Exact Mass: 136.0888
Exact Mass Matches: 136.0888
Found 500 metabolites which its exact mass value is equals to given mass value 136.0888,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phenelzine
Phenelzine is only found in individuals that have used or taken this drug. It is an irreversible non-selective inhibitor of monoamine oxidase. May be used to treat major depressive disorder.Although the exact mechanism of action has not been determined, it appears that the irreversible, nonselective inhibition of MAO by phenelzine relieves depressive symptoms by causing an increase in the levels of serotonin, norepinephrine, and dopamine in the neuron. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Tetrahydropteridine
Tetrahydrobiopterin serves well-characterized cofactor functions for hydroxylating aromatic amino acids and ether lipids and for formation of nitric oxide (NO) from L-arginine. Formation of NO involves two cycles of oxidation of Tetrahydrobiopterin to its radical with subsequent rehydroxylation into Tetrahydrobiopterin, one for reduction of the heme-bound arginine-Fe(II)O2 complex of NO synthase (NOS), the other for reduction of the N-hydroxy-L-arginine-Fe(II)O2 complex. Tetrahydrobiopterin-dependent glyceryl ether monooxygenase (EC 1.14.16.5) is found not only in liver and the gastrointestinal tract but also in brain and other organs (this enzyme plays an essential role in conjugation with the cleavage enzyme in the regulation of cellular levels of -alkyl moieties in glycerolipids). Tetrahydrobiopterin is essential for the enzymatic reaction of tyrosine 3-monooxygenase (EC 1.14.16.2) for the first step in the biosynthesis of catecholamines such as norepinephrine, epinephrine and dopamine. Limited Tetrahydrobiopterin availability not only decreases formation of NO but also causes NOS-derived superoxide/hydrogen peroxide production leading to formation of peroxynitrite as well as S-nitrosoglutathione. As a consequence of its oxygen-activating potential, Tetrahydrobiopterin is also subject to autoxidation in a free radical chain reaction in leading to formation of superoxide and finally to hydrogen peroxide. On the other hand, Tetrahydrobiopterin, like other H4-pterins, can scavenge reactive oxygen species and peroxynitrite. Thus, Tetrahydrobiopterin may have opposing effects in various biological systems depending on whether its cofactor roles outweigh its chemical reactivity or vice versa. Sepiapterin reductase (EC 1.1.1.153) catalyzes the reduction of tetrahydro-sepiapterin to tetrahydrobiopterin -the terminal step in this biosynthetic pathway for tetrahydrobiopterin. This reaction is N-acetyl-serotonin-sensitive and can completely inhibit tetrahydrobiopterin synthesis. (PMID: 3881214, 17303893, 3756924, 15223071) [HMDB] Tetrahydrobiopterin serves well-characterized cofactor functions for hydroxylating aromatic amino acids and ether lipids and for formation of nitric oxide (NO) from L-arginine. Formation of NO involves two cycles of oxidation of Tetrahydrobiopterin to its radical with subsequent rehydroxylation into Tetrahydrobiopterin, one for reduction of the heme-bound arginine-Fe(II)O2 complex of NO synthase (NOS), the other for reduction of the N-hydroxy-L-arginine-Fe(II)O2 complex. Tetrahydrobiopterin-dependent glyceryl ether monooxygenase (EC 1.14.16.5) is found not only in liver and the gastrointestinal tract but also in brain and other organs (this enzyme plays an essential role in conjugation with the cleavage enzyme in the regulation of cellular levels of -alkyl moieties in glycerolipids). Tetrahydrobiopterin is essential for the enzymatic reaction of tyrosine 3-monooxygenase (EC 1.14.16.2) for the first step in the biosynthesis of catecholamines such as norepinephrine, epinephrine and dopamine. Limited Tetrahydrobiopterin availability not only decreases formation of NO but also causes NOS-derived superoxide/hydrogen peroxide production leading to formation of peroxynitrite as well as S-nitrosoglutathione. As a consequence of its oxygen-activating potential, Tetrahydrobiopterin is also subject to autoxidation in a free radical chain reaction in leading to formation of superoxide and finally to hydrogen peroxide. On the other hand, Tetrahydrobiopterin, like other H4-pterins, can scavenge reactive oxygen species and peroxynitrite. Thus, Tetrahydrobiopterin may have opposing effects in various biological systems depending on whether its cofactor roles outweigh its chemical reactivity or vice versa. Sepiapterin reductase (EC 1.1.1.153) catalyzes the reduction of tetrahydro-sepiapterin to tetrahydrobiopterin -the terminal step in this biosynthetic pathway for tetrahydrobiopterin. This reaction is N-acetyl-serotonin-sensitive and can completely inhibit tetrahydrobiopterin synthesis. (PMID: 3881214, 17303893, 3756924, 15223071).
