Exact Mass: 121.9851392

Exact Mass Matches: 121.9851392

Found 124 metabolites which its exact mass value is equals to given mass value 121.9851392, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

3-Mercaptolactic acid

(R)-2-hydroxy-3-mercaptopropanoic acid

C3H6O3S (122.0037646)


3-Mercaptolactic acid is a thiol that has been confirmed to be found in urine (PMID 8852041). [HMDB] 3-Mercaptolactic acid is a thiol that has been confirmed to be found in urine (PMID 8852041).

   

2-Bromoacetaldehyde

Bromoacetaldehyde, 2-(14)C-labeled

C2H3BrO (121.9367248)


This compound belongs to the family of Enolates. These are salts of enols (or of the tautomeric aldehydes or ketones), in which the anionic charge is delocalized over oxygen and carbon, or similar covalent metal derivatives in which the metal is bound to oxygen.

   

1,3-Propane sultone

1,2λ⁶-oxathiolane-2,2-dione

C3H6O3S (122.0037646)


   

Dimethylarsinous acid

Dimethylarsinous-acid

C2H7AsO (121.9712832)


Dimethylarsinous acid is a reactive organic intermediate of dimethylarsinic acid involved in toxicity. Dimethylarsinous acid is detected in the urine of individuals who ingest arsenic-polluted drinking water. The cytogenetic study in V79 cells using iododimethylarsine, which is easily hydrolyzed to dimethylarsinous acid in water, revealed that dimethylarsinous acid was very cytotoxic (50\\% growth inhibition concentration; 1.1 (+-) 0.14 uM), and either induced aneuploids or a high rate of tetraploids (73\\% at 2.5 μM). Dimethylarsinous acid caused mitotic arrest, since the mitotic index at toxic dose (5 μM) was 13.9\\%, significantly higher than the control (2.7\\%). Dimethylarsinous acid significantly increased sister chromatid exchange (SCE) and chromosomal aberrations, most of which were chromatid gaps and chromatid breaks. The cytotoxicity and the activity of dimethylarsinous acid in inducing chromosomal aberration or SCE was as effective as arsenite, but the activity was much lower than that of mitomycin C, which was used as a positive control. The most potent effects of dimethylarsinous acid on the cells were induction of aneuploids, tetraploids and c-mitosis. The toxicity of dimethylarsinous acid is strongly related to the disturbance of the normal cell cycle.(PMID: 15276414). Dimethylarsinous acid is a reactive organic intermediate of dimethylarsinic acid involved in toxicity.

   

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

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

C3H3ClO3 (121.9770718)


   

Methyl propyl disulfide

Methyl propyl disulfide, >=95\\%, FG

C4H10S2 (122.02239)


Constituent of chive (Allium schoenoprasum) and other Allium subspecies Flavouring component of onion oiland is also present in cooked cabbage, French fried potato, cooked beef, roasted peanut, brussel sprouts and tomato. Methyl propyl disulfide is found in many foods, some of which are potato, nuts, chives, and brassicas. Methyl propyl disulfide is found in animal foods. Methyl propyl disulfide is a constituent of chive (Allium schoenoprasum) and other Allium species Methyl propyl disulfide is a flavouring component of onion oil. Also present in cooked cabbage, French fried potato, cooked beef, roasted peanut, brussel sprouts and tomato Methyl propyl disulfide is an organic disulfide. Methyl propyl disulfide is a natural product found in Azadirachta indica, Allium chinense, and other organisms with data available. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2]. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].

   

Diethyl disulfide

1-(Ethyldisulfanyl)ethane

C4H10S2 (122.02239)


Diethyl disulfide, also known as 1,1-dithiodiethane or 3,4-dithiahexane, belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R where R and R are both alkyl groups. Diethyl disulfide is possibly neutral. Diethyl disulfide is a garlic and greasy tasting compound. Diethyl disulfide has been detected, but not quantified, in cabbages and fruits. Present in durian fruit. Diethyl disulfide is found in fruits.

