Exact Mass: 118.043

Exact Mass Matches: 118.043

Found 94 metabolites which its exact mass value is equals to given mass value 118.043, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Methyl allophanate

Allophanic acid, methyl ester

C3H6N2O3 (118.0378)


   

Benzofuran

2,3-Benzofuran

C8H6O (118.0419)


Benzofuran, also known as coumaron or 1-oxaindene, belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzothiophene, an analog with a sulfur instead of the oxygen atom. Benzofuran is a drug. benzofuran has been detected, but not quantified, in several different foods, such as alcoholic beverages, coffee and coffee products, herbs and spices, root vegetables, and tea. This could make benzofuran a potential biomarker for the consumption of these foods. This colourless liquid is a component of coal tar. Benzofuran is the heterocyclic compound consisting of fused benzene and furan rings. Benzofuran is a potentially toxic compound. For example, psoralen is a benzofuran derivative that occurs in several plants. Isobenzofuran, the isomer with oxygen in the adjacent position. Benzofuran is a Maillard product. It is a heterocyclic compound consisting of fused benzene and furan rings. It is the parent of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. It is found in many foods, some of which are herbs and spices, tea, alcoholic beverages, and coffee and coffee products.

   

N-NITROSOSARCOSINE

N-NITROSOSARCOSINE

C3H6N2O3 (118.0378)


   

xi-2,3-Octadiene-5,7-diyn-1-ol

xi-2,3-Octadiene-5,7-diyn-1-ol

C8H6O (118.0419)


xi-2,3-Octadiene-5,7-diyn-1-ol is found in mushrooms. xi-2,3-Octadiene-5,7-diyn-1-ol is isolated from Lentinus edodes (shiitake). Isolated from Lentinus edodes (shiitake). xi-2,3-Octadiene-5,7-diyn-1-ol is found in mushrooms.

   

xi-2-Methyl-1,3-oxathiane

xi-2-Methyl-1,3-oxathiane

C5H10OS (118.0452)


xi-2-Methyl-1,3-oxathiane is found in onion-family vegetables. xi-2-Methyl-1,3-oxathiane is a constituent of the buds of Chinese chives (Allium tuberosum). Constituent of the buds of Chinese chives (Allium tuberosum). xi-2-Methyl-1,3-oxathiane is found in onion-family vegetables.

   

3,5,7-Octatriyn-1-ol

octa-3,5,7-triyn-1-ol

C8H6O (118.0419)


3,5,7-Octatriyn-1-ol is found in mushrooms. 3,5,7-Octatriyn-1-ol is isolated from Lentinus edodes (shiitake). Isolated from Lentinus edodes (shiitake). 3,5,7-Octatriyn-1-ol is found in mushrooms.

   

(S)-Methylbutanethioic acid

(2S)-2-methylbutanethioic S-acid

C5H10OS (118.0452)


(S)-Methylbutanethioic acid belongs to the class of organic compounds known as carbothioic S-acids. These are organic acids with the general formula RCS-OH (R=H, organic group).

   

1-(Methylthio)-2-butanone

1-(Methylsulphanyl)butan-2-one

C5H10OS (118.0452)


1-(Methylthio)-2-butanone is found in coffee and coffee products. 1-(Methylthio)-2-butanone is a constituent of coffee concentrate. 1-(Methylthio)-2-butanone is a flavouring agent. Constituent of coffee concentrate. Flavouring agent. 1-(Methylthio)-2-butanone is found in coffee and coffee products.

   

2,4,6-Octatriyn-1-ol

octa-2,4,6-triyn-1-ol

C8H6O (118.0419)


2,4,6-Octatriyn-1-ol is found in mushrooms. 2,4,6-Octatriyn-1-ol is a constituent of Kuehneromyces mutabilis (two-toned wood tuft) and Russula vesca (bare-toothed russule) Constituent of Kuehneromyces mutabilis (two-toned wood tuft) and Russula vesca (bare-toothed russule). 2,4,6-Octatriyn-1-ol is found in mushrooms.

