Exact Mass: 116.0696

Exact Mass Matches: 116.0696

Found 51 metabolites which its exact mass value is equals to given mass value 116.0696, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-Methyl-1-methylthio-2-butene

(2E)-2-Methyl-1-(methylsulphanyl)but-2-ene

C6H12S (116.066)


2-Methyl-1-methylthio-2-butene 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 .

   

1-Propenyl propyl sulfide

(1E)-1-(Propylsulphanyl)prop-1-ene

C6H12S (116.066)


1-Propenyl propyl sulfide is found in onion-family vegetables. 1-Propenyl propyl sulfide is a volatile constituent of Welsh onion, scallions, leek, garlic and shallots. Usually present as a mixture of (E)- and (Z)-isomers. Volatile constituent of Welsh onion, scallions, leek, garlic and shallots. Usually present as a mixture of (E)- and (Z)-isomers. 1-Propenyl propyl sulfide is found in onion-family vegetables.

   

Doxyl

(4,4-dimethyl-1,3-oxazolidin-3-yl)oxidanyl

C5H10NO2 (116.0712)


   

Indene

Indonaphthene

C9H8 (116.0626)


   

2,5-Dimethyltetrahydrothiophene

2,5-Dimethyltetrahydrothiophene

C6H12S (116.066)


2,5-dimethyltetrahydrothiophene is a member of the class of compounds known as thiolanes. Thiolanes are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. 2,5-dimethyltetrahydrothiophene can be found in soft-necked garlic, which makes 2,5-dimethyltetrahydrothiophene a potential biomarker for the consumption of this food product.

   

Allylpropyl sulfide

3-(propylsulfanyl)prop-1-ene

C6H12S (116.066)


Allylpropyl sulfide is a member of the class of compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. Allylpropyl sulfide is a garlic, green, and onion tasting compound found in garden onion, which makes allylpropyl sulfide a potential biomarker for the consumption of this food product.

   

N,N-dimethyl-beta-alanine

(2-carboxylatoethyl)dimethylazaniumyl

C5H10NO2 (116.0712)


N,n-dimethyl-beta-alanine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dimethyl-beta-alanine can be found in a number of food items such as shiitake, sparkleberry, swede, and almond, which makes n,n-dimethyl-beta-alanine a potential biomarker for the consumption of these food products.

   

INDENE

INDENE

C9H8 (116.0626)


   

Allyl isopropyl sulfide

Allyl isopropyl sulfide

C6H12S (116.066)


   

2-propylthietane

2-propylthietane

C6H12S (116.066)


   

delta3-Isopentenyl methyl sulfide

delta3-Isopentenyl methyl sulfide

C6H12S (116.066)


   

2-Methyl-1-methylthio-2-butene

(2E)-2-methyl-1-(methylsulfanyl)but-2-ene

C6H12S (116.066)


   

Allylpropylsulfide

(1E)-1-(propylsulfanyl)prop-1-ene

C6H12S (116.066)


   

2-Fluorocyclohexanone

2-Fluorocyclohexanone

C6H9FO (116.0637)


   

dimethylvinylmethoxysilane

dimethylvinylmethoxysilane

C5H12OSi (116.0657)


   

dimethylaluminum i-propoxide

dimethylaluminum i-propoxide

C5H13AlO (116.0782)


   

Creatinine-D3

Creatinine-D3

C4H4D3N3O (116.0777)


   

Cyclohexanethiol

Cyclohexanethiol

C6H12S (116.066)


   

Cyclohexylphosphine

Cyclohexylphosphine

C6H13P (116.0755)


   

1,2,3,5-tetradeuterio-4,6-dideuteriooxybenzene

1,2,3,5-tetradeuterio-4,6-dideuteriooxybenzene

C6D6O2 (116.0744)


   

tolylacetylene

tolylacetylene

C9H8 (116.0626)


   

1,2,4,5-tetradeuterio-3,6-dideuteriooxybenzene

1,2,4,5-tetradeuterio-3,6-dideuteriooxybenzene

C6D6O2 (116.0744)


   

Trimethyl(vinyloxy)silane

Trimethyl(vinyloxy)silane

C5H12OSi (116.0657)


   

Tetrahydrofuran-3-boronic acid

Tetrahydrofuran-3-boronic acid

C4H9BO3 (116.0645)


   

4-Fluorocyclohexanone

4-Fluorocyclohexanone

C6H9FO (116.0637)


   

4-Ethynyltoluene

4-Ethynyltoluene

C9H8 (116.0626)


   

dl-proline-2-d1

dl-proline-2-d1

C5H8DNO2 (116.0696)


   

phenylpropyne

phenylpropyne

C9H8 (116.0626)


   

3-Methylphenylacetylene

3-Methylphenylacetylene

C9H8 (116.0626)


   

Oxirane,2-(trimethylsilyl)-

Oxirane,2-(trimethylsilyl)-

C5H12OSi (116.0657)


   

1,2-(2H4)Benzene(2H2)diol

1,2-(2H4)Benzene(2H2)diol

C6D6O2 (116.0744)


   

acetyl(trimethyl)silane

acetyl(trimethyl)silane

C5H12OSi (116.0657)


   

Cyclopentyl-1-thiaethane

Cyclopentyl-1-thiaethane

C6H12S (116.066)


   

2H-indene

2H-indene

C9H8 (116.0626)


   

4H-indene

4H-indene

C9H8 (116.0626)


   

Inden

InChI=1\C9H8\c1-2-5-9-7-3-6-8(9)4-1\h1-6H,7H

C9H8 (116.0626)


   

N,N-dimethyl-beta-alanine

(2-carboxylatoethyl)dimethylazaniumyl

C5H10NO2 (116.0712)


N,n-dimethyl-beta-alanine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dimethyl-beta-alanine can be found in a number of food items such as shiitake, sparkleberry, swede, and almond, which makes n,n-dimethyl-beta-alanine a potential biomarker for the consumption of these food products. N,n-dimethyl-β-alanine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). N,n-dimethyl-β-alanine can be found in a number of food items such as shiitake, sparkleberry, swede, and almond, which makes n,n-dimethyl-β-alanine a potential biomarker for the consumption of these food products.

   

CID 157010251

CID 157010251

C5H10NO2 (116.0712)


   

L-valinate

L-valinate

C5H10NO2- (116.0712)


The L-enantiomer of valinate.

   
   

L-prolinium

L-prolinium

C5H10NO2+ (116.0712)


An optically active form of prolinium having L-configuration.

   

5H-indene

5H-indene

C9H8 (116.0626)


   

Prolinium

Prolinium

C5H10NO2+ (116.0712)


An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group.

   

delta-Aminovalerate

delta-Aminovalerate

C5H10NO2- (116.0712)


   

4-(Methylamino)butyrate

4-(Methylamino)butyrate

C5H10NO2- (116.0712)


An aza fatty acid anion and the conjugate base of 4-(methylamino)butyric acid.

   

D-prolinium

D-prolinium

C5H10NO2+ (116.0712)


An optically active form of prolinium having D-configuration.

   

D-valinate

D-valinate

C5H10NO2- (116.0712)


The D-enantiomer of valinate.

   
   

5-Aminopentanoate

5-Aminopentanoate

C5H10NO2 (116.0712)


An amino fatty acid anion that is the conjugate base of 5-aminopentanoic acid.

   

Propenyl propyl sulfide

Propenyl propyl sulfide

C6H12S (116.066)


   

1-(ethylsulfanyl)but-2-ene

1-(ethylsulfanyl)but-2-ene

C6H12S (116.066)