Metabolite List

metabolites which its exact mass nearly 136.1 with tolerance error 0.01 da.

N,N-Dimethyl-1,4-phenylenediamine (BioCAD00000014831)
Formula: C8H12N2 (Exact Mass: 136.1)

Dimethyl-p-phenylenediamine is a colorless to reddish-violet solid. Used in the production of methylene blue and photographic developer. Used as a chemical intermediate for dyes and diazonium chloride salts and as an analytical reagent to detect chloroamine in water. (EPA, 1998) N,N-dimethyl-1,4-phenylenediamine is a substituted aniline and a diamine.

blood
Phenelzine (BioCAD00000016122)
Formula: C8H12N2 (Exact Mass: 136.1)

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.

blood urine plant natural products
Betahistine (BioCAD00000026446)
Formula: C8H12N2 (Exact Mass: 136.1)

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 Meniere's 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.

blood urine
5-Ethyl-2,3-dimethylpyrazine (BioCAD00000027372)
Formula: C8H12N2 (Exact Mass: 136.1)

5-Ethyl-2,3-dimethylpyrazine is found in herbs and spices. 5-Ethyl-2,3-dimethylpyrazine is a constituent of Galbanum oil

microbial natural products plant natural products
2-Ethyl-3,(5 or 6)-dimethylpyrazine (BioCAD00000029473)
Formula: C8H12N2 (Exact Mass: 136.1)

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.

microbial natural products plant natural products
Tetramethylpyrazine (BioCAD00000033011)
Formula: C8H12N2 (Exact Mass: 136.1)

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).

microbial natural products plant natural products
2,5-Diethylpyrazine (BioCAD00000033197)
Formula: C8H12N2 (Exact Mass: 136.1)

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.

2,6-Diethylpyrazine (BioCAD00000033198)
Formula: C8H12N2 (Exact Mass: 136.1)

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.

2-Isopropyl-5-methylpyrazine (BioCAD00000033502)
Formula: C8H12N2 (Exact Mass: 136.1)

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).

2-Methyl-5-propylpyrazine (BioCAD00000036148)
Formula: C8H12N2 (Exact Mass: 136.1)

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-Ethyl-3,5-dimethylpyrazine (BioCAD00000036431)
Formula: C8H12N2 (Exact Mass: 136.1)

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.

plant natural products
2-Methyl-3-propylpyrazine (BioCAD00000037332)
Formula: C8H12N2 (Exact Mass: 136.1)

2-Methyl-3-propylpyrazine is a flavour component of cooked foods.

plant natural products
2,3-Diethylpyrazine (BioCAD00000037333)
Formula: C8H12N2 (Exact Mass: 136.1)

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.

plant natural products
N1,N1-Dimethylbenzene-1,2-diamine (BioCAD00000183315)
Formula: C8H12N2 (Exact Mass: 136.1)

1,3-Benzenedimethanamine (BioCAD00000232441)
Formula: C8H12N2 (Exact Mass: 136.1)

M-xylene-alpha,alpha'-diamine is a colorless liquid with an amine smell. Mp: 14.1 °C; bp: 273 °C. Water soluble.

Diethylpyrazine (BioCAD00000384945)
Formula: C8H12N2 (Exact Mass: 136.1)

2,5-dimethyl-p-phenylenediamine (BioCAD00000483951)
Formula: C8H12N2 (Exact Mass: 136.1)

A primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine." []

mebanazine (BioCAD00000566044)
Formula: C8H12N2 (Exact Mass: 136.1)

Mebanazine is a member of benzenes. Mebanazine, also known as Actomol, is a monoamine oxidase inhibitor (MAOI) belonging to the hydrazine class of chemicals. It was used in the past as an antidepressant in the 1960s, but has since been discontinued because of its hepatotoxic potential.

2,3-Dimethylbenzene-1,4-diamine (BioCAD00000661937)
Formula: C8H12N2 (Exact Mass: 136.1)

Xylenediamine (BioCAD00000668239)
Formula: C8H12N2 (Exact Mass: 136.1)