Exact Mass: 106.045004

Exact Mass Matches: 106.045004

Found 67 metabolites which its exact mass value is equals to given mass value 106.045004, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Benzaldehyde

benzaldehyde

C7H6O (106.0418626)


Benzaldehyde is occasionally found as a volatile component of urine. Benzaldehyde is an aromatic aldehyde used in cosmetics as a denaturant, a flavoring agent, and as a fragrance. Currently used in only seven cosmetic products, its highest reported concentration of use was 0.5\\\% in perfumes. Benzaldehyde is a generally regarded as safe (GRAS) food additive in the United States and is accepted as a flavoring substance in the European Union. Because Benzaldehyde rapidly metabolizes to Benzoic Acid in the skin, the available dermal irritation and sensitization data demonstrating no adverse reactions to Benzoic Acid were considered supportive of the safety of Benzaldehyde. Benzaldehyde is absorbed through skin and by the lungs, distributes to all well-perfused organs, but does not accumulate in any specific tissue type. After being metabolized to benzoic acid, conjugates are formed with glycine or glucuronic acid, and excreted in the urine. Several studies have suggested that Benzaldehyde can have carcinostatic or antitumor properties. Overall, at the concentrations used in cosmetics, Benzaldehyde was not considered a carcinogenic risk to humans. Although there are limited irritation and sensitization data available for Benzaldehyde, the available dermal irritation and sensitization data and ultraviolet (UV) absorption and phototoxicity data demonstrating no adverse reactions to Benzoic Acid support the safety of Benzaldehyde as currently used in cosmetic products. (PMID:16835129, Int J Toxicol. 2006;25 Suppl 1:11-27.). Benzaldehyde, a volatile organic compound, is naturally present in a variety of plants, particularly in certain fruits, nuts, and flowers. It plays a significant role in the aromatic profiles of these plants. For instance, benzaldehyde is a primary component of bitter almond oil, which was one of its earliest known natural sources. Besides bitter almonds, it is also found in fruits like cherries, peaches, and plums, as well as in flowers such as jasmine. In the food industry, benzaldehyde is occasionally used as a food additive to impart specific flavors. This prevalence in plants highlights that benzaldehyde is not only an industrial chemical but also a naturally occurring compound in the plant kingdom. Its presence in these natural sources underscores its significance in both nature and industry. Found in plants, especies in almond kernelsand is) also present in strawberry jam, leek, crispbread, cheese, black tea and several essential oils. Parent and derivs. (e.g. glyceryl acetal) are used as flavourings

   

3-(Methylthio)-1-propanol

laquo gammaraquo -Methylmercaptopropyl alcohol

C4H10OS (106.045233)


3-(Methylthio)-1-propanol, also known as methionol or 3-(methylsulfanyl)-1-propanol, belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. An alkyl sulfide that is propan-1-ol substituted by a methylsulfanyl group at position 3. 3-(Methylthio)-1-propanol is a sweet, onion, and potato tasting compound. 3-(Methylthio)-1-propanol has been detected, but not quantified, in several different foods, such as beans, lemon grass, mollusks, limes, and orange bell peppers. This could make 3-(methylthio)-1-propanol a potential biomarker for the consumption of these foods. Widely distributed aroma constituent of foods and beverages e.g. wines, beers, stored apples, melon, pineapple, cheddar cheese, asparagus, tomato, shoyu, ham, roasted coffee, cooked clams, cooked shrimps, soy sauce etc. 3-(Methylthio)-1-propanol is found in many foods, some of which are common persimmon, shallot, oval-leaf huckleberry, and root vegetables.

   

3-Mercapto-2-butanol

3-mercapto-2-Butanol, mixture OF isomers

C4H10OS (106.045233)


3-Mercapto-2-butanol is a flavouring ingredient. Flavouring ingredient

   

4-Mercapto-2-butanol

4-Sulphanylbutan-2-ol

C4H10OS (106.045233)


Naturally occurring flavour volatile. Naturally occurring flavour volatile

   

2-Methyleneglutaronitrile

2-methylidenepentanedinitrile

C6H6N2 (106.05309559999999)


   

Vinylpyrazine

2-ethenylpyrazine

C6H6N2 (106.05309559999999)


Vinylpyrazine is a member of the class of 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. Vinylpyrazine is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Vinylpyrazine is a nutty tasting compound found in kohlrabi, which makes vinylpyrazine a potential biomarker for the consumption of this food product.

