benzyl groups.
5-hydroxy-6-(1-methoxyethyl)-1-methyl-3-methylidene-6h-pyrazin-2-one
2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine
{"Ingredient_id": "HBIN005961","Ingredient_name": "2-methyl-3-(2',3',4'-trihydroxy-butyl)pyrazine","Alias": "2-methyl-3-(2',3',4'-trihydroxybutyl)pyrazine","Ingredient_formula": "C9H14N2O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31690;14772","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol
{"Ingredient_id": "HBIN010040","Ingredient_name": "4,5-epoxy-6-tetradecene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "NA","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "17098-67-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7912","PubChem_id": "NA","DrugBank_id": "NA"}
4,6-tetradecadiene-8,10,12-triyn-1-ol
{"Ingredient_id": "HBIN010086","Ingredient_name": "4,6-tetradecadiene-8,10,12-triyn-1-ol","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CC#CC#CC#CC=CC=CCCCO","Ingredient_weight": "198.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7899","PubChem_id": "71353587","DrugBank_id": "NA"}
6-tetradecene-8,10,12-triyn-3-one
{"Ingredient_id": "HBIN012826","Ingredient_name": "6-tetradecene-8,10,12-triyn-3-one","Alias": "NA","Ingredient_formula": "C14H14O","Ingredient_Smile": "CCC(=O)CCC=CC#CC#CC#CC","Ingredient_weight": "198.26","OB_score": "NA","CAS_id": "37064-08-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7519","PubChem_id": "5321840","DrugBank_id": "NA"}