   

2,3-Butanedithiol

2,3-Dimercaptobutane

C4H10S2 (122.02239)


2,3-Butanedithiol is a flavouring agent Flavouring agent

   

1,2-Bis(methylthio)ethane

Ethane, 1,2-bis(methylthio)- (9ci)

C4H10S2 (122.02239)


1,2-bis(methylthio)ethane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

(±)-1,3-Butanedithiol

(±)-1,3-Butanedithiol

C4H10S2 (122.02239)


1,3-Butanedithiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). Flavouring agent

   

1,2-Butanedithiol

1-Ethyl-1,2-ethanedithiol

C4H10S2 (122.02239)


(±)-1,2-Butanedithiol is a flavouring agent. It is used as a food additive

   

Para-Nitrophenyl

6-nitrocyclohexa-2,3,5-trien-1-yl

C6H4NO2 (122.0242024)


   

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

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

C3H3ClO3 (121.9770718)


   

Ethanediperoxoic acid

Ethanediperoxoic acid

C2H2O6 (121.9851392)


   

Ethylxanthate

ethyl sulfanylmethanethioate

C3H6OS2 (121.9860066)


D000890 - Anti-Infective Agents

   

Imidazotetrazine

5H-imidazo[4,5-e][1,2,3,4]tetrazine

C3H2N6 (122.0340932)


   

Peroxydicarbonic acid

Carboxyoxy hydrogen carbonic acid

C2H2O6 (121.9851392)


   

Propyl chloroformate

chloro(propoxy)methanone

C4H7ClO2 (122.0134552)


   

1-Sulfonylurea

N-(dioxo-lambda6-sulfanylidene)carbamimidic acid

CH2N2O3S (121.97861420000001)


   

Oxalates

diazaniumyl oxalate

C2H6N2O4 (122.0327556)


Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2‚àí 4, also written (COO)2‚àí 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox . Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2− 4, also written (COO)2− 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox .

   

Methyl oxalyl chloride

Methyl oxalyl chloride

C3H3ClO3 (121.9770718)


   
   

2-(Methyldisulfanyl)propane

2-(Methyldisulfanyl)propane

C4H10S2 (122.02239)


   

thiobenzaldehyde

thiobenzaldehyde

C7H6S (122.0190196)


   
   

3-Mercaptolactic acid

(R)-2-hydroxy-3-mercaptopropanoic acid

C3H6O3S (122.0037646)


A (2R)-2-hydroxy monocarboxylic acid consisting of lactic acid having a sulfanyl group at the 3-position.

   

DmaIII

Dimethylarsinous-acid

C2H7AsO (121.9712832)


   

b-Mercaptolactic acid

b-Mercaptolactic acid

C3H6O3S (122.0037646)


   

Ethyl disulphide

1-(Ethyldisulfanyl)ethane

C4H10S2 (122.02239)


   

UNII:69G298U39K

2,3-Dimercaptobutane

C4H10S2 (122.02239)


   

CH3Sch2ch2Sch3

Ethane, 1,2-bis(methylthio)- (9ci)

C4H10S2 (122.02239)


   

Methyldithiopropane

1-(Methyldisulfanyl)propane

C4H10S2 (122.02239)


Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2]. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].

   

butane-1,3-dithiol

(±)-1,3-Butanedithiol

C4H10S2 (122.02239)


   

FEMA 3528

1-Ethyl-1,2-ethanedithiol

C4H10S2 (122.02239)


   

cis-3,4-dichlorocyclobutene

cis-3,4-dichlorocyclobutene

C4H4Cl2 (121.9690044)


   

1,1,2-TRIFLUORO-1,3-PENTADIENE

1,1,2-TRIFLUORO-1,3-PENTADIENE

C5H5F3 (122.0343326)


   

2-Chloroethyl Acetate

2-Chloroethyl Acetate

C4H7ClO2 (122.0134552)


   

POTASSIUM SODIUM CARBONATE

POTASSIUM SODIUM CARBONATE

CKNaO3 (121.938223)


   

3-PYRAZOLIDINONE HYDROCHLORIDE

3-PYRAZOLIDINONE HYDROCHLORIDE

C3H7ClN2O (122.0246882)


   

1-Bromopropane

1-Bromopropane

C3H7Br (121.9731082)


   

2-chloro-2-methylpropionic acid

2-chloro-2-methylpropionic acid

C4H7ClO2 (122.0134552)


   

ethyl chloroacetate

ethyl chloroacetate

C4H7ClO2 (122.0134552)


   

2-AMINO-2-OXAZOLINE HYDROCHLORIDE

2-AMINO-2-OXAZOLINE HYDROCHLORIDE

C3H7ClN2O (122.0246882)


   
   

Cyclopropanesulfonic acid

Cyclopropanesulfonic acid

C3H6O3S (122.0037646)


   

