Exact Mass: 119.9657244

Exact Mass Matches: 119.9657244

Found 97 metabolites which its exact mass value is equals to given mass value 119.9657244, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Tartronate (hydroxymalonate)

Propanedioic acid, hydroxy- (9ci)

C3H4O5 (120.0058734)


Hydroxypropanedioic acid is found in potato. Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. (Wikipedia). Hydroxypropanedioic acid has been identified in the human placenta (PMID: 32033212). Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. Hydroxypropanedioic acid is found in potato. KEIO_ID T050

   

3-Mercaptopyruvic acid

beta-3-Mercapto-2-oxo-propanoic acid

C3H4O3S (119.9881154)


3-Mercaptopyruvic acid, also known as 3-mercapto-2-oxopropanoate or beta-thiopyruvate, belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. 3-Mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. Within humans, 3-mercaptopyruvic acid participates in a number of enzymatic reactions. In particular, 3-mercaptopyruvic acid and cyanide can be converted into pyruvic acid and thiocyanate; which is mediated by the enzyme 3-mercaptopyruvate sulfurtransferase. In addition, 3-mercaptopyruvic acid can be biosynthesized from 3-mercaptolactic acid; which is mediated by the enzyme L-lactate dehydrogenase. It has been studied as a potential treatment for cyanide poisoning, but its half-life is too short for it to be clinically effective. In humans, 3-mercaptopyruvic acid is involved in cystinosis, ocular nonnephropathic. Outside of the human body, 3-mercaptopyruvic acid has been detected, but not quantified in several different foods, such as lima beans, spinachs, shallots, mexican groundcherries, and white lupines. This could make 3-mercaptopyruvic acid a potential biomarker for the consumption of these foods. 3-mercaptopyruvic acid, also known as beta-mercaptopyruvate or beta-thiopyruvic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-mercaptopyruvic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 3-mercaptopyruvic acid can be found in a number of food items such as garland chrysanthemum, rubus (blackberry, raspberry), tarragon, and arrowhead, which makes 3-mercaptopyruvic acid a potential biomarker for the consumption of these food products. 3-mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. In humans, 3-mercaptopyruvic acid is involved in a couple of metabolic pathways, which include cysteine metabolism and cystinosis, ocular nonnephropathic. 3-mercaptopyruvic acid is also involved in beta-mercaptolactate-cysteine disulfiduria, which is a metabolic disorder. 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. It has been studied as a potential treatment for cyanide poisoning, but its half-life is too short for it to be clinically effective. Instead, prodrugs, such as sulfanegen, are being evaluated to compensate for the short half-life of 3-mercaptopyruvic acid .

   

1,4-Dithiane

Tetrahydro-1,4-dithiin

C4H8S2 (120.0067408)


1,4-Dithiane, also known as p-dithiane or fema 3831, belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. A dithiane that is cyclohexane in which the -CH2- units at positions 1 and 2 have been replaced by sulfur atoms. 1,4-Dithiane is possibly neutral. 1,4-Dithiane is a fishy, garlic, and onion tasting compound. 1,4-Dithiane has been detected, but not quantified, in garden tomato. This could make 1,4-dithiane a potential biomarker for the consumption of these foods. Food additive listed in the EAFUS food additive database (Jan. 2001). Flavouring used in seasonings. 1,4-Dithiane is found in garden tomato.

   

Methyl 2-propenyl disulfide

3-(Methyldisulphanyl)-1-propene

C4H8S2 (120.0067408)


Constituent of the essential oils of Allium subspecies Flavouring ingredient. Methyl 2-propenyl disulfide is found in many foods, some of which are garden onion, allium (onion), chives, and soft-necked garlic. Methyl 2-propenyl disulfide is found in allium (onion). Methyl 2-propenyl disulfide is a constituent of the essential oils of Allium species Methyl 2-propenyl disulfide is a flavouring ingredient.

   

1,3-Dithiane

1,3 Dithiocyclohexane

C4H8S2 (120.0067408)


Constituent of garlic and other Allium subspecies 1,3-Dithiane is found in soft-necked garlic and onion-family vegetables. 1,3-Dithiane is found in onion-family vegetables. 1,3-Dithiane is a constituent of garlic and other Allium species 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

(E)-Methyl 1-propenyl disulfide

(1Z)-1-(Methyldisulphanyl)prop-1-ene

C4H8S2 (120.0067408)


(Z)-Methyl 1-propenyl disulfide is found in onion-family vegetables. (Z)-Methyl 1-propenyl disulfide is a constituent of the essential oils of Allium species. Constituent of the essential oils of Allium subspecies (Z)-Methyl 1-propenyl disulfide is found in onion-family vegetables.

