Exact Mass: 114.0229

Exact Mass Matches: 114.0229

Found 122 metabolites which its exact mass value is equals to given mass value 114.0229, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Methimazole

1-methyl-2,3-dihydro-1H-imidazole-2-thione

C4H6N2S (114.0252)


A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme. [PubChem] H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BB - Sulfur-containing imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent CONFIDENCE standard compound; INTERNAL_ID 1166 KEIO_ID M126

   

Oxopent-4-enoate

(2E)-2-hydroxypenta-2,4-dienoic acid

C5H6O3 (114.0317)


   

cis-Acetylacrylate

(2Z)-4-oxopent-2-enoic acid

C5H6O3 (114.0317)


This compound belongs to the family of Short-chain Keto Acids and Derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms

   

Tulipalin B

2(3H)-Furanone, dihydro-4-hydroxy-3-methylene-

C5H6O3 (114.0317)


A member of the class of butan-4-olides that is 3-methylidenebutan-4-olide carrying an additional hydroxy substituent at position 4 (the 4R-enantiomer)

   

2-hydroxy-4-methyl-2H-furan-5-one

2-hydroxy-4-methyl-2H-furan-5-one

C5H6O3 (114.0317)


   

Norfuraneol

4-Hydroxy-5-methyl-2,3-dihydrofuran-3-one

C5H6O3 (114.0317)


Norfuraneol is found in fruits. Norfuraneol is isolated from oil of figs and from guava. Beef flavouring ingredien Isolated from oil of figs and from guava. Beef flavouring ingredient. Norfuraneol is found in fruits.

   

2-Furanmethanethiol

(2-Furanyl)methylmercaptan

C5H6OS (114.0139)


2-Furanmethanethiol, also known as 2-furfuryl mercaptan or 2-furfurylthiol, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-Furanmethanethiol is a burnt, chocolate, and coffee tasting compound. 2-furanmethanethiol has been detected, but not quantified, in a few different foods, such as cereals and cereal products, coffee and coffee products, and fats and oils. This could make 2-furanmethanethiol a potential biomarker for the consumption of these foods. 2-Furanmethanethiol is a flavouring ingredient used in coffee aroma. Formed by thermal treatment of cysteine ribose mixtures. It is found in cooked meats, popcorn, wheat bread, roasted coffee and roasted sesame seed oil. D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

   

2-Thiophenemethanol

2-(Hydroxymethyl)-thiophene

C5H6OS (114.0139)


2-Thiophenemethanol, also known as 2-thenyl alcohol or 2-thienyl carbinol, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-thenyl alcohol has been reported in coffea arabica and robusta. Maillard product

   

2-Methyl-3-furanthiol

2-Methyl-3-furylmercaptan

C5H6OS (114.0139)


2-Methyl-3-furanthiol is found in animal foods. 2-Methyl-3-furanthiol occurs in chicken, beef and tunafish. 2-Methyl-3-furanthiol is formed by thermal treatment of cysteine-ribose mixtures. 2-Methyl-3-furanthiol is organoleptic compound with beef broth aroma. Occurs in chicken, beef and tunafish. Formed by thermal treatment of cysteine-ribose mixtures. Organoleptic compound with beef broth aroma. 2-Methyl-3-furanthiol is found in fishes and animal foods.

   

5-Methyl-3-furanthiol

4-mercapto-2-Methylfuran

C5H6OS (114.0139)


Cysteine-derived Maillard product. 5-Methyl-3-furanthiol is a component of meat aroma model systems. Possesses a green, meaty-herbaceous odour. Cysteine-derived Maillard product. Component of meat aroma model systems. Possesses a green, meaty-herbaceous odour

   

3-Thiophenemethanol

3-Hydroxymethylthiophene

C5H6OS (114.0139)


3-Thiophenemethanol is a maillard product. Maillard product

   

1H-Imidazole-2-methanethiol

(1H-imidazol-2-yl)methanethiol

C4H6N2S (114.0252)