   
   

4-fluorobutanoic Acid

4-fluorobutanoic Acid

C4H7FO2 (106.0430054)


   

Tropone

InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6

C7H6O (106.0418626)


Tropone is a natural product found in Medicago sativa with data available. Tropone is a building block in the chemical synthesis[1]. Tropone is a building block in the chemical synthesis[1].

   

benzaldehyde

benzaldehyde-carbonyl-13c

C7H6O (106.0418626)


An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes.

   

«

3-(Methylsulfanyl)propanol (methionol)

C4H10OS (106.045233)


   

FEMA 3502

3-mercapto-2-Butanol, mixture OF isomers

C4H10OS (106.045233)


   

3-Hydroxybutanethiol

4-Mercapto-2-butanol

C4H10OS (106.045233)


   

2-Methyl-1H-pyrrole-3-carbonitrile

2-Methyl-1H-pyrrole-3-carbonitrile

C6H6N2 (106.05309559999999)


   

5-ETHYNYL-1-METHYL-1H-IMIDAZOLE

5-ETHYNYL-1-METHYL-1H-IMIDAZOLE

C6H6N2 (106.05309559999999)


   

(S)-(+)-10-METHYL-1(9)-OCTAL-2-ONE

(S)-(+)-10-METHYL-1(9)-OCTAL-2-ONE

C5H11Cl (106.0549236)


   

Cis-Cyclobutane-1,2-dicarbonitrile

Cis-Cyclobutane-1,2-dicarbonitrile

C6H6N2 (106.05309559999999)


   

Pyrimidine, 5-ethenyl- (9CI)

Pyrimidine, 5-ethenyl- (9CI)

C6H6N2 (106.05309559999999)


   

methyl (2R)-2-fluoropropanoate

methyl (2R)-2-fluoropropanoate

C4H7FO2 (106.0430054)


   

Perfluoroisobutyric acid

Perfluoroisobutyric acid

C4H7FO2 (106.0430054)


   

1-chloro-2-methylbutane

1-chloro-2-methylbutane

C5H11Cl (106.0549236)


   

4-Ethynyl-1-methyl-1H-pyrazole

4-Ethynyl-1-methyl-1H-pyrazole

C6H6N2 (106.05309559999999)


   

methyldimethoxysilane

methyldimethoxysilane

C3H10O2Si (106.045004)


   

2-(4,4,5,5-2H4)Imidazolidinethione

2-(4,4,5,5-2H4)Imidazolidinethione

C3H2D4N2S (106.050276312)


   

deuterio(phenyl)methanone

deuterio(phenyl)methanone

C7H6O (106.0418626)


   

2-Chloro-2-Methylbutane

2-Chloro-2-Methylbutane

C5H11Cl (106.0549236)


   

5-Methyl-1H-pyrrole-2-carbonitrile

5-Methyl-1H-pyrrole-2-carbonitrile

C6H6N2 (106.05309559999999)


   

(3-Fluoro-3-oxetanyl)methanol

(3-Fluoro-3-oxetanyl)methanol

C4H7FO2 (106.0430054)


   

1-Chloropentane

1-Chloropentane

C5H11Cl (106.0549236)


   

Ethyl fluoroacetate

Ethyl fluoroacetate

C4H7FO2 (106.0430054)


   
   

1-Methylpyrrole-2-carbonitrile

1-Methylpyrrole-2-carbonitrile

C6H6N2 (106.05309559999999)


   

Diethyl sulfoxide

Diethyl sulfoxide

C4H10OS (106.045233)


   

trans-Cyclobutane-1,2-dicarbonitrile

trans-Cyclobutane-1,2-dicarbonitrile

C6H6N2 (106.05309559999999)


