Exact Mass: 113.9542

Exact Mass Matches: 113.9542

Found 56 metabolites which its exact mass value is equals to given mass value 113.9542, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Acetylenedicarboxylic acid

2-Butynedioic acid, potassium salt

C4H2O4 (113.9953)


KEIO_ID A128

   

BIS(CHLOROMETHYL) ETHER

BIS(CHLOROMETHYL) ETHER

C2H4Cl2O (113.9639)


   

1,2-dichloroethanol

Ethanol, 1,2-dichloro-

C2H4Cl2O (113.9639)


   

Thiosulfate

Hydroxidodioxidosulphidosulphuric acid

H2O3S2 (113.9445)


Thiosulfate occurs naturally in hot springs and geysers, and is produced by certain biochemical processes. In the body, thiosulfate converts small amounts of cyanide ion into harmless products and plays a role in the biosynthesis of cysteine, a sulfur-containing amino acid that locks proteins into their correct three-dimensional shapes. Thiosulfate is not found in large quantities in nature. Solutions of thiosulfate break down into sulfur, sulfites, and sulfates when exposed to acids, light, metal ions, and bacteria. Thiosulfate is sometimes used as an antidote for cyanide poisoning. It reacts with cyanide to produce sulfite and thiocyanate ions: CN- + S2O32- SCN- + SO32- This reaction is catalyzed by an enzyme produced by cell mitochondria to neutralize small quantities of ingested cyanide (which occurs naturally in cassava root, lima beans, and almonds!). Thiosulfate is an intermediate in several biochemical pathways, including the synthesis of L-cysteine. Thiosulfate is manufactured by some cells by oxidation of elemental sulfur and by degradation of L-cysteine. Use: Photography (fixing agent to dissolve unchanged silver salts from exposed negatives), chrome tanning, removing chlorine in bleaching and papermaking, extraction of silver from its ores, dechlorination of water, mordant, reagent, bleaching, reducing agent in chrome dyeing, sequestrant in salt (up to 0.1\\%), antidote for cyanide poisoning. (Hawleys Condensed Chemical Dictionary) Source/Synthesis: Synthesis by dehydration of the pentahydrate at 105 degree. Alternatively formed by reaction of S2Cl2 with Na2O2 or by reduction of Na2S2O4 with sodium amalgam Use/Importance: Commercially available Biological Use/Importance: Cyanide antidote often administered with other antidotes, antifungal agent (ChemNetBase) Sodium thiosulfate is a common analytical reagent used in iodometric titration to analyze chlorine, bromine, and sulfide. Other uses are in bleaching paper pulp, bleaching straw, ivory, and bones, for removing chlorine from solutions, silver extraction from its ores, a mordant in dyeing and printing textiles, and as an antidote to cyanide poisoning. Another major application is in photography, where it is used as a fixer to dissolve unchanged silver salts from exposed negatives. (Handbook of Inorganic Chemicals).

   

Trifluoroacetic acid

Trifluoroacetic acid (acd/name 4.0)

C2HF3O2 (113.9929)


At a low concentration, trifluoroacetic acid (TFA) is used as an ion pairing agent in liquid chromatography (HPLC) of organic compounds, particularly peptides and small proteins. TFA is a versatile solvent for NMR spectroscopy (for materials stable in acid). It is also used as a calibrant in mass spectrometry. TFA is the precursor to many other fluorinated compounds such as trifluoroacetic anhydride and 2,2,2-trifluoroethanol. It is a reagent used in organic synthesis because of a combination of convenient properties: volatility, solubility in organic solvents, and its strength as an acid. TFA is also less oxidizing than sulfuric acid but more readily available in anhydrous form than many other acids. One complication to its use is that TFA forms an azeotrope with water (b. p. 105°C). TFA is the simplest stable perfluorinated carboxylic acid chemical compound, with the formula CF3CO2H. It is a strong carboxylic acid due to the influence of the electronegative trifluoromethyl group. TFA is almost 100,000-fold more acidic than acetic acid. TFA is widely used in organic chemistry. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Chloropyrazine

2-Chloropyrazine

C4H3ClN2 (113.9985)


   

2,2-Dichloroethanol

2,2-dichloroethan-1-ol

C2H4Cl2O (113.9639)


   

Phosphorothioic acid

Thiophosphoric O,O,O-acid

H3O3PS (113.9541)


   

Fluoro 2,2-difluoroacetate

2,2-difluoroethanecarboperoxoyl fluoride

C2HF3O2 (113.9929)


   

Squaric acid

Squaric acid, nickel (+2), (1:1) salt dihydrate

C4H2O4 (113.9953)


   

Thiosulfuric acid

Thiosulfuric acid

H2O3S2 (113.9445)


   

Pleurone

Pleurone

C4H2O4 (113.9953)


   

Acetylenedicarboxylic acid

Acetylenedicarboxylic acid

C4H2O4 (113.9953)


   

Thiosulfate

Thiosulfate

H2O3S2 (113.9445)


   

Hydroxidodioxidosulfidosulfate

Hydroxidodioxidosulfidosulfate

H2O3S2 (113.9445)


   

Dichloroethanol

2,2-DICHLOROETHANOL

C2H4Cl2O (113.9639)


   

Thiosulfic acid

Thiosulfic acid

H2O3S2 (113.9445)


   

Trifluoressigsaure

Trifluoroacetic acid (acd/name 4.0)

C2HF3O2 (113.9929)


   

Dichloromethyl methyl ether

Dichloromethyl methyl ether

C2H4Cl2O (113.9639)


   

Chloroformamidine hydrochloride

Chloroformamidine hydrochloride

CH4Cl2N2 (113.9752)


   

3-Chloropyridazine

3-Chloropyridazine

C4H3ClN2 (113.9985)


   

Sodium thioglycolate

Sodium thioglycollate

C2H3NaO2S (113.9751)


   

(Z)-1,2-Dichloro-1-fluoroethene

(Z)-1,2-Dichloro-1-fluoroethene

C2HCl2F (113.9439)


   

4-Chloropyrimidine

4-Chloropyrimidine

C4H3ClN2 (113.9985)


   

methylzinc chloride

methylzinc chloride

CH3ClZn (113.9215)


   

1,2,3-THIADIAZOLE-4-CARBALDEHