Exact Mass: 104.0334

Exact Mass Matches: 104.0334

Found 76 metabolites which its exact mass value is equals to given mass value 104.0334, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

2-Cyanopyridine

2-Cyanopyridine

C6H4N2 (104.0374)


KEIO_ID C089

   

Isonicotinonitrile

Isonicotinonitrile

C6H4N2 (104.0374)


   

3-(Methylthio)propanal

3-(methylthio)Propionaldehyde (methional)

C4H8OS (104.0296)


3-(Methylthio)propanal, also known as 3-methylsulfanylpropanal or 4-thiapentanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 3-(Methylthio)propanal is a beef, cooked potato, and creamy tasting compound. 3-(Methylthio)propanal has been detected, but not quantified, in several different foods, such as anises, sparkleberries, oats, passion fruits, and hard wheats. 3-(Methylthio)propanal is a flavouring ingredient. It is found in many foods, some of which are cucumber, jujube, mugwort, and chicory leaves. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists

   

S-Methyl propanethioate

2-[(1H-Benzimidazol-2-ylmethyl)thio]-N-2-naphthylacetamide

C4H8OS (104.0296)


S-Methyl propanethioate is a flavouring ingredient [CCD Flavouring ingredient [CCD]

   

S-Ethyl thioacetate

Ethanethioic acid, S-ethyl ester

C4H8OS (104.0296)


S-Ethyl thioacetate is a flavouring ingredien Flavouring ingredient

   

3-Mercapto-2-butanone

2-butanone, 3-mercapto-

C4H8OS (104.0296)


3-Mercapto-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

   

(Methylthio)acetone

1-(methylthio)-2-Propanone, 9ci

C4H8OS (104.0296)


(Methylthio)acetone is found in animal foods. (Methylthio)acetone is present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. (Methylthio)acetone is a flavouring agent. Present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. Flavouring agent. (Methylthio)acetone is found in fats and oils, pulses, and animal foods.

   

4-Mercapto-2-butanone

4-Sulphanylbutan-2-one

C4H8OS (104.0296)


4-Mercapto-2-butanone is a flavouring ingredient. Flavouring ingredient

   

Allyl methyl sulfoxide

3-(Methylsulfinyl)-1-propene

C4H8OS (104.0296)


Allyl methyl sulfoxide is an odourless garlic-derived metabolite found in human breast milk and urine. It is likely the oxidation product of allyl methyl sulfide (AMS) otherwise known as 3-(methylthio)-1-propene.

   

Ethylthiourea

N-Ethylcarbamimidothioate

C3H8N2S (104.0408)


   

N,N-Dimethylthiourea

N,N-Dimethylthiourea

C3H8N2S (104.0408)


   

N,N'-DIMETHYLTHIOUREA

N,N-dimethylcarbamimidothioic acid

C3H8N2S (104.0408)


   

s-Ethylisothiourea

2-Ethylisothiourea hydrobromide

C3H8N2S (104.0408)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors

   

Tetramethylene sulfoxide

tetrahydro-Thiophene-1-oxide

C4H8OS (104.0296)


   

thiobutyric acid

butanethioic S-acid

C4H8OS (104.0296)


   

s-ethylisothiourea

s-ethylisothiourea

C3H8N2S (104.0408)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors

   

Tetramethylene sulfoxide

Tetrahydrothiophene 1-oxide

C4H8OS (104.0296)


   

3-Cyanopyridine

3-Cyanopyridine

C6H4N2 (104.0374)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Dinitrile-(Z,Z)-2,4-Hexadienoic acid

Dinitrile-(Z,Z)-2,4-Hexadienoic acid

C6H4N2 (104.0374)


   

1-sulfinylbutane

1-sulfinylbutane

C4H8OS (104.0296)


   

CCC=CSO

CCC=CSO

C4H8OS (104.0296)


   

dimethylthiourea

InChI=1/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6

C3H8N2S (104.0408)


D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2]. N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2].

   

WR 539

ethyl carbamimidothioate, hydrobromide

C3H8N2S (104.0408)


   

Tetrahydrothiophene sulfoxide

Tetrahydrothiophene sulfoxide

C4H8OS (104.0296)


   

Methional

4-01-00-03974 (Beilstein Handbook Reference)

C4H8OS (104.0296)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists

   

Ethyl thioacetate

Ethanethioic acid, S-ethyl ester

C4H8OS (104.0296)


   

S-Methyl thiopropanoate

2-[(1H-Benzimidazol-2-ylmethyl)thio]-N-2-naphthylacetamide

C4H8OS (104.0296)


   

UNII:99G79565PJ

3-Mercapto-2-butanone

C4H8OS (104.0296)


   

FEMA 3882

1-(methylthio)-2-Propanone, 9ci

C4H8OS (104.0296)


   

FEMA 3357

1-Mercaptobutan-3-one

C4H8OS (104.0296)


   

Chlorocyclopentane

Chlorocyclopentane

C5H9Cl (104.0393)


   

boron trifluoride dihydrate

boron trifluoride dihydrate

BF3H4O2 (104.0256)


   