4-Propylphenol
4-Propylphenol is a flavouring ingredien Flavouring ingredient
phenylurea
CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5795; ORIGINAL_PRECURSOR_SCAN_NO 5793 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1376; ORIGINAL_PRECURSOR_SCAN_NO 1371 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1366; ORIGINAL_PRECURSOR_SCAN_NO 1365 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5837; ORIGINAL_PRECURSOR_SCAN_NO 5833 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 1029; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5835; ORIGINAL_PRECURSOR_SCAN_NO 5832
Tetramethylpyrazine
Tetramethylpyrazine, or 2,3,5,6-tetramethylpyrazine, or TMP and also known as FEMA 3237, is an alkylpyrazine and belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Tetramethylpyrazine is a moderately basic compound with white crystals that are soluble in alcohol, fixed oils, propylene glycol and water. Its odor is described as nutty, musty and vanilla with dry, brown cocoa nuances and it taste is described as nutty, musty, cocoa, drying, peanut-like with raw coffee notes. Tetramethylpyrazine has been detected in roasted beef, cheddar cheese, dairy products, red and yellow bell peppers (c. annuum), potato, filberts, boiled egg, coconut endosperm, cocoa products, green tea, tea leaf, soybean products, soybean seed, macadamia nut, peanut, meat, guava fruit, shrimp, rum and whiskey. This could make tetramethylpyrazine a potential biomarker for the consumption of these foods. It has been used as a perfuming agent in soaps, detergents, toiletries, fabric softeners, bleach, alcoholic beverages, and fine fragrances. Its biosynthesis in Bacillus involves the amination of acetoin, the latter being derived from pyruvate (doi:10.1038/1951103a0). It exhibits potential nootropic (improved executive function PMID:23916742) and anti-inflammatory activities against induced cerebral ischemic in rats (PMID:23644042). Tetramethylpyrazine is a member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii). It has a role as an antineoplastic agent, an apoptosis inhibitor, a neuroprotective agent, a vasodilator agent, a platelet aggregation inhibitor and a bacterial metabolite. It is a member of pyrazines and an alkaloid. 2,3,5,6-Tetramethylpyrazine is a natural product found in Coffea arabica, Curcuma aromatica, and other organisms with data available. Tetramethylpyrazine is isolated from galbanum oil. It is found in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products, orange bell pepper and soy products. Used as a fragrance and flavouring ingredient. A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii). D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Ligustrazine (Chuanxiongzine), an alkylpyrazine isolated from Ligusticum chuanxiong Hort. (Chuan Xiong)[1], is present in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products and soy products as fragrance and flavouring ingredienexhibits. Ligustrazine also has potential nootropic and anti-inflammatory activities in rats[2][3]. Ligustrazine (Chuanxiongzine), an alkylpyrazine isolated from Ligusticum chuanxiong Hort. (Chuan Xiong)[1], is present in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products and soy products as fragrance and flavouring ingredienexhibits. Ligustrazine also has potential nootropic and anti-inflammatory activities in rats[2][3].
6-Ethyl-o-cresol
6-Ethyl-o-cresol belongs to the family of Ortho Cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2]. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2].
N-Methylnicotinamide
N-methylnicotinamide is a pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. N-methylnicotinamide is a metabolite of niacin (or nicotinamide) and is commonly found in human urine. However low levels of urinary excretion of N-methylnicotinamide indicates niacin deficiency. (PMID:16207585). In patients with liver cirrhosis nicotinamide methylation is increased leading to a rise in urinary N-methylnicotinamide. The hyperfunction of this methylating pathway might play a protective role against the toxic effect of intracellular accumulation of nicotinamide deriving from the catabolic state of cirrhosis. N-methylnicotinamide is known to inhibit choline transport and reduce choline clearance out of the brain. N-methylnicotinamide has been found to be a microbial metabolite. N-methylnicotinamide is a metabolite of niacin (or nicotinamide) and is commonly found in human urine. However low levels of urinary excretion of N-methylnicotinamide indicates niacin deficiency. (PMID: 16207585). In patients with liver cirrhosis nicotinamide methylation is increased leading to a rise in urinary N-methylnicotinamide. The hyperfunction of this methylating pathway might play a protective role against the toxic effect of intracellular accumulation of nicotinamide deriving from the catabolic state of cirrhosis. N-methylnicotinamide is known to inhibit choline transport and reduce choline clearance out of the brain. [HMDB] A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.