   

S-Methyl butanethioate

Butyric acid, thio-, S-methyl ester

C5H10OS (118.0452)


S-Methyl butanethioate is a flavouring agent Flavouring agent

   

4-(Methylthio)-2-butanone

4-(methylthio)-2-Butanone, 8ci

C5H10OS (118.0452)


4-(Methylthio)-2-butanone is a flavouring ingredien Flavouring ingredient

   

4-Mercapto-2-pentanone

(p-Carboxyphenyl)(purin-6-ylthio)-mercury

C5H10OS (118.0452)


4-Mercapto-2-pentanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

S-Propyl thioacetate

Acetic acid, thio-, S-propyl ester

C5H10OS (118.0452)


S-Propyl thioacetate is a flavouring ingredient. Flavouring ingredient

   

3-Mercapto-2-pentanone

3-Sulphanylpentan-2-one

C5H10OS (118.0452)


3-Mercapto-2-pentanone is found in animal foods. 3-Mercapto-2-pentanone is a maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. 3-Mercapto-2-pentanone is a flavouring agent Maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. Flavouring agent. 3-Mercapto-2-pentanone is found in animal foods.

   

2-Mercapto-3-pentanone

3-Pentanone, 2-mercapto

C5H10OS (118.0452)


2-Mercapto-3-pentanone is found in animal foods. Aroma/flavour component of cooked meats. 2-Mercapto-3-pentanone is a maillard product from reaction of cysteine and ribos Aroma/flavour component of cooked meats. Maillard product from reaction of cysteine and ribose. 2-Mercapto-3-pentanone is found in animal foods.

   

Tetrahydro-2-methylthiophen-3-ol

tetrahydro-3-Hydroxy-2-methylthiophene

C5H10OS (118.0452)


Tetrahydro-2-methylthiophen-3-ol is found in alcoholic beverages. Tetrahydro-2-methylthiophen-3-ol is found in wine. Tetrahydro-2-methylthiophen-3-ol is a compound responsible for "off" taste in some wines. Found in wine. Compd. responsible for "off" taste in some wines

   

Tetrahydro-2-methyl-3-furanthiol

1,4-anhydro-2,5-Dideoxy-3-thio-pentitol

C5H10OS (118.0452)


Tetrahydro-2-methyl-3-furanthiol is a flavour enhancer for meat-like food Flavour enhancer for meat-like foods

   

4-(Methylthio)butanal

gamma-(methylmercapto)Butyraldehyde

C5H10OS (118.0452)


4-(Methylthio)butanal is a flavouring ingredient. Flavouring ingredient

   

3-(Methylthio)butanal

3-(Methylsulphanyl)butanal

C5H10OS (118.0452)


3-(Methylthio)butanal is a flavouring ingredient. Flavouring ingredient

   

3-(Methylthio)-2-butanone

3-(Methylsulphanyl)butan-2-one

C5H10OS (118.0452)


3-(Methylthio)-2-butanone 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

   

5-Mercapto-2-pentanone

5-Mercapto-2-pentanone

C5H10OS (118.0452)


   

Biurea

N-[(C-hydroxycarbonimidoyl)amino]carbamimidic acid

C2H6N4O2 (118.0491)


   

urea acetate

(C-Hydroxycarbonimidoyl)amino acetic acid

C3H6N2O3 (118.0378)


   

N-carbamoylglycine

2-[(C-hydroxycarbonimidoyl)amino]acetic acid

C3H6N2O3 (118.0378)


N-carbamoylglycine, also known as glycoluric acid or hydantoic acid, is a member of the class of compounds known as N-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. N-carbamoylglycine is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-carbamoylglycine can be found in a number of food items such as persimmon, summer savory, tarragon, and coriander, which makes N-carbamoylglycine a potential biomarker for the consumption of these food products.

   

diaminoglyoxime

diaminoglyoxime

C2H6N4O2 (118.0491)


   

s-Ethyl thiopropionate

s-Ethyl thiopropionate

C5H10OS (118.0452)


   

methylureidocarboxylic acid

methylureidocarboxylic acid

C3H6N2O3 (118.0378)


   

Dihydrazide-Oxalic acid

Dihydrazide-Oxalic acid

C2H6N4O2 (118.0491)


   

2-(Methylthio)isobutyraldehyde

2-(Methylthio)isobutyraldehyde

C5H10OS (118.0452)


   

2,4,6-Octatriyn-1-ol

octa-2,4,6-triyn-1-ol

C8H6O (118.0419)