   

2-(Methylthio)-1H-imidazole

2-(Methylsulphanyl)-1H-imidazole

C4H6N2S (114.0252)


   

Glutaric anhydride

2H-Pyran-2,6(3H)-dione, dihydro

C5H6O3 (114.0317)


   

Ethane-1,1,2-tricarbaldehyde

Ethane-1,1,2-tricarbaldehyde

C5H6O3 (114.0317)


   

4-hydroxymethyl-5h-furan-2-one

4-hydroxymethyl-5h-furan-2-one

C5H6O3 (114.0317)


   

2-Hydroxy-2,4-pentadienoic acid

2-Hydroxy-2,4-pentadienoic acid

C5H6O3 (114.0317)


   

GLUTARIC ANHYDRIDE

GLUTARIC ANHYDRIDE

C5H6O3 (114.0317)


   

5-fluoropyrimidin-2-ol

5-fluoropyrimidin-2-ol

C4H3FN2O (114.0229)


   

3-methoxy-2(5h)-furanone

3-methoxy-2(5h)-furanone

C5H6O3 (114.0317)


   

Reductic acid

Reductic acid

C5H6O3 (114.0317)


   

5-(Hydroxymethyl)-2(5H)-furanone

5-(Hydroxymethyl)-2(5H)-furanone

C5H6O3 (114.0317)


   

5-hydroxy-3-methylfuran-2(5H)-one

5-hydroxy-3-methylfuran-2(5H)-one

C5H6O3 (114.0317)


A butenolide that is furan-2(5H)-one substituted by a methyl group at position 3 and a hydroxy group at position 4.

   

4-Hydroxy-5-methyl-5H-furan-2-one

4-Hydroxy-5-methyl-5H-furan-2-one

C5H6O3 (114.0317)


   

oxane-2,5-dione

oxane-2,5-dione

C5H6O3 (114.0317)


   

4-Methoxy-2(5H)-furanone

4-Methoxy-2(5H)-furanone

C5H6O3 (114.0317)


   

5-methyloxolane-2,4-dione

5-methyloxolane-2,4-dione

C5H6O3 (114.0317)


   

2-oxopent-4-enoic acid

2-oxopent-4-enoic acid

C5H6O3 (114.0317)


   

methimazole

2-mercapto-1-methylimidazole

C4H6N2S (114.0252)


H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BB - Sulfur-containing imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent CONFIDENCE standard compound; INTERNAL_ID 1167

   

5-Fluro-2-pyrimidone

5-Fluro-2-pyrimidone

C4H3FN2O (114.0229)


   

(S)-5-Hydroxymethyl-2[5H]-furanone

(S)-5-Hydroxymethyl-2[5H]-furanone

C5H6O3 (114.0317)


   

3-oxo-4-pentenoic acid

4-Pentenoic acid, 3-oxo-

C5H6O3 (114.0317)


   

Norfuraneol

4-Hydroxy-5-methyl-2,3-dihydrofuran-3-one

C5H6O3 (114.0317)


   

Furfuryl thiol

(2-Furanyl)methylmercaptan

C5H6OS (114.0139)


D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

   

Thenyl alcohol

2-(Hydroxymethyl)-thiophene

C5H6OS (114.0139)


   

FEMA 3188

2-Methyl-3-furylmercaptan

C5H6OS (114.0139)


   

5-methylfuran-3-thiol

4-mercapto-2-Methylfuran

C5H6OS (114.0139)


   

3-Thienylmethanol

3-Hydroxymethylthiophene

C5H6OS (114.0139)


   

FA 5:2;O

4-Pentenoic acid, 3-oxo-

C5H6O3 (114.0317)


   

3-Nitro-1,2,4-triazole

3-Nitro-1,2,4-triazole

C2H2N4O2 (114.0178)


   

4-methyl-1,3-dihydroimidazole-2-thione

4-methyl-1,3-dihydroimidazole-2-thione

C4H6N2S (114.0252)