S,S-Dimethyl dithiocarbonate

S,S-Dimethyl dithiocarbonate

C3H6OS2 (121.9860066)


   

Methyl 3-cholorocaetate

Methyl 3-cholorocaetate

C4H7ClO2 (122.0134552)


   

1,3,2-Dioxathiane 2-oxide

1,3,2-Dioxathiane 2-oxide

C3H6O3S (122.0037646)


   
   

2-ETHYNYL-3-METHYL-THIOPHENE

2-ETHYNYL-3-METHYL-THIOPHENE

C7H6S (122.0190196)


   

2-Cyano-4-fluoropyridine

2-Cyano-4-fluoropyridine

C6H3FN2 (122.028025)


   

3-chloro-2-methylpropionic acid

3-chloro-2-methylpropionic acid

C4H7ClO2 (122.0134552)


   

2-Chlorobutanoic acid

2-Chlorobutanoic acid

C4H7ClO2 (122.0134552)


   

Isopropyl chloroformate

Isopropyl chloroformate

C4H7ClO2 (122.0134552)


   

4-Chlorobutyric acid

4-Chlorobutyric acid

C4H7ClO2 (122.0134552)


   
   

2-Cyano-5-fluoropyridine

2-Cyano-5-fluoropyridine

C6H3FN2 (122.028025)


   

2,2-Difluorocyclopropanecarboxylic acid

2,2-Difluorocyclopropanecarboxylic acid

C4H4F2O2 (122.01793479999999)


   

3-CHLOROPYRUVIC ACID

3-CHLOROPYRUVIC ACID

C3H3ClO3 (121.9770718)


   

2-(Chloromethyl)-1,3-dioxolane

2-(Chloromethyl)-1,3-dioxolane

C4H7ClO2 (122.0134552)


   
   

Potassium trifluoro(methyl)borate

Potassium trifluoro(methyl)borate

CH3BF3K (121.9916964)


   

Sodium 2,2,2-trifluoroethanolate

Sodium 2,2,2-trifluoroethanolate

C2H2F3NaO (121.9955438)


   
   

3-(Aminooxy)propanenitrile hydrochloride (1:1)

3-(Aminooxy)propanenitrile hydrochloride (1:1)

C3H7ClN2O (122.0246882)


   

prop-2-ene-1-sulfonic acid

prop-2-ene-1-sulfonic acid

C3H6O3S (122.0037646)


   

3-Fluoro-4-cyanopyridine

3-Fluoro-4-cyanopyridine

C6H3FN2 (122.028025)


   

sodium silicate

Sodium silicate (Na2SiO3)

Na2O3Si (121.941213)


It is used in food processing as a boiler water additive, in washing and lye peeling of fruits, vegetables and nuts; denuding agent for tripe; hog scald agent for removing hair, corrosion preventative in canned and bottled water. Potential food migration residue from paper/board or cotton fabric packaging

   

Chloro(ethyl)dimethylsilane

Chloro(ethyl)dimethylsilane

C4H11ClSi (122.0318516)


   
   

1,4-Butanedithiol

1,4-Butanedithiol

C4H10S2 (122.02239)


   

5-Cyano-2-fluoropyridine

5-Cyano-2-fluoropyridine

C6H3FN2 (122.028025)


   

2-Cyano-3-fluoropyridine

2-Cyano-3-fluoropyridine

C6H3FN2 (122.028025)


   

2-Fluoroisonicotinonitrile

2-Fluoroisonicotinonitrile

C6H3FN2 (122.028025)


   

Imidazolidin-4-one hydrochloride

Imidazolidin-4-one hydrochloride

C3H7ClN2O (122.0246882)


   

4-Fluoro-nicotinonitrile

4-Fluoro-nicotinonitrile

C6H3FN2 (122.028025)


   

6-Fluoro-2-pyridinecarbonitrile

6-Fluoro-2-pyridinecarbonitrile

C6H3FN2 (122.028025)


   

2-Fluoronicotinonitrile

2-Fluoronicotinonitrile

C6H3FN2 (122.028025)


   

3-Cyano-5-fluoropyridine

3-Cyano-5-fluoropyridine

C6H3FN2 (122.028025)


   

Potassium difluorodihydroxyborate(1-)

Potassium difluorodihydroxyborate(1-)

BF2H2KO2 (121.97529859999999)


   

Propyl chloroformate

Propyl carbonochloridate

C4H7ClO2 (122.0134552)