2-Aminobenzamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents Acetaldehyde scavenger for polyethylene beverage bottles. Acetaldehyde scavenger for polyethylene beverage bottles D004396 - Coloring Agents > D005456 - Fluorescent Dyes
2,3,6-Trimethylphenol
2,3,6-Trimethylphenol is a flavouring ingredien Flavouring ingredient
2,4,6-Trimethylphenol
2,4,6-Trimethylphenol 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 . 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
2-Methylnicotinamide
2-Methylnicotinamide is a member of the class of compounds known as nicotinamides. Nicotinamides are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. 2-methylnicotinamide is soluble (in water) and a very weakly acidic compound (based on its pKa).
Betahistine
Betahistine is only found in individuals that have used or taken this drug. It is an antivertigo drug first used for treating vertigo assosicated with Menieres disease. It is also commonly used for patients with balance disorders.Betahistine primarily acts as a histamine H1-agonist with 0.07 times the activity of histamine. Stimulating the H1-receptors in the inner ear causes a vasodilatory effect and increased permeability in the blood vessels which results in reduced endolymphatic pressure. Betahistine is believed to act by reducing the asymmetrical functioning of sensory vestibular organs as well as by increasing vestibulocochlear blood flow. Doing so aids in decreasing symptoms of vertigo and balance disorders. Betahistine also acts as a histamine H3-receptor antagonist which causes an increased output of histamine from histaminergic nerve endings which can further increase the direct H1-agonist activity. Furthermore, H3-receptor antagonism increases the levels of neurotransmitters such as serotonin in the brainstem, which inhibits the activity of vestibular nuclei, helping to restore proper balance and decrease in vertigo symptoms. N - Nervous system > N07 - Other nervous system drugs > N07C - Antivertigo preparations > N07CA - Antivertigo preparations D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine is used for the study of rheumatoid arthritis (RA)[3].
1,2-Diacylglycerol-LD-PE-pool
1,2-Diacylglycerol-LD-PE-pool, also known as Auxitrans or Hydrafuca, is classified as a member of the Primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). 1,2-Diacylglycerol-LD-PE-pool is considered to be soluble (in water) and relatively neutral A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
2,5-Diethylpyrazine
2,5-Diethylpyrazine is found in coffee and coffee products. 2,5-Diethylpyrazine is a constituent of roasted coffee beans. 2,5-Diethylpyrazine is used in food flavouring. Constituent of roasted coffee beans. It is used in food flavouring. 2,5-Diethylpyrazine is found in coffee and coffee products.
2-Ethyl-3,(5 or 6)-dimethylpyrazine
3-Ethyl-2,5-dimethylpyrazine is found in coffee and coffee products. 3-Ethyl-2,5-dimethylpyrazine is isolated from coffee. 2-Ethyl-3,(5 or 6)-dimethylpyrazine is a constituent of numerous cooked foods. 3-Ethyl-2,5-dimethylpyrazine is organoleptic agent with nutty roasted odour. Isolated from coffee. Constituent of numerous cooked foods. Organoleptic agent with nutty roasted odour. 3-Ethyl-2,5-dimethylpyrazine is found in tea, soft-necked garlic, and coffee and coffee products.
2-Deoxy-D-ribitol
2-Deoxy-D-ribitol is found in herbs and spices. 2-Deoxy-D-ribitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 2-Deoxy-D-ribitol is found in herbs and spices.
1-Deoxy-D-ribitol
1-Deoxy-D-xylitol is found in herbs and spices. 1-Deoxy-D-xylitol is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 1-Deoxy-D-xylitol is found in herbs and spices.