   

1H-imidazol-5-ylmethanethiol

1H-imidazol-5-ylmethanethiol

C4H6N2S (114.0252)


   

4,5-Dimethyl-1,3-dioxol-2-one

4,5-Dimethyl-1,3-dioxol-2-one

C5H6O3 (114.0317)


   

1,4-Difluorobenzene

1,4-Difluorobenzene

C6H4F2 (114.0281)


   

2-Methoxythiophene

2-Methoxythiophene

C5H6OS (114.0139)


   

1,2-Difluorobenzene

1,2-Difluorobenzene

C6H4F2 (114.0281)


   

2,5-dihydrothiophene-3-carbaldehyde

2,5-dihydrothiophene-3-carbaldehyde

C5H6OS (114.0139)


   

METHYL 4-OXOBUT-2-ENOATE

METHYL 4-OXOBUT-2-ENOATE

C5H6O3 (114.0317)


   

Methyl 4-hydroxy-2-butynoate

Methyl 4-hydroxy-2-butynoate

C5H6O3 (114.0317)


   

3-METHYLISOTHIAZOL-4-AMINE

3-METHYLISOTHIAZOL-4-AMINE

C4H6N2S (114.0252)


   

2-methyl-1,3-thiazol-5-amine

2-methyl-1,3-thiazol-5-amine

C4H6N2S (114.0252)


   

Cyclopropyl(oxo)acetic acid

Cyclopropyl(oxo)acetic acid

C5H6O3 (114.0317)


   

2-Amino-5-methylthiazole

2-Amino-5-methylthiazole

C4H6N2S (114.0252)


   

Carbonic acid, methyl 2-propynyl ester

Carbonic acid, methyl 2-propynyl ester

C5H6O3 (114.0317)


   

5-Fluoropyrimidin-2-one

2-Pyrimidinol, 5-fluoro- (9CI)

C4H3FN2O (114.0229)


   

5-methoxyfuran-2(5H)-one

5-methoxyfuran-2(5H)-one

C5H6O3 (114.0317)


   

4-Vinyl-1,3-dioxolan-2-one

4-Vinyl-1,3-dioxolan-2-one

C5H6O3 (114.0317)


   

4-Methylthiazol-2-amine

4-Methylthiazol-2-amine

C4H6N2S (114.0252)


   

1,1,1-Trifluoro-2-propanol

1,1,1-Trifluoro-2-propanol

C3H5F3O (114.0292)


   

4,5-Dihydrofuran-3-carboxylic acid

4,5-Dihydrofuran-3-carboxylic acid

C5H6O3 (114.0317)


   

2-Methylthiazol-4-amine

2-Methylthiazol-4-amine

C4H6N2S (114.0252)


   

3,3,3-Trifluoropropanol

3,3,3-Trifluoro-1-propanol

C3H5F3O (114.0292)


   

1,3,4-Thiadiazole,2,5-dimethyl-

1,3,4-Thiadiazole,2,5-dimethyl-

C4H6N2S (114.0252)


   

4-(METHYLTHIO)-1H-IMIDAZOLE

4-(METHYLTHIO)-1H-IMIDAZOLE

C4H6N2S (114.0252)


   

1,1,1-Trifluoro-2-methoxyethane

1,1,1-Trifluoro-2-methoxyethane

C3H5F3O (114.0292)


   

(R)-(+)-5-(Hydroxymethyl)-2(5H)-furanone

(R)-(+)-5-(Hydroxymethyl)-2(5H)-furanone

C5H6O3 (114.0317)


   

3-Methylisothiazol-5-amine

3-Methylisothiazol-5-amine

C4H6N2S (114.0252)


   

2-methyl-1H-pyrazole-5-thione

2-methyl-1H-pyrazole-5-thione

C4H6N2S (114.0252)


   

4-Hydroxy-5-fluorpyrimidine

4-Hydroxy-5-fluorpyrimidine

C4H3FN2O (114.0229)


   