   

Methyl thiobutyrate

Butyric acid, thio-, S-methyl ester

C5H10OS (118.0452)


   

FEMA 3375

4-(methylthio)-2-Butanone, 8ci

C5H10OS (118.0452)


   

4-Mercaptopentan-2-ol

(p-Carboxyphenyl)(purin-6-ylthio)-mercury

C5H10OS (118.0452)


   

Propyl thioacetate

Acetic acid, thio-, S-propyl ester

C5H10OS (118.0452)


   

UNII:QI84S5GN0K

3-Mercapto-2-pentanone

C5H10OS (118.0452)


   

2-Mercapto-3-pentanone

3-Pentanone, 2-mercapto

C5H10OS (118.0452)


   

2-methylthiolan-3-ol

tetrahydro-3-Hydroxy-2-methylthiophene

C5H10OS (118.0452)


   

2-methyloxolane-3-thiol

1,4-anhydro-2,5-Dideoxy-3-thio-pentitol

C5H10OS (118.0452)


   

FEMA 3207

1-(methylsulfanyl)butan-2-one

C5H10OS (118.0452)


   

FEMA 3414

gamma-(methylmercapto)Butyraldehyde

C5H10OS (118.0452)


   

3,5,7-Octatriyn-1-ol

octa-3,5,7-triyn-1-ol

C8H6O (118.0419)


   

2-Methyl-1,3-oxathiane

xi-2-Methyl-1,3-oxathiane

C5H10OS (118.0452)


   

octa-2,3-dien-5,7-diyn-1-ol

xi-2,3-Octadiene-5,7-diyn-1-ol

C8H6O (118.0419)


   

UNII:1B27G5W046

3-(methylsulfanyl)butanal

C5H10OS (118.0452)


   

3-Methylthio-2-butanone

3-(methylsulfanyl)butan-2-one

C5H10OS (118.0452)


   

FOH 8:6

2,3-Octadiene-5,7-diyn-1-ol

C8H6O (118.0419)


   

Ethanedihydrazide

Ethanedihydrazide

C2H6N4O2 (118.0491)


   

N-Methyl-2-Nitro-Acetamide

N-Methyl-2-Nitro-Acetamide

C3H6N2O3 (118.0378)


   

2-Propanone,1-(ethylthio)-

2-Propanone,1-(ethylthio)-

C5H10OS (118.0452)


   

trimethylthioacetic S-acid

trimethylthioacetic S-acid

C5H10OS (118.0452)


   

METHYL 3-FLUOROBUT-2-ENOATE

METHYL 3-FLUOROBUT-2-ENOATE

C5H7FO2 (118.043)


   

(N,N-DIETHYL-3-AMINOPROPYL)TRIMETHOXYSILANE

(N,N-DIETHYL-3-AMINOPROPYL)TRIMETHOXYSILANE

C3H6N2O3 (118.0378)


   

3-Fluorotetrahydro-4H-pyran-4-one

3-Fluorotetrahydro-4H-pyran-4-one

C5H7FO2 (118.043)


   

2H-Thiopyran-3-ol,tetrahydro-

2H-Thiopyran-3-ol,tetrahydro-

C5H10OS (118.0452)


   

1-Methyl-2-nitroguanidine

1-Methyl-2-nitroguanidine

C2H6N4O2 (118.0491)


   

2H-Pyran-3-thiol,tetrahydro-(9CI)

2H-Pyran-3-thiol,tetrahydro-(9CI)

C5H10OS (118.0452)


   

3-Fluorocyclobutanecarboxylic acid

3-Fluorocyclobutanecarboxylic acid

C5H7FO2 (118.043)


   

4,5-dihydroxyimidazolidin-2-one

4,5-dihydroxyimidazolidin-2-one

C3H6N2O3 (118.0378)


   

4-Ethynylphenol

4-Ethynylphenol

C8H6O (118.0419)


   

3-Ethynylphenol

3-Ethynylphenol

C8H6O (118.0419)


   

Bicyclo[4.2.0]octa-1,3,5-trien-7-one

Bicyclo[4.2.0]octa-1,3,5-trien-7-one

C8H6O (118.0419)


   

4-(fluoromethyl)oxolan-2-one

4-(fluoromethyl)oxolan-2-one

C5H7FO2 (118.043)