5-Ethyl-2,3-dimethylpyrazine
Constituent of Galbanum oil. 5-Ethyl-2,3-dimethylpyrazine is found in many foods, some of which are green bell pepper, herbs and spices, orange bell pepper, and yellow bell pepper. 5-Ethyl-2,3-dimethylpyrazine is found in herbs and spices. 5-Ethyl-2,3-dimethylpyrazine is a constituent of Galbanum oil
3-Deoxy-D-arabinitol
3-Deoxy-D-arabinitol is found in herbs and spices. 3-Deoxy-D-arabinitol is a constituent of the fruit of Foeniculum vulgare (fennel)
3-Phenyl-1-propanol
Occurs in storax and fern balsamand is also present in Vaccinium subspecies fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. Flavouring ingredient. 3-Phenyl-1-propanol is found in many foods, some of which are highbush blueberry, bilberry, mushrooms, and alcoholic beverages. 3-Phenyl-1-propanol is found in alcoholic beverages. 3-Phenyl-1-propanol occurs in storax and fern balsam. Also present in Vaccinium species fruits, guava fruit and peel, blackberry, other fruits, rum, white wine, shitake mushroom, matsutake mushroom and peated malt. 3-Phenyl-1-propanol is a flavouring ingredient.
2-Methylerythritol
2-C-methyl-D-erythritol is a soluble carbohydrate that is found in certain higher plants. In particular, it can be found in the petals, leaves and stems of certain flowering plants (PMID: 15384409). 2-Methylerythritol or 2-C-methyl-D-erythritol is likely a dephosphorylated form of 2-C-methyl-D-erythritol-4-phosphate. 2-C-methyl-D-erythritol-4-phosphate (MEP) is a central component to the non-mevalonate pathway for isoprenoid synthesis. This pathway is unique to certain gram negative and a few gram positive bacteria as well as plants and apicomplexan protozoa such as malaria parasites. Isoprenoid compounds are a diverse group of natural products that are essential components in all cells. Isoprenoids are biosynthesized from the simple precursors isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP). IPP and DMAPP serve as the basis for the biosynthesis of molecules used in processes as diverse as protein prenylation, cell membrane maintenance, hormones, protein anchoring and N-glycosylation. 2-Methylerythritol is occasionally found in human urine specimens and is believed to be from exogenous dietary sources (plant products, leafy salads) or possibly produced by certain species of gut microflora. 2-C-methyl-D-erythritol is a soluble carbohydrate that can be found in higher plants (PMID: 15384409) [HMDB]
2-Ethyl-5-methylphenol
2-Ethyl-5-methylphenol is found in cereals and cereal products. 2-Ethyl-5-methylphenol is a constituent of Angelica species. It is a metabolite of Penicillium species on barley. Constituent of Angelica subspecies Metabolite of Penicillium subspecies on barley. 2-Ethyl-5-methylphenol is found in cereals and cereal products.
1,2-Diacylglycerol-Bile-PC-pool
1,2-Diacylglycerol-Bile-PC-pool, also known as 1-Phenylurea or amino-N-Phenylamide, is classified as a member of the N-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. 1,2-Diacylglycerol-Bile-PC-pool is considered to be slightly soluble (in water) and acidic
(2-Methoxyethyl)benzene
(2-Methoxyethyl)benzene is a flavouring ingredient. It is isolated from the famine food Pandanus odoratissimu Flavouring ingredient. Isolated from the famine food Pandanus odoratissimus.
2-Isopropylphenol
2-Isopropylphenol, also known as O-cumenol or O-hydroxycumene, belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. 2-Isopropylphenol is a creosote, medicinal, and phenolic tasting compound. It has been detected in some species of the plant genus Haplopappus (PMID:10725607). Flavouring ingredient
4-Ethyl-2-methylphenol
4-Ethyl-2-methylphenol is found in coffee and coffee products. 4-Ethyl-2-methylphenol is a constituent of coffee. Constituent of coffee. 4-Ethyl-2-methylphenol is found in coffee and coffee products.
3-Ethyl-5-methylphenol
3-Ethyl-5-methylphenol is found in cereals and cereal products. 3-Ethyl-5-methylphenol is isolated from grains of wild rice (Zizania aquatica). Isolated from grains of wild rice (Zizania aquatica). 3-Ethyl-5-methylphenol is found in cereals and cereal products.
p-Isopropylphenol
p-Isopropylphenol is found in cumin. p-Isopropylphenol occurs in oil of Eucalyptus sp. [CCD Occurs in oil of Eucalyptus species [CCD]. p-Isopropylphenol is found in cumin.