5-Hydroxy-4-methyl-2(5H)Furanone

5-Hydroxy-4-methyl-2(5H)Furanone

C5H6O3 (114.0317)


   

C-Thiazol-4-Yl-Methylamine

C-Thiazol-4-Yl-Methylamine

C4H6N2S (114.0252)


   

2-chloroethyl-d4 methyl sulfide

2-chloroethyl-d4 methyl sulfide

C3H3ClD4S (114.0208)


   

fumaraldehydic acid methyl ester

fumaraldehydic acid methyl ester

C5H6O3 (114.0317)


   

ethyl trifluoromethyl ether

ethyl trifluoromethyl ether

C3H5F3O (114.0292)


   

2-Aminomethylthiazole

2-Aminomethylthiazole

C4H6N2S (114.0252)


   

3-Isothiazolemethanamine

3-Isothiazolemethanamine

C4H6N2S (114.0252)


   

(S)-5-Hydroxymethyl-2(5H)-furanone

(S)-5-Hydroxymethyl-2(5H)-furanone

C5H6O3 (114.0317)


   

Isothiazol-4-ylmethanamine

Isothiazol-4-ylmethanamine

C4H6N2S (114.0252)


   

4-Nitro-2H-1,2,3-triazole

4-Nitro-2H-1,2,3-triazole

C2H2N4O2 (114.0178)


   

3-Oxocyclobutanecarboxylic acid

3-Oxocyclobutanecarboxylic acid

C5H6O3 (114.0317)


   

chlorobenzene-3,5-d2

chlorobenzene-3,5-d2

C6H3ClD2 (114.0205)


   

Methylsuccinic anhydride

3-methyloxolane-2,5-dione

C5H6O3 (114.0317)


   

3,4-Diaminothiophene dihydrobromide

3,4-Diaminothiophene dihydrobromide

C4H6N2S (114.0252)


   

1,3-Difluorobenzene

1,3-Difluorobenzene

C6H4F2 (114.0281)


   

3-acetylacrylic acid

3-acetylacrylic acid

C5H6O3 (114.0317)


   

2,5-DIHYDRO-FURAN-2-CARBOXYLICACID

2,5-DIHYDRO-FURAN-2-CARBOXYLICACID

C5H6O3 (114.0317)


   

Thiazol-5-ylmethanamine

Thiazol-5-ylmethanamine

C4H6N2S (114.0252)


   

2H-Pyran-3,5(4H,6H)-dione

2H-Pyran-3,5(4H,6H)-dione

C5H6O3 (114.0317)


   

α-Methyltetronic acid

α-Methyltetronic acid

C5H6O3 (114.0317)


   

Sodium propionate hydrate

sodium,propanoate,hydrate

C3H7NaO3 (114.0293)


   

3-Methoxythiophene

3-Methoxythiophene

C5H6OS (114.0139)


   

1H-1,2,3-triazole,5-nitro-

1H-1,2,3-triazole,5-nitro-

C2H2N4O2 (114.0178)


   

N-Methyl-2-thiazolamine

N-Methyl-2-thiazolamine

C4H6N2S (114.0252)


   

Methanediol, 2-furanyl-

Methanediol, 2-furanyl-

C5H6O3 (114.0317)


   

(4R)-4-hydroxy-3-methylideneoxolan-2-one

(4R)-4-hydroxy-3-methylideneoxolan-2-one

C5H6O3 (114.0317)


   

2-Oxo-3-pentenoic acid

2-Oxo-3-pentenoic acid

C5H6O3 (114.0317)


   

Maleamate

Maleamate

C4H4NO3- (114.0191)


A monocarboxylic acid anion that is the conjugate base of maleamic acid.