   

Permanganate

Manganic(VII) acid

HMnO4 (119.9255306)


Permanganate is a permanganate is a chemical compound that contains the permanganate ion (MnO4-). Because manganese is in the +7 oxidation state, the permanganate ion is a strong oxidizer. Permanganates are salts of permanganic acid. Permanganate is a strong oxidizer, and similar to perchlorate. Being a strong oxidizer it is in common use in qualitative analysis experiments involving redox reactions (permanganometry). (wikipedia). Various anions interact with human serum transferrin to the concomitant binding of iron and a synergistic anion to form the transferrin-anion-iron complex. In vitro, permanganate was found to partially inactivate transferrin. Transferrin treated with a 3:1 molar ratio of permanganate to active sites lost 74 or 67\\% of its iron-binding capacity, respectively. (PMID: 3028261). In the presence of permanganate, Mn3+ was formed and chelated by transferrin at physiological pH in cows and goats. Manganese in the divalent state, either free as Mn2+ or bound to alpha2-macroglobulin, is removed from blood plasma very efficiently by the liver. However, the manganic-transferrin complex normally found in circulation is not rapidly removed from plasma. The liver can remove large amounts of excess manganous manganese which it presumably excretes; the small essential fraction of the manganese absorbed is oxidized to the trivalent state and bound to transferrin. (PMID 60137). A permanganate is a chemical compound that contains the permanganate ion (MnO4-). Because manganese is in the +7 oxidation state, the permanganate ion is a strong oxidizer. Permanganates are salts of permanganic acid. Permanganate is a strong oxidizer, and similar to perchlorate. Being a strong oxidizer it is in common use in qualitative analysis experiments involving redox reactions (permanganometry). (wikipedia) D009676 - Noxae > D016877 - Oxidants

   

Dichlorodifluoromethane

Dichlorodifluoromethane (NF)

CCl2F2 (119.9345124)


Dichlorodifluoromethane is a direct contact freezing agent for foods. Refrigerant, aerosol propellant Dichlorodifluoromethane (R-12), usually sold under the brand name Freon-12, is a chlorofluorocarbon halomethane (CFC), used as a refrigerant and aerosol spray propellant. Complying with the Montreal Protocol, its manufacture was banned in the United States along with many other countries in 1994 due to concerns about damage to the ozone layer. It is soluble in many organic solvents

   

Ethyl vinyl disulfide

Ethenyl ethyl disulfide, 9ci

C4H8S2 (120.0067408)


Ethyl vinyl disulfide is found in fruits. Ethyl vinyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl vinyl disulfide is found in fruits.

   

2-Methyl-1,3-dithiolane

Acetaldehdye ethylene thioacetal

C4H8S2 (120.0067408)


2-Methyl-1,3-dithiolane is found in animal foods. 2-Methyl-1,3-dithiolane is a maillard product from cysteine and glucose degradation. 2-Methyl-1,3-dithiolane is a flavouring ingredient; present in boiled beef volatile Maillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles. 2-Methyl-1,3-dithiolane is found in animal foods.

   

xi-Tetrahydro-2-thiophenethiol

xi-Tetrahydro-2-thiophenethiol

C4H8S2 (120.0067408)


xi-Tetrahydro-2-thiophenethiol is a component of meat aroma model systems. Component of meat aroma model systems

   

Dithiooxamide

ethanedithioamide

C2H4N2S2 (119.9815904)


   

Pentafluoroethane

1,1,1,2,2-Pentafluoroethane

C2HF5 (119.9998406)


   

Methyl-trans-propenyl disulfide

(1E)-1-(Methyldisulphanyl)prop-1-ene

C4H8S2 (120.0067408)


Methyl-trans-propenyl disulfide is a member of the class of compounds known as organic disulfides. Organic disulfides are organosulfur compounds with the general formula RSSR (R,R = alkyl, aryl). Methyl-trans-propenyl disulfide can be found in garden onion and soft-necked garlic, which makes methyl-trans-propenyl disulfide a potential biomarker for the consumption of these food products.