(±)-1-(4-Methylphenyl)ethanol
(±)-1-(4-methylphenyl)ethanol is a member of the class of compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group (±)-1-(4-methylphenyl)ethanol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (±)-1-(4-methylphenyl)ethanol can be found in green vegetables, which makes (±)-1-(4-methylphenyl)ethanol a potential biomarker for the consumption of this food product. xi-1-(4-Methylphenyl)ethanol is found in green vegetables. xi-1-(4-Methylphenyl)ethanol is isolated from rhizomes of Curcuma domestica.
3-Ethyl-4-methylphenol
3-Ethyl-4-methylphenol is found in cereals and cereal products. 3-Ethyl-4-methylphenol is a constituent of wild rice grains (Zizania aquatica). Constituent of wild rice grains (Zizania aquatica). 3-Ethyl-4-methylphenol is found in cereals and cereal products.
2-Ethyl-4-methylphenol
Constituent of coffee and hops. 2-Ethyl-4-methylphenol is found in cereals and cereal products and coffee and coffee products. 2-Ethyl-4-methylphenol is found in cereals and cereal products. 2-Ethyl-4-methylphenol is a constituent of coffee and hops.
2-Ethyl-3,5-dimethylpyrazine
Isolated from coffee aromaand is) also present in raw asparagus, wheat bread, other breads, smoked fatty fish, roast chicken, roast beef, lamb and mutton liver, black tea, hydrolyzed soy protein and other foods. Organoleptic agent. Flavouring agent. 2-Ethyl-3,5-dimethylpyrazine is found in many foods, some of which are animal foods, coffee and coffee products, tea, and cereals and cereal products. 2-Ethyl-3,5-dimethylpyrazine is found in animal foods. 2-Ethyl-3,5-dimethylpyrazine is isolated from coffee aroma. Also present in raw asparagus, wheat bread, other breads, smoked fatty fish, roast chicken, roast beef, lamb and mutton liver, black tea, hydrolyzed soy protein and other foods. 2-Ethyl-3,5-dimethylpyrazine is organoleptic agent. 2-Ethyl-3,5-dimethylpyrazine is a flavouring agent.
2,6-Diethylpyrazine
2,6-Diethylpyrazine is found in coffee and coffee products. 2,6-Diethylpyrazine is a constituent of roasted coffee beans. 2,6-Diethylpyrazine is used in food flavouring. Constituent of roasted coffee beans. It is used in food flavouring. 2,6-Diethylpyrazine is found in coffee and coffee products.
1-Phenyl-1-propanol
(±)-1-Phenyl-1-propanol is a flavouring ingredien It is used as a food additive . 1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant agent Fluoxetine[1][2].
2-Acetyl-3-methylpyrazine
2-Acetyl-3-methylpyrazine is found in cereals and cereal products. Aroma constituent of spiny lobster (Panulirus argus) roasted sesame see
Benzyl ethyl ether
Benzyl ethyl ether is found in cocoa and cocoa products. Benzyl ethyl ether is present in cocoa. Benzyl ethyl ether is a flavouring agent Present in cocoa. Flavouring agent. Benzyl ethyl ether is found in cocoa and cocoa products. (Ethoxymethyl)benzene is an endogenous metabolite.
2-Phenyl-1-propanol
(±)-2-Phenyl-1-propanol is a flavouring agent Flavouring agent
1-Methoxy-2,4-dimethylbenzene
1-Methoxy-2,4-dimethylbenzene is found in milk and milk products. 1-Methoxy-2,4-dimethylbenzene is a food addiitive listed in the EAFUS food Additive Database (Jan 2001). 1-Methoxy-2,4-dimethylbenzene is found in camembert cheese. 1-Methoxy-2,4-dimethylbenzene is a food flavou
Nona-2,4,6-trienal
Nona-2,4,6-trienal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Propylphenol
2-Propylphenol is a flavouring ingredien Flavouring ingredient
2-Isopropyl-5-methylpyrazine
Present in boiled potato, coffee aroma, cocoa butter, fish sauce and roasted earth-almond (Cyperus esculentus). 2-Isopropyl-5-methylpyrazine is found in many foods, some of which are cocoa and cocoa products, potato, root vegetables, and coffee and coffee products. 2-Isopropyl-5-methylpyrazine is found in cocoa and cocoa products. 2-Isopropyl-5-methylpyrazine is present in boiled potato, coffee aroma, cocoa butter, fish sauce and roasted earth-almond (Cyperus esculentus).