   

methyl 2-fluoropropanoate

methyl 2-fluoropropanoate

C4H7FO2 (106.0430054)


   
   

4-methyl-1H-pyrrole-3-carbonitrile

4-methyl-1H-pyrrole-3-carbonitrile

C6H6N2 (106.05309559999999)


   

Pentane, 2-chloro-

Pentane, 2-chloro-

C5H11Cl (106.0549236)


   

3-Mercapto-2-butanol

3-Mercapto-2-butanol

C4H10OS (106.045233)


   

Neopentyl Chloride

Neopentyl Chloride

C5H11Cl (106.0549236)


   

2-fluoroethyl acetate

2-fluoroethyl acetate

C4H7FO2 (106.0430054)


   

4-MERCAPTO-1-BUTANOL

4-MERCAPTO-1-BUTANOL

C4H10OS (106.045233)


   

2-(Ethylthio)ethanol

2-(Ethylsulfanyl)ethanol

C4H10OS (106.045233)


   

4-Fluorobutyric acid

4-Fluorobutyric acid

C4H7FO2 (106.0430054)


   
   

4-(PROP-2-YN-1-YLOXY)PYRIDINE

4-(PROP-2-YN-1-YLOXY)PYRIDINE

C6H6N2 (106.05309559999999)


   

tolualdehydes (mixed o/m/p)

Tolualdehydes (mixed o-, m-, p-)

C7H6O (106.0418626)


It is used as a food additive .

   

1-METHYL-2-ETHYNYL-IMIDAZOLE

1-METHYL-2-ETHYNYL-IMIDAZOLE

C6H6N2 (106.05309559999999)


   

cyclobutane-1,1-dicarbonitrile

cyclobutane-1,1-dicarbonitrile

C6H6N2 (106.05309559999999)


   

1-Chloro-3-methylbutane

1-Chloro-3-methylbutane

C5H11Cl (106.0549236)


   

3-chloropentane

3-chloropentane

C5H11Cl (106.0549236)


   
   

(1H-PYRROL-2-YL)-ACETONITRILE

(1H-PYRROL-2-YL)-ACETONITRILE

C6H6N2 (106.05309559999999)


   

Aminoethyl nitrate

Aminoethyl nitrate

C2H6N2O3 (106.03784060000001)


C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

   

1-Mercaptobutan-3-ol

1-Mercaptobutan-3-ol

C4H10OS (106.045233)


   

4-Methylene-2,5-cyclohexadiene-1-one

4-Methylene-2,5-cyclohexadiene-1-one

C7H6O (106.0418626)


   

1-Methoxycyclohexa-1,3-dien-5-yne

1-Methoxycyclohexa-1,3-dien-5-yne

C7H6O (106.0418626)


   

LS-27

InChI=1\C7H6O\c8-6-7-4-2-1-3-5-7\h1-6

C7H6O (106.0418626)


   

Methionol

InChI=1\C4H10OS\c1-6-4-2-3-5\h5H,2-4H2,1H

C4H10OS (106.045233)


   

Butanoylsulfenate

Butanoylsulfenate

C4H10OS (106.045233)


   

L-serinium

L-serinium

C3H8NO3+ (106.0504158)


A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group.

   

Serinium

Serinium

C3H8NO3+ (106.0504158)


An alpha-amino-acid cation that is the conjugate acid of serine.

   

o-Quinomethane

o-Quinomethane

C7H6O (106.0418626)


   

2-Methoxycyclohexa-1,3-dien-5-yne

2-Methoxycyclohexa-1,3-dien-5-yne

C7H6O (106.0418626)


   

D-serinium

D-serinium

C3H8NO3+ (106.0504158)


The D-enantiomer of serinium.

   

3-Methylthiopropanol

3-Methylthiopropanol

C4H10OS (106.045233)


An alkyl sulfide that is propan-1-ol substituted by a methylsulfanyl group at position 3. It is a volatile compound found in wines and produced during fermentation.

   

Methylthiopropanol

Methylthiopropanol

C4H10OS (106.045233)