   

(E)-2-oxopent-3-enoic acid

(E)-2-oxopent-3-enoic acid

C5H6O3 (114.0317)


   

Fumaric acid amide

Fumaric acid amide

C4H4NO3- (114.0191)


   

(R)-4-Hydroxy-5-methylfuran-2(5H)-one

(R)-4-Hydroxy-5-methylfuran-2(5H)-one

C5H6O3 (114.0317)


   

1,1-(1,2-Ethanediyl)bis[1-methyl-silane]

1,1-(1,2-Ethanediyl)bis[1-methyl-silane]

C4H10Si2 (114.0321)


   

1,2-Bis(methylsilyl)ethane (D4)

1,2-Bis(methylsilyl)ethane (D4)

C4H10Si2 (114.0321)


   

cis-2-hydroxypenta-2,4-dienoic acid

(2E)-2-hydroxypenta-2,4-dienoic acid

C5H6O3 (114.0317)


The cis-isomer of 2-hydroxypenta-2,4-dienoic acid.

   

cis-Acetylacrylic acid

cis-Acetylacrylic acid

C5H6O3 (114.0317)


   

Furfuryl mercaptan

Furan-2-yl-methanethiol

C5H6OS (114.0139)


D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

   

4-hyroxy-5-methyl-3-furanone

4-Hydroxy-5-methylfuran-3(2H)-one

C5H6O3 (114.0317)


   

2-Methyl-3-furanthiol

2-Methyl-3-furanthiol

C5H6OS (114.0139)


   

2-hydroxypenta-2,4-dienoic acid

2-hydroxypenta-2,4-dienoic acid

C5H6O3 (114.0317)


A 5-carbon, bis-unsaturated, alpha-hydroxy fatty acid metabolite of the proteobacterium substrate 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (HOPDA).

   

(2Z)-2-hydroxypenta-2,4-dienoic acid

(2Z)-2-hydroxypenta-2,4-dienoic acid

C5H6O3 (114.0317)


A 2-hydroxypenta-2,4-dienoic acid in which the double bond between positions 2 and 3 has Z- (trans-) geometry.

   

4-Hydroxy-5-methyl-3-furanone

4-Hydroxy-5-methyl-3-furanone

C5H6O3 (114.0317)


A member of the class of furans that is 5-methyl-2,3-dihydrofuran with a hydroxy group at position 4 and a keto group at position 3.

   

3-methylsuccinic anhydride

3-methylsuccinic anhydride

C5H6O3 (114.0317)


A tetrahydrofurandione that is succinic anhydride substituted by a methyl group at position 3.

   

Oxopentenoic acid

Oxopentenoic acid

C5H6O3 (114.0317)


   

Oxolinicacid

Oxolinicacid

C5H6O3 (114.0317)


   

Furanmethanethiol

Furanmethanethiol

C5H6OS (114.0139)


   

4-(hydroxymethyl)-5h-furan-2-one

4-(hydroxymethyl)-5h-furan-2-one

C5H6O3 (114.0317)


   

4-methoxy-5h-furan-2-one

4-methoxy-5h-furan-2-one

C5H6O3 (114.0317)


   

(5s)-5-hydroxy-3-methyl-5h-furan-2-one

(5s)-5-hydroxy-3-methyl-5h-furan-2-one

C5H6O3 (114.0317)


   

β-hydroxy-α-methylene-γ-butyllactone

NA

C5H6O3 (114.0317)


{"Ingredient_id": "HBIN018153","Ingredient_name": "\u03b2-hydroxy-\u03b1-methylene-\u03b3-butyllactone","Alias": "NA","Ingredient_formula": "C5H6O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10487","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-hydroxy-3-methyl-5h-furan-2-one

5-hydroxy-3-methyl-5h-furan-2-one

C5H6O3 (114.0317)


   

4-hydroxy-3-methylideneoxolan-2-one

4-hydroxy-3-methylideneoxolan-2-one

C5H6O3 (114.0317)


   

3-(hydroxymethyl)-5h-furan-2-one

3-(hydroxymethyl)-5h-furan-2-one

C5H6O3 (114.0317)


   

3-methoxy-5h-furan-2-one

3-methoxy-5h-furan-2-one

C5H6O3 (114.0317)