   

Calcium sulfite

Calcium sulphite

CaO3S (119.919408)


Preservative. Calcium sulfite, or calcium sulphite, is a chemical compound which is the salt of calcium cation and sulfite anion with the molecular formula CaSO3. As a food additive it is used as a preservative under the E number E226. It is commonly used in preserving wine, cider, fruit juice, canned fruit and vegetables. Preservative

   

Magnesium phosphate (Mg(HPO4))

Magnesium phosphate, tribasic, pentahydrate

HMgO4P (119.94629760000001)


It is used in foods as a nutritional source of Mg and P, pH control agent, dietary supplement, flow aid and leavening agent

   

Sodium phosphate (Na(H2PO4))

Anhydrous monobasic sodium phosphoric acid

H2NaO4P (119.9588422)


It is used in foods as a dry acidulant, buffering agent, emulsifier, leavening agent, protein modifier, sequestrant and nutrient supplement C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

Sodium hydrogen sulfate

Sodium sulfate, 35S-labeled CPD

HNaO4S (119.9493266)


Acidity regulator

   

Methyl-trans-propenyl disulfide

(1E)-1-(Methyldisulphanyl)prop-1-ene

C4H8S2 (120.0067408)


Methyl-trans-propenyl disulfide is a member of the class of compounds known as organic disulfides. Organic disulfides are organosulfur compounds with the general formula RSSR (R,R = alkyl, aryl). Methyl-trans-propenyl disulfide can be found in garden onion and soft-necked garlic, which makes methyl-trans-propenyl disulfide a potential biomarker for the consumption of these food products.

   

Trimethylarsine

Trimethylarsine

C3H9As (119.9920174)


   
   

3-mercaptopyruvic acid

3-mercaptopyruvic acid

C3H4O3S (119.9881154)


A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3.

   

Mercaptopyruvate

Mercaptopyruvate

C3H4O3S (119.9881154)


   

magnesium sulfate

Bitter salt;Magnesium sulfate anhydrous;Magnesium sulfate dried;Magnesium sulfate heptahydrate;Magnesium sulphate;Magnesium Sulphate Hydrate

MgO4S (119.936782)


B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XA - Electrolyte solutions A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AD - Osmotically acting laxatives A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CC - Magnesium D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CC - Tests for bile duct patency D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D - Dermatologicals

   

Halon

Dichlorodifluoromethane [R12] [UN1028] [Nonflammable gas]

CCl2F2 (119.9345124)


   

m-Dithiane

1,3 Dithiocyclohexane

C4H8S2 (120.0067408)


1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

Ethyl vinyl disulfide

Ethenyl ethyl disulfide, 9ci

C4H8S2 (120.0067408)


   

FEMA 3705

Acetaldehdye ethylene thioacetal

C4H8S2 (120.0067408)


   

thiolane-2-thiol

xi-Tetrahydro-2-thiophenethiol

C4H8S2 (120.0067408)


   

(E)-Methyl 1-propenyl disulfide

(1Z)-1-(methyldisulfanyl)prop-1-ene

C4H8S2 (120.0067408)


   

Prop-1-ene-1,3-sultone

Prop-1-ene-1,3-sultone

C3H4O3S (119.9881154)


   

DIMETHYLBORON BROMIDE

DIMETHYLBORON BROMIDE

C2H6BBr (119.9745886)


   

Monopotassium phosphite

Monopotassium phosphite

H2KO3P (119.9378652)


   

Moniliformin, sodium salt

Moniliformin, sodium salt

C4HNaO3 (119.9823396)


   
   

5-CHLORO-1,2,3-THIADIAZOLE

5-CHLORO-1,2,3-THIADIAZOLE

C2HClN2S (119.9548976)


   

1,2,4-Dithiazolidine,3-imino-(7CI)

1,2,4-Dithiazolidine,3-imino-(7CI)

C2H4N2S2 (119.9815904)


   

calcium phosphite

calcium phosphite

CaHO3P (119.9289236)


   
   
   

(3-Chloroprop-1-en-1-yl)boronic acid

(3-Chloroprop-1-en-1-yl)boronic acid

C3H6BClO2 (120.01493559999999)


   
   
   

Aluminum Acetate Dibasic

Aluminum Acetate Dibasic

C2H5AlO4 (120.000324)


   

magnesium titanate

magnesium titanate

MgO3Ti (119.917742)


   

2-Chloro-1,3,4-thiadiazole

2-Chloro-1,3,4-thiadiazole

C2HClN2S (119.9548976)


   

Ethyl dithioacetate

Ethyl dithioacetate

C4H8S2 (120.0067408)


   
   

Trifluoromethyl hypochlorite

Trifluoromethyl hypochlorite

CClF3O (119.95897760000001)


   
   

5-Chloro-1,2,4-thiadiazole

5-Chloro-1,2,4-thiadiazole

C2HClN2S (119.9548976)


   
   

Potassium bisulfite

Potassium bisulfite

HKO3S (119.92834959999999)


It is used as a food additive .