4-Acetyl-2-methylpyrimidine
4-Acetyl-2-methylpyrimidine is found in animal foods. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. 4-Acetyl-2-methylpyrimidine is present in cooked meats. 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. It is found in cooked meats and other animal foods.
2-(1-Pentenyl)furan
Component of reversion flavour in soybean oil. Aroma volatile of cooked pork and boiled potato. 2-(1-Pentenyl)furan is found in fats and oils, animal foods, and potato. 2-(1-Pentenyl)furan is found in animal foods. 2-(1-Pentenyl)furan is a component of reversion flavour in soybean oil. Aroma volatile of cooked pork and boiled potato.
2-Methyl-5-propylpyrazine
Constituent of roasted peanut, cocoa, yeast extract, roasted sesame, cooked pork, coffee aroma, roasted chicory and roasted wheat germ. 2-Methyl-5-propylpyrazine is found in many foods, some of which are animal foods, green vegetables, coffee and coffee products, and cocoa and cocoa products. 2-Methyl-5-propylpyrazine is found in animal foods. 2-Methyl-5-propylpyrazine is a constituent of roasted peanut, cocoa, yeast extract, roasted sesame, cooked pork, coffee aroma, roasted chicory and roasted wheat germ.
2-Methyl-3-propylpyrazine
2-Methyl-3-propylpyrazine is a flavour component of cooked foods. Flavour component of cooked foods
2,3-Diethylpyrazine
2,3-Diethylpyrazine belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2,3-Diethylpyrazine is a moderately basic compound (based on its pKa). 2,3-Diethylpyrazine is a green, hazelnut, and nutty-tasting compound. Outside of the human body, 2,3-diethylpyrazine has been detected, but not quantified in a few different foods such as cereals and cereal products, nuts, and potato. It occurs naturally in asparagus, black or green tea, crispbread, malt, shrimp, soya, squid, Swiss cheeses, French fries, malt, peated malt, roasted barley, wild rice (Zizania aquatica), and wort. This could make 2,3-diethylpyrazine a potential biomarker for the consumption of these foods. 2,3-Diethylpyrazine is an alkylpyrazine. These are chemical compounds based on pyrazine with different substitution patterns and are formed during the cooking of some foods via Maillard reactions. 2,3-Diethylpyrazine is a flavour component in cooked foods (e.g. baked potato, wheat bread, and roasted filbert). 2,3-Diethylpyrazine is a flavouring ingredient, additive, and odorant in foods such as cereals and products such as cigarettes. 2,3-Diethylpyrazine is a component of the aroma of roasted sesame seeds. Flavour component in cooked foods, e.g. baked potato, wheat bread and roasted filbert. Flavouring ingredient. 2,3-Diethylpyrazine is found in cereals and cereal products, nuts, and potato.
2,3,5-Trimethylphenol
2,3,5-trimethylphenol, also known as 1-hydroxy-2,3,5-trimethylbenzene or isopseudocumenol, is a member of the class of compounds known as ortho cresols. Ortho cresols are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. 2,3,5-trimethylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,3,5-trimethylphenol can be synthesized from 1,2,4-trimethylbenzene. 2,3,5-trimethylphenol can also be synthesized into 2,3,5-trimethylphenyl methylcarbamate. 2,3,5-trimethylphenol can be found in arabica coffee, which makes 2,3,5-trimethylphenol a potential biomarker for the consumption of this food product.
6-Methylnicotinamide
6-Methylnicotinamide, a derivate of nicotinamide, is an endogenous metabolite. A sudden increase of 6-methylnicotinamide in the acute stages of intracerebral hemorrhage (ICH) exacerbates neurological damages[1].
