Exact Mass: 120.095

Exact Mass Matches: 120.095

Found 42 metabolites which its exact mass value is equals to given mass value 120.095, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

betaine aldehyde hydrate

Glycine betaine aldehyde hydric acid

C5H14NO2+ (120.1024)


Betaine aldehyde hydrate, also known as glycine betaine aldehyde hydric acid, is a member of the class of compounds known as cholines. Cholines are organic compounds containing a N,N,N-trimethylethanolammonium cation. Betaine aldehyde hydrate is soluble (in water) and a very weakly acidic compound (based on its pKa). Betaine aldehyde hydrate can be found in a number of food items such as wax apple, winter squash, cabbage, and common oregano, which makes betaine aldehyde hydrate a potential biomarker for the consumption of these food products.

   

Isopropylbenzene

Benzene, (1-methylethyl)-, oxidized, sulfurized by-products

C9H12 (120.0939)


Isopropylbenzene, also known as 2-phenylpropane or benzene, isopropyl, belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. Isopropylbenzene is found, on average, in the highest concentration within ceylon cinnamons and gingers. Isopropylbenzene has also been detected, but not quantified, in several different foods, such as celery stalks, cumins , herbs and spices, and sweet cherries. Isopropylbenzene is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Isopropylbenzene is a component of petroleum destillates. Petroleum distillate poisoning may cause nausea, vomiting, cough, pulmonary irritation progressing to pulmonary edema, bloody sputum, and bronchial pneumonia. Petroleum distillates are also irritating to the skin. Petroleum distillates are aspiration hazards and may cause pulmonary damage, central nervous system depression, and cardiac effects such as cardiac arrhythmias. They may also affect the blood, immune system, liver, and kidney. At high amounts, central nervous system depression may also occur, with symptoms such as weakness, dizziness, slow and shallow respiration, unconsciousness, and convulsions. Gastric lavage, emesis, and the administration of activated charcoal should be avoided, as vomiting increases the risk of aspiration. Treatment is mainly symptomatic and supportive. Volatile hydrocarbons are absorbed mainly through the lungs, and may also enter the body after ingestion via aspiration. Trace constituent of ginger oil (Zingiber officinale)

   

Mesitylene

1,3,5-Trimethylbenzene (mesitylene)

C9H12 (120.0939)


Mesitylene or 1,3,5-trimethylbenzene is a derivative of benzene with three methyl substituents symmetrically placed on the ring. Isomeric trimethylbenzenes include hemimellitene (1,2,3-trimethylbenzene) and pseudocumene (1,2,4-trimethylbenzene). All three compounds have the formula C6H3(CH3)3, which is commonly abbreviated C6H3Me3. Mesitylene is a colourless liquid with sweet aromatic odor. It is a component of coal tar, which is its traditional source. It is a precursor to diverse fine chemicals. The mesityl group (Mes) is a substituent with the formula C6H3Me3.

   

m-Ethyl_toluene

1-ethyl-3-methylbenzene

C9H12 (120.0939)


m-Ethyl_toluene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

   

1,2,4-Trimethylbenzene

1,2,4-Trimethylbenzene (pseudocumene)

C9H12 (120.0939)


1,2,4-trimethylbenzene, also known as pseudocumene or psi-cumene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2,4-trimethylbenzene is a plastic tasting compound found in black walnut and corn, which makes 1,2,4-trimethylbenzene a potential biomarker for the consumption of these food products. 1,2,4-trimethylbenzene can be found primarily in urine. 1,2,4-trimethylbenzene exists in all eukaryotes, ranging from yeast to humans. 1,2,4-trimethylbenzene is a non-carcinogenic (not listed by IARC) potentially toxic compound. 1,2,4-Trimethylbenzene is a colorless liquid with chemical formula C9H12. It is a flammable aromatic hydrocarbon with a strong odor. It occurs naturally in coal tar and petroleum (about 3\\%). It is nearly insoluble in water, but well-soluble in ethanol, diethyl ether, and benzene.

   

o-Ethyltoluene

1-Ethyl-2-methylbenzene

C9H12 (120.0939)


o-Ethyltoluene belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. o-Ethyltoluene is possibly neutral. These are compounds containing a benzene ring which bears a methane group.

   

Hemimellitene

1,2,3-TRIMETHYLBENZENE

C9H12 (120.0939)


Hemimellitene, also known as hemellitol or 123-trimethylbenzene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Hemimellitene can be found in black walnut and corn, which makes hemimellitene a potential biomarker for the consumption of these food products. Hemimellitene can be found primarily in feces and saliva. Hemimellitene exists in all eukaryotes, ranging from yeast to humans. Hemimellitene is an organic compound with the chemical formula C6H3(CH3)3. Classified as an aromatic hydrocarbon, it is a flammable colorless liquid. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum. It is one of the three isomers of trimethylbenzene. It is used in jet fuel, mixed with other hydrocarbons, to prevent the formation of solid particles which might damage the engine . Hemimellitene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

   

1,2,4-Tris(methylene)cyclohexane

1,2,4-Trimethyl-(1alpha,2beta,4beta)-cyclohexane

C9H12 (120.0939)


1,2,4-Tris(methylene)cyclohexane is found in fruits. 1,2,4-Tris(methylene)cyclohexane is a minor component of blackcurrant (Ribes nigrum) dormant buds. Minor component of blackcurrant (Ribes nigrum) dormant buds. 1,2,4-Tris(methylene)cyclohexane is found in fruits.