3,3,4,4-tetradeuteriooxolane-2,5-dione

3,3,4,4-tetradeuteriooxolane-2,5-dione

C4D4O3 (104.0412)


   

cyclobutene-1,2-dicarbonitrile

cyclobutene-1,2-dicarbonitrile

C6H4N2 (104.0374)


   

Methyl but-3-ynoate

Methyl but-3-ynoate

C6H4N2 (104.0374)


   

((Methylthio)methyl)oxirane

((Methylthio)methyl)oxirane

C4H8OS (104.0296)


   

1-Fluorocyclopropanecarboxylic acid

1-Fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

2-Isocyanopyridine

2-Isocyanopyridine

C6H4N2 (104.0374)


   

3-CHLORO-3-METHYL-1-BUTENE

3-CHLORO-3-METHYL-1-BUTENE

C5H9Cl (104.0393)


   

(Z,Z)-2,4-HEXADIENEDINITRILE

(Z,Z)-2,4-HEXADIENEDINITRILE

C6H4N2 (104.0374)


   

Ethylthiourea

Ethylthiourea

C3H8N2S (104.0408)


   

3-Hydroxytetrahydrothiophene

3-Hydroxytetrahydrothiophene

C4H8OS (104.0296)


   

1,4-Oxathiane

1,4-Oxathiane

C4H8OS (104.0296)


   

chloromethylcyclobutane

chloromethylcyclobutane

C5H9Cl (104.0393)


   

2-Thiazolidinamine(9CI)

2-Thiazolidinamine(9CI)

C3H8N2S (104.0408)


   

1-Chloro-3-methyl-2-butene

1-Chloro-3-methyl-2-butene

C5H9Cl (104.0393)


   

5-Chloro-1-pentene

5-Chloro-1-pentene

C5H9Cl (104.0393)


   

TETRAHYDRO-THIOPHEN-3-OL

TETRAHYDRO-THIOPHEN-3-OL

C4H8OS (104.0296)


   

Nitroguanidine

Nitroguanidine

CH4N4O2 (104.0334)


   

(1R,2R)-2-fluorocyclopropanecarboxylic acid

(1R,2R)-2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

Methyl 2-fluoroacrylate

Methyl 2-fluoroacrylate

C4H5FO2 (104.0274)


   

N,N-Dimethylthiourea

Thiourea, N,N-dimethyl-

C3H8N2S (104.0408)


   

2-fluorocyclopropanecarboxylic acid

2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)-

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)-

C4H5FO2 (104.0274)


   

(1R,2S)-2-fluorocyclopropanecarboxylic acid

(1R,2S)-2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

5-Ethynylpyrimidine

5-Ethynylpyrimidine

C6H4N2 (104.0374)


   

2-METHYLSULFANYL-ACETAMIDINE

2-METHYLSULFANYL-ACETAMIDINE

C3H8N2S (104.0408)


   

2-ethynylpyrazine

2-ethynylpyrazine

C6H4N2 (104.0374)


   

3-Methylmercaptopropionic Acid

3-Methylmercaptopropionic Acid

C4H8OS (104.0296)


   

1,3-Oxathiane

1,3-Oxathiane

C4H8OS (104.0296)


An organosulfur heterocyclic compound and an oxacycle that is a cyclohexane in which the carbon atoms at position 1 and 3 are replaced by an oxygen and sulfur atom respectively.

   

AI3-16377

InChI=1\C3H8N2S\c1-4-3(6)5-2\h1-2H3,(H2,4,5,6

C3H8N2S (104.0408)


D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2]. N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2].

   

(E)-1-butenesulfenate

(E)-1-butenesulfenate

C4H8OS (104.0296)


   

2-Nitroguanidine

2-Nitroguanidine

CH4N4O2 (104.0334)


   

Serinate

Serinate

C3H6NO3- (104.0348)


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

   

1,3,5-Thiadiazinane

1,3,5-Thiadiazinane

C3H8N2S (104.0408)


   

D-serinate

D-serinate

C3H6NO3- (104.0348)


The D-enantiomer of serinate.

   

(2S)-2-Amino-3-hydroxypropanoate

(2S)-2-Amino-3-hydroxypropanoate

C3H6NO3- (104.0348)


   

Ethyl N-oxidocarbamate

Ethyl N-oxidocarbamate

C3H6NO3- (104.0348)


   

1-(methylthio)acetone

1-methylthio-2-Propanone

C4H8OS (104.0296)


   

4-mercapto-2-butanone

4-mercapto-2-butanone

C4H8OS (104.0296)


   

S-Methyl propanethioate

S-Methyl propanethioate

C4H8OS (104.0296)


   

Allyl methyl sulfoxide

Allyl methyl sulfoxide

C4H8OS (104.0296)


   

L-serinate

L-serinate

C3H6NO3 (104.0348)


A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group.

   

Cyanopyridine

Cyanopyridine

C6H4N2 (104.0374)


   

Methylthiopropanal

Methylthiopropanal

C4H8OS (104.0296)


   

Tetrahydrothiophene-1-oxide

Tetrahydrothiophene-1-oxide

C4H8OS (104.0296)