3-aminobenzamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D011838 - Radiation-Sensitizing Agents D020011 - Protective Agents D004791 - Enzyme Inhibitors
4-Aminobenzamide
CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5795; ORIGINAL_PRECURSOR_SCAN_NO 5793 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1366; ORIGINAL_PRECURSOR_SCAN_NO 1365 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1380; ORIGINAL_PRECURSOR_SCAN_NO 1377 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1367; ORIGINAL_PRECURSOR_SCAN_NO 1364 CONFIDENCE standard compound; INTERNAL_ID 912; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1353; ORIGINAL_PRECURSOR_SCAN_NO 1351 CONFIDENCE standard compound; INTERNAL_ID 2762 CONFIDENCE standard compound; INTERNAL_ID 8659 CONFIDENCE standard compound; INTERNAL_ID 8114 CONFIDENCE standard compound; INTERNAL_ID 4136
(E)-3-(1H-Pyrrol-3-yl)-2-propensaeureamid|(E)-3-(1H-pyrrol-3-yl)prop-2-enamide|Amide-(E)-3-(1H-Pyrrol-3-yl)-2-propencic acid
Phenelzine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
N-Methylnicotinamide
A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy > A05AB - Preparations for biliary tract therapy A pyridinecarboxamide that is nicotinamide in which one of the amide hydrogens is substituted by a methyl group. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ZYVXHFWBYUDDBM-UHFFFAOYSA-N_STSL_0209_N-Methylnicotinamide_0031fmol_180831_S2_L02M02_80; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. N-Methylnicotinamide is an endogenous metabolite. N-Methylnicotinamide is an endogenous metabolite.
betahistine
N - Nervous system > N07 - Other nervous system drugs > N07C - Antivertigo preparations > N07CA - Antivertigo preparations D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Betahistine is an orally active histamine H1 receptor agonist and a H3 receptor antagonist[1]. Betahistine is used for the study of rheumatoid arthritis (RA)[3].
Mesitol
2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
Ligustizine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Ligustrazine (Chuanxiongzine), an alkylpyrazine isolated from Ligusticum chuanxiong Hort. (Chuan Xiong)[1], is present in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products and soy products as fragrance and flavouring ingredienexhibits. Ligustrazine also has potential nootropic and anti-inflammatory activities in rats[2][3]. Ligustrazine (Chuanxiongzine), an alkylpyrazine isolated from Ligusticum chuanxiong Hort. (Chuan Xiong)[1], is present in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products and soy products as fragrance and flavouring ingredienexhibits. Ligustrazine also has potential nootropic and anti-inflammatory activities in rats[2][3].
4-(Methylamino)benzylamine, [4-(Methylamino)phenyl]methylamine
Ethanone, 1-(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl-,rel
2-(5-methylpyridin-2-yl)ethanamine dihydrochloride
Pyrimido[5,4-d]pyrimidine, 1,2,3,4-tetrahydro- (8CI)
(5-METHYL-1,3,4-OXADIAZOL-2-YL)METHYLAMINE HYDROCHLORIDE
Pyrrolo[1,2-a]pyrimidin-6(2H)-one, 3,4-dihydro- (9CI)
1H-Imidazole,1-methyl-4-(1-methyl-1-propenyl)-,(E)-(9CI)
3-Pyridinemethanamine,alpha,6-dimethyl-,(alphaS)-(9CI)
α-Cumyl alcohol
Alpha,alpha-dimethylbenzyl alcohol, also known as 2-phenyl-2-propanol or alpha-cumyl alcohol, is a member of the class of compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. Alpha,alpha-dimethylbenzyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Alpha,alpha-dimethylbenzyl alcohol can be found in pot marjoram, which makes alpha,alpha-dimethylbenzyl alcohol a potential biomarker for the consumption of this food product.
1H-Imidazole,1-methyl-2-(2-methylcyclopropyl)-(9CI)
1H-Imidazo[4,5-b]pyridin-2-amine,5,6-dihydro-(9CI)
1-METHYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
Phenyltrimethylammonium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Fluoroethylcholine ion F-18
C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
PENTAERYTHRITOL
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives
phenyl propanol
1-Phenyl-1-propanol is used as a chiral building block and synthetic intermediate in the pharmaceutical industries. 1-Phenyl-1-propanol is an intermediate of anti-depressant agent Fluoxetine[1][2].
Bs factor
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Ligustrazine (Chuanxiongzine), an alkylpyrazine isolated from Ligusticum chuanxiong Hort. (Chuan Xiong)[1], is present in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products and soy products as fragrance and flavouring ingredienexhibits. Ligustrazine also has potential nootropic and anti-inflammatory activities in rats[2][3]. Ligustrazine (Chuanxiongzine), an alkylpyrazine isolated from Ligusticum chuanxiong Hort. (Chuan Xiong)[1], is present in french fries, bread, cooked meats, tea, cocoa, coffee, beer, spirits, peanuts, filberts, dairy products and soy products as fragrance and flavouring ingredienexhibits. Ligustrazine also has potential nootropic and anti-inflammatory activities in rats[2][3].