   

Propylbenzene

N-Propylbenzene ion (1+)

C9H12 (120.0939)


Propylbenzene belongs to the family of Substituted Benzenes. These are aromatic compounds containing a benzene substituted at one or more positions.

   

3,5-Nonadiyne

3,5-Nonadiyne

C9H12 (120.0939)


   

1,2,3-TRIMETHYLBENZENE

1,2,3-Trimethyl benzene

C9H12 (120.0939)


A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.

   

4-Ethyltoluene

4-Ethyltoluene

C9H12 (120.0939)


   

6-Vinyl-1,4-cycloheptadiene

6-Vinyl-1,4-cycloheptadiene

C9H12 (120.0939)


   

7-methylcycloocta-1,3,5-triene

7-methylcycloocta-1,3,5-triene

C9H12 (120.0939)


   

Tripropylphosphine

1,2,4-Trimethyl-(1alpha,2beta,4beta)-cyclohexane

C9H12 (120.0939)


   

5-ethylidene-2-norbornene

5-ethylidene-2-norbornene

C9H12 (120.0939)


   

6-FLUORO-1-HEXANOL

6-FLUORO-1-HEXANOL

C6H13FO (120.095)


   

3a,4,7,7a-tetrahydro-1H-indene

3a,4,7,7a-tetrahydro-1H-indene

C9H12 (120.0939)


   

Methylstyrene

Methylstyrene

C9H12 (120.0939)


   

Ethanol,2,2-(1,2-hydrazinediyl)bis-

Ethanol,2,2-(1,2-hydrazinediyl)bis-

C4H12N2O2 (120.0899)


   

Bicyclo[2.2.1]hept-2-ene,5-ethenyl-

Bicyclo[2.2.1]hept-2-ene,5-ethenyl-

C9H12 (120.0939)


   

4,5,6,7-tetrahydro-1H-indene

4,5,6,7-tetrahydro-1H-indene

C9H12 (120.0939)


   

2,3,4,7-tetrahydro-1H-indene

2,3,4,7-tetrahydro-1H-indene

C9H12 (120.0939)


   

1,8-NONADIYNE

1,8-NONADIYNE

C9H12 (120.0939)


   

Fleet-X

1,3,5-Trimethylbenzene [UN2325] [Flammable liquid]

C9H12 (120.0939)


   

620-14-4

InChI=1\C9H12\c1-3-9-6-4-5-8(2)7-9\h4-7H,3H2,1-2H

C9H12 (120.0939)


   

AI3-28772

InChI=1\C9H12\c1-3-9-6-4-8(2)5-7-9\h4-7H,3H2,1-2H

C9H12 (120.0939)


   

Isocumene

InChI=1\C9H12\c1-2-6-9-7-4-3-5-8-9\h3-5,7-8H,2,6H2,1H

C9H12 (120.0939)


   

Pseudocumol

InChI=1\C9H12\c1-7-4-5-8(2)9(3)6-7\h4-6H,1-3H

C9H12 (120.0939)


   

NaPst

Benzene, (1-methylethyl)-, oxidized, sulfurized by-products

C9H12 (120.0939)


   

Betaine aldehyde hydrate

Betaine aldehyde hydrate

C5H14NO2+ (120.1024)


   

1,3,5-Trimethylbenzene

1,3,5-Trimethylbenzene

C9H12 (120.0939)


   

Propylbenzene

n-propylbenzene

C9H12 (120.0939)


   

Isopropylbenzene

Isopropylbenzene

C9H12 (120.0939)


   

Pseudocumene

1,2,4-TRIMETHYL BENZENE

C9H12 (120.0939)


   

3-Ethyltoluene

1-Methyl-3-ethylbenzene

C9H12 (120.0939)


   

2-Ethyltoluene

1-Ethyl-2-methylbenzene

C9H12 (120.0939)


   

Hemimellitene

1,2,3-TRIMETHYLBENZENE

C9H12 (120.0939)


   

Ethylmethylbenzene

Ethylmethylbenzene

C9H12 (120.0939)


   

6-ethenylcyclohepta-1,4-diene

6-ethenylcyclohepta-1,4-diene

C9H12 (120.0939)


   

(1z,3z,5z,7s)-7-methylcycloocta-1,3,5-triene

(1z,3z,5z,7s)-7-methylcycloocta-1,3,5-triene

C9H12 (120.0939)


   

(6r)-6-ethenylcyclohepta-1,4-diene

(6r)-6-ethenylcyclohepta-1,4-diene

C9H12 (120.0939)