Exact Mass: 116.0657

Exact Mass Matches: 116.0657

Found 76 metabolites which its exact mass value is equals to given mass value 116.0657, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

N-NITROSOMORPHOLINE

alpha-Acetoxy-N-nitrosomorpholine

C4H8N2O2 (116.0586)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3454 CONFIDENCE standard compound; INTERNAL_ID 4127 CONFIDENCE standard compound; INTERNAL_ID 8689 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

N,N'-Diacetylhydrazine

N-Acetylacetohydrazide

C4H8N2O2 (116.0586)


N,N-Diacetylhydrazine is a metabolite of isoniazid. Isoniazid (Laniazid, Nydrazid), also known as isonicotinylhydrazine (INH), is an organic compound that is the first-line medication in prevention and treatment of tuberculosis. (Wikipedia)

   

3-(Methylnitrosoamino)-propanal

3-(N-Nitrosomethylamino)propionaldehyde

C4H8N2O2 (116.0586)


   

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.

   

N-Nitroso-3-hydroxypyrrolidine

3-Hydroxy-1-nitrosopyrrolidine

C4H8N2O2 (116.0586)


N-Nitroso-3-hydroxypyrrolidine is a metabolite of piperazine. Piperazine is an organic compound that consists of a six-membered ring containing two opposing nitrogen atoms. Piperazine exists as small alkaline deliquescent crystals with a saline taste. The piperazines are a broad class of chemical compounds, many with important pharmacological properties, which contain a core piperazine functional group. (Wikipedia)

   

2,3-Dinitrosobutanbildung

2,3-Dinitrosobutanbildung

C4H8N2O2 (116.0586)


   

3-Amino-1-hydroxypyrrolidin-2-one

2-Pyrrolidinone, 3-amino-1-hydroxy-, hydrochloride (1:1)

C4H8N2O2 (116.0586)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists

   

Biacetyl dioxime

N-[3-(hydroxyimino)butan-2-ylidene]hydroxylamine

C4H8N2O2 (116.0586)


   

Doxyl

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

C5H10NO2 (116.0712)


   

Indene

Indonaphthene

C9H8 (116.0626)


   

3-Amino-4-oxobutanamide

3-Amino-4-oxobutanimidate

C4H8N2O2 (116.0586)


   

Succinamide

Butanediamide

C4H8N2O2 (116.0586)


   

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.

   

Butanediamide

Succinic acid diamide

C4H8N2O2 (116.0586)


   

INDENE

INDENE

C9H8 (116.0626)


   

N,N-Dimethyloxamide

N,N-Dimethyloxamide

C4H8N2O2 (116.0586)


   

Dimethylglyoxime

Dimethylglyoxime

C4H8N2O2 (116.0586)


   

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-methylpropanediamide

2-methylpropanediamide

C4H8N2O2 (116.0586)


   

2-Fluorocyclohexanone

2-Fluorocyclohexanone

C6H9FO (116.0637)


   

dimethylvinylmethoxysilane

dimethylvinylmethoxysilane

C5H12OSi (116.0657)


   

NN-Dimethyloxamide

NN-Dimethyloxamide

C4H8N2O2 (116.0586)


   

Cyclohexanethiol

Cyclohexanethiol

C6H12S (116.066)


   

(S)-(-)-HA-966

(S)-(-)-HA-966

C4H8N2O2 (116.0586)


   

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)


   

Acetamide,N-[(methylamino)carbonyl]-

Acetamide,N-[(methylamino)carbonyl]-

C4H8N2O2 (116.0586)


   

Trimethyl(vinyloxy)silane

Trimethyl(vinyloxy)silane

C5H12OSi (116.0657)


   

Tetrahydrofuran-3-boronic acid

Tetrahydrofuran-3-boronic acid

C4H9BO3 (116.0645)


   

Urea, (2-oxopropyl)- (9CI)

Urea, (2-oxopropyl)- (9CI)

C4H8N2O2 (116.0586)


   

4-Fluorocyclohexanone

4-Fluorocyclohexanone

C6H9FO (116.0637)


   

N2-Acetylglycinamide

N2-Acetylglycinamide

C4H8N2O2 (116.0586)


   

1-(Dimethylamino)-2-nitroethene

1-(Dimethylamino)-2-nitroethene

C4H8N2O2 (116.0586)


   

4-Ethynyltoluene

4-Ethynyltoluene

C9H8 (116.0626)


   

dl-proline-2-d1

dl-proline-2-d1

C5H8DNO2 (116.0696)


   

HYL 2-AMINO-2-IMINOACETATE

HYL 2-AMINO-2-IMINOACETATE

C4H8N2O2 (116.0586)


   

phenylpropyne

phenylpropyne

C9H8 (116.0626)


   

3-Methylphenylacetylene

3-Methylphenylacetylene

C9H8 (116.0626)


   

Oxirane,2-(trimethylsilyl)-

Oxirane,2-(trimethylsilyl)-

C5H12OSi (116.0657)


   

(R)-(+)-HA-966

(R)-(+)-HA-966

C4H8N2O2 (116.0586)


(R)-(+)-HA-966 ((+)-HA-966) is a partial agonist/antagonist of glycine site of the N-methyl-D-aspartate (NMDA) receptor complex. (R)-(+)-HA-966 selectively blocks the activation of the mesolimbic dopamine system by amphetamine[1][2]. (R)-(+)-HA-966 can cross the blood-brain barrier and has the potential for neuropathic and acute pain[3].

   

N-(2-formamidoethyl)formamide

N-(2-formamidoethyl)formamide

C4H8N2O2 (116.0586)


   

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.

   

Formiminoalanine

Formiminoalanine

C4H8N2O2 (116.0586)


   

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.

   

N-NITROSOMORPHOLINE

N-NITROSOMORPHOLINE

C4H8N2O2 (116.0586)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

3-methylnitrosaminopropionaldehyde

3-(N-Nitrosomethylamino)propionaldehyde

C4H8N2O2 (116.0586)


   

Diacetylhydrazine

N-Acetylacetohydrazide

C4H8N2O2 (116.0586)


   

N-Nitroso-3-hydroxypyrrolidine

N-Nitroso-3-hydroxypyrrolidine

C4H8N2O2 (116.0586)


   
   

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)