1687-64-5
2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2]. 2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2].
Mesity alcohol
2,4,6-trimethylphenol is a member of the class of compounds known as para cresols. Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4. 2,4,6-trimethylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2,4,6-trimethylphenol has a mild and phenolic taste. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
2-Methylerythritol
A tetritol that is erythritol substituted by a methyl group at position 2.
2-Phenylpropan-2-ol
A tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
2-Propylphenol
A member of the class of phenols that is phenol which is substituted by a propyl group at position 2.
2,4,6-TRIMETHYLPHENOL
2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2]. 2,4,6-Trimethylphenol is a probe compound shown to react mainly with organic matter (3DOM*). 2,4,6-Trimethylphenol is rapidly oxidized by singlet oxygen in aqueous solution[1][2].
(2E,4E,6E)-nonatrienal
A nona-2,4,6-trienal in which all three double bonds adopt trans-configurations.
(2E,4E,6Z)-nonatrienal
A nona-2,4,6-trienal in which the double bonds at positions 2 and 4 adopt trans-configuration and the double bond at position 6 adopts cis-configuration.
1-deoxy-d-lyxitol
{"Ingredient_id": "HBIN002478","Ingredient_name": "1-deoxy-d-lyxitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15001","TCMID_id": "5191","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-deoxy-d-xylitol
{"Ingredient_id": "HBIN002480","Ingredient_name": "1-deoxy-d-xylitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5219","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10796790","DrugBank_id": "NA"}
1-deoxy-l-arabinitol
{"Ingredient_id": "HBIN002483","Ingredient_name": "1-deoxy-l-arabinitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(C(C(CO)O)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5153","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "90146781","DrugBank_id": "NA"}
1-deoxyxylitol
{"Ingredient_id": "HBIN002490","Ingredient_name": "1-deoxyxylitol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "NA","Ingredient_weight": "136.15","OB_score": "NA","CAS_id": "68832-17-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9216","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-Hydroxyethyl)norbornadiene
{"Ingredient_id": "HBIN003576","Ingredient_name": "2-(1-Hydroxyethyl)norbornadiene","Alias": "NA","Ingredient_formula": "C9H12O","Ingredient_Smile": "CC(C1=CC2CC1C=C2)O","Ingredient_weight": "136.19 g/mol","OB_score": "81.65071648","CAS_id": "NA","SymMap_id": "SMIT13596","TCMID_id": "NA","TCMSP_id": "MOL012870","TCM_ID_id": "NA","PubChem_id": "548766","DrugBank_id": "NA"}
2,6,6-Trimethylcyclohexa-2,4-dienone
{"Ingredient_id": "HBIN004855","Ingredient_name": "2,6,6-Trimethylcyclohexa-2,4-dienone","Alias": "EINECS 236-800-3; 2,6,6-trimethylcyclohexa-2,4-dien-1-one; 2,4-cyclohexadien-1-one, 2,6,6-trimethyl-; InChI=1/C9H12O/c1-7-5-4-6-9(2,3)8(7)10/h4-6H,1-3H; 2,6,6-trimethyl-1-cyclohexa-2,4-dienone; 13487-30-4","Ingredient_formula": "C9H12O","Ingredient_Smile": "CC1=CC=CC(C1=O)(C)C","Ingredient_weight": "136.19","OB_score": "75.49009988","CAS_id": "13487-30-4","SymMap_id": "SMIT07436","TCMID_id": "NA","TCMSP_id": "MOL005713","TCM_ID_id": "NA","PubChem_id": "83528","DrugBank_id": "NA"}
2-c-methyl-d-erythritol
{"Ingredient_id": "HBIN005463","Ingredient_name": "2-c-methyl-d-erythritol","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "CC(CO)(C(CO)O)O","Ingredient_weight": "136.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14412","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113829","DrugBank_id": "NA"}
2-deoxy-d-ribitol1
{"Ingredient_id": "HBIN005526","Ingredient_name": "2-deoxy-d-ribitol1","Alias": "NA","Ingredient_formula": "C5H12O4","Ingredient_Smile": "C(CO)C(C(CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15004","TCMID_id": "5207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
β- alcohol resin
{"Ingredient_id": "HBIN017958","Ingredient_name": "\u03b2- alcohol resin","Alias": "NA","Ingredient_formula": "C9H12O","Ingredient_Smile": "CC(CO)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