   
   

1-bromo-1-propene

1-bromo-1-propene

C3H5Br (119.957459)


   

1,1-BIS(METHYLTHIO)ETHYLENE

1,1-BIS(METHYLTHIO)ETHYLENE

C4H8S2 (120.0067408)


   

1-BROMO-PROPENE

1-BROMO-PROPENE

C3H5Br (119.957459)


   

1-bromopropene

1-bromopropene

C3H5Br (119.957459)


   

Pentafluoroethane

Pentafluoroethane

C2HF5 (119.9998406)


   

allyl bromide

allyl bromide

C3H5Br (119.957459)


   

2-Bromo-1-propene

2-Bromo-1-propene

C3H5Br (119.957459)


   

Cyclopropyl Bromide

Cyclopropyl Bromide

C3H5Br (119.957459)


   
   

Sodiumfluoromethanesulfinate

Sodiumfluoromethanesulfinate

CH2FNaO2S (119.9657244)


   
   
   

Methyl cis-1-propenyl disulfide

Methyl cis-1-propenyl disulfide

C4H8S2 (120.0067408)


   

Calcium sulfite

Calcium sulfite

CaO3S (119.919408)


   
   
   

Hydrogen manganate

Hydrogen manganate

HMnO4- (119.9255306)


   

Monosodium phosphate

Sodium dihydrogen phosphate

H2NaO4P (119.9588422)


C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

AI3-62288

InChI=1\C4H8S2\c1-2-5-4-6-3-1\h1-4H

C4H8S2 (120.0067408)


1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

3-(Methyldisulfanyl)-1-propene

3-(Methyldisulfanyl)-1-propene

C4H8S2 (120.0067408)


   

5905-47-5

Disulfide, methyl 1-propenyl, trans

C4H8S2 (120.0067408)


   

magnesium hydrogen phosphate

magnesium hydrogen phosphate

HMgO4P (119.94629760000001)


   

Sodium bisulfate

Sodium hydrogen sulfate

HNaO4S (119.9493266)


D005765 - Gastrointestinal Agents > D002400 - Cathartics

   

Dimethyldithiocarbamate

Dimethyldithiocarbamate

C3H6NS2- (119.9941656)


   
   
   

(2R)-2-Amino-3-sulfanylpropanoate

(2R)-2-Amino-3-sulfanylpropanoate

C3H6NO2S- (120.01192359999999)


   
   

(2S)-2-Amino-3-mercaptopropanoate

(2S)-2-Amino-3-mercaptopropanoate

C3H6NO2S- (120.01192359999999)


   
   
   
   

Methyl allyl disulfide

ALLYL METHYL DISULFIDE

C4H8S2 (120.0067408)


An organic disulfide having allyl and methyl as the two organic groups.

   

Tartronic acid

Hydroxymalonic acid

C3H4O5 (120.0058734)


A dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2.

   

1,3-Dithiane

1,3-Dithiane

C4H8S2 (120.0067408)


1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].

   

Permanganic acid

Permanganic acid

HMnO4 (119.9255306)


D009676 - Noxae > D016877 - Oxidants

   

L-cysteinyl radical

L-cysteinyl radical

C3H6NO2S (120.01192359999999)


A cysteinyl radical derived from L-cysteine.

   

D-cysteinyl radical

D-cysteinyl radical

C3H6NO2S (120.01192359999999)


A cysteinyl radical derived from D-cysteine.

   

cysteinate(1-)

cysteinate(1-)

C3H6NO2S (120.01192359999999)


A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.

   

L-cysteinate(1-)

L-cysteinate(1-)

C3H6NO2S (120.01192359999999)


The L-enantiomer of cysteinate(1-).

   

D-cysteinate(1-)

D-cysteinate(1-)

C3H6NO2S (120.01192359999999)


The D-enantiomer of cysteinate(1-).

   

Trimethylarsane

Trimethylarsane

C3H9As (119.9920174)