   

ETHYL 2-FLUOROACRYLATE

ETHYL 2-FLUOROACRYLATE

C5H7FO2 (118.043)


   

1-(difluoromethyl)pyrazole

1-(difluoromethyl)pyrazole

C4H4F2N2 (118.0343)


   

Tetrahydro-2H-thiopyran-4-ol

Tetrahydro-2H-thiopyran-4-ol

C5H10OS (118.0452)


   

(tetrahydrofuran-3-yl)methanethiol

(tetrahydrofuran-3-yl)methanethiol

C5H10OS (118.0452)


   

Ethanediimidamide,N1,N2-dihydroxy-

Ethanediimidamide,N1,N2-dihydroxy-

C2H6N4O2 (118.0491)


   

4-(difluoromethyl)-1H-pyrazole

4-(difluoromethyl)-1H-pyrazole

C4H4F2N2 (118.0343)


   

2-Ethynyl-phenol

2-Ethynyl-phenol

C8H6O (118.0419)


   

Tetrahydro-2H-pyran-4-thiol

Tetrahydro-2H-pyran-4-thiol

C5H10OS (118.0452)


   

3-Fluoropentane-2,4-dione

3-Fluoropentane-2,4-dione

C5H7FO2 (118.043)


   

methyl hydrazino(oxo)acetate(SALTDATA: FREE)

methyl hydrazino(oxo)acetate(SALTDATA: FREE)

C3H6N2O3 (118.0378)


   

(S)-4-(FLUOROMETHYL)DIHYDROFURAN-2(3H)-ONE

(S)-4-(FLUOROMETHYL)DIHYDROFURAN-2(3H)-ONE

C5H7FO2 (118.043)


   

Isobenzofuran

Isobenzofuran

C8H6O (118.0419)


   

L-threoninate

L-threoninate

C4H8NO3- (118.0504)


An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group.

   

Trimethylsilyl formate

Trimethylsilyl formate

C4H10O2Si (118.045)


   

Coumarone

BENZOFURAN

C8H6O (118.0419)


   

Coumaron

5-17-02-00003 (Beilstein Handbook Reference)

C8H6O (118.0419)


   

D-threoninate

D-threoninate

C4H8NO3- (118.0504)


The D-enantiomer of threoninate.

   

4-Amino-3-hydroxybutanoate

4-Amino-3-hydroxybutanoate

C4H8NO3- (118.0504)


The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.

   

Homoserinate

Homoserinate

C4H8NO3- (118.0504)


An alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine.

   

N-carbamoylglycine

N-carbamoylglycine

C3H6N2O3 (118.0378)


A member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine.

   

4-Methylthio-2-butanone

4-(Methylthio)-2-butanone

C5H10OS (118.0452)


   

2-Methyltetrahydrofuran-3-thiol

2-Methyltetrahydrofuran-3-thiol

C5H10OS (118.0452)


   

1-(Methylthio)-2-butanone

1-(Methylthio)-2-butanone

C5H10OS (118.0452)


   

4-(Methylthio)butanal

4-(Methylthio)butanal

C5H10OS (118.0452)


   

4-Mercapto-2-pentanone

4-mercapto-2-pentanone 1\\% in acetoin

C5H10OS (118.0452)


   

2,3-Octadiene-5,7-diyn-1-ol

2,3-Octadiene-5,7-diyn-1-ol

C8H6O (118.0419)


   

(S)-Methylbutanethioic acid

(S)-Methylbutanethioic acid

C5H10OS (118.0452)


   

Allophanic acid methyl ester

Allophanic acid, methyl ester

C3H6N2O3 (118.0378)


   

methylcarbamoylcarbamate

methylcarbamoylcarbamate

C3H6N2O3 (118.0378)


A carbamate ester obatined by the formal condensation of urea-1-carboxylic acid with methanol.

   

isopropyl ethanethioate

isopropyl ethanethioate

C5H10OS (118.0452)


   

3,4,5,8-tetrahydro-2h-cuban-1-ol

3,4,5,8-tetrahydro-2h-cuban-1-ol

C8H6O (118.0419)


   

methyl isobutanethioate

methyl isobutanethioate

C5H10OS (118.0452)