   

1,3,2-Dioxathiolane,4-methyl-, 2-oxide

1,3,2-Dioxathiolane,4-methyl-, 2-oxide

C3H6O3S (122.0037646)


   
   

Copper(I) Acetate

Copper(I) Acetate

C2H3CuO2 (121.9429028)


   
   
   

ethoxyacetyl chloride

ethoxyacetyl chloride

C4H7ClO2 (122.0134552)


   

2-chlorobuta-1,3-diene,sulfane

2-chlorobuta-1,3-diene,sulfane

C4H7ClS (121.9956972)


   

1,2,5-Thiadiazolidine 1,1-dioxide

1,2,5-Thiadiazolidine 1,1-dioxide

C2H6N2O2S (122.0149976)


   

Chloromethyltrimethylsilane

(Chloromethyl)trimethylsilane

C4H11ClSi (122.0318516)


   

3-Chlorobutanoic acid

3-Chlorobutanoic acid

C4H7ClO2 (122.0134552)


   

2,3-Dichlorobutadiene

2,3-Dichlorobutadiene

C4H4Cl2 (121.9690044)


   
   
   

2-ethynyl-5-methylthiophene

2-ethynyl-5-methylthiophene

C7H6S (122.0190196)


   

1,4-Dichlorbut-2-in

1,4-Dichlorbut-2-in

C4H4Cl2 (121.9690044)


   

(1S,4S)-5-METHYL-2,5-DIAZABICYCLO[2.2.1]HEPTANE

(1S,4S)-5-METHYL-2,5-DIAZABICYCLO[2.2.1]HEPTANE

C4H4ClFO (121.9934696)


   

1,3-butanedithiol

1,3-butanedithiol

C4H10S2 (122.02239)


   

2-Bromopropane

2-Bromopropane

C3H7Br (121.9731082)


D009676 - Noxae > D009153 - Mutagens D012997 - Solvents

   

Urea,N-(2-chloroethyl)-

Urea,N-(2-chloroethyl)-

C3H7ClN2O (122.0246882)


   

Peroxydicarbonic acid

Peroxydicarbonic acid

C2H2O6 (121.9851392)


   

Nitrocyclohexatriene

Nitrocyclohexatriene

C6H4NO2 (122.0242024)


   

2-Ethylthioethanethiol

2-Ethylthioethanethiol

C4H10S2 (122.02239)


   

bis(Hydroxymethyl)nitramine

bis(Hydroxymethyl)nitramine

C2H6N2O4 (122.0327556)


   

AI3-38157

1-methyldisulfanylpropane

C4H10S2 (122.02239)


Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2]. Methyl propyl disulfide is an volatile sulfur-containing compound produced in garlic and onions with anticaner effect[1][2].

   

XL1-XL1

InChI=1\C4H10S2\c1-3-5-6-4-2\h3-4H2,1-2H

C4H10S2 (122.02239)


   

Benzenecarbothialdehyde

Benzenecarbothialdehyde

C7H6S (122.0190196)


   
   

nicotinate

nicotinate

C6H4NO2- (122.0242024)


A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D018977 - Micronutrients > D014815 - Vitamins D009676 - Noxae > D000963 - Antimetabolites COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Picolinate

Picolinate

C6H4NO2- (122.0242024)


A pyridinemonocarboxylate resulting from the removal of a proton from the carboxy group of picolinic acid. D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents

   

Isonicotinate

Isonicotinate

C6H4NO2- (122.0242024)


A pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid.

   
   
   
   
   

L-cysteinium

L-cysteinium

C3H8NO2S+ (122.0275728)


The L-enantiomer of cysteinium.

   
   

D-cysteinium

D-cysteinium

C3H8NO2S+ (122.0275728)


The D-enantiomer of cysteinium.

   

1,3-Propanesultone

1,3-Propane sultone

C3H6O3S (122.0037646)


   

dimethylarsinous acid

dimethylarsinous acid

C2H7AsO (121.9712832)


   

DIETHYL DISULFIDE

DIETHYL DISULFIDE

C4H10S2 (122.02239)


   

1,2-Bis(methylthio)ethane

1,2-Bis(methylthio)ethane

C4H10S2 (122.02239)


   

1,2-Butanedithiol

1,2-Butanedithiol

C4H10S2 (122.02239)


   

bromoacetaldehyde

2-Bromoacetaldehyde

C2H3BrO (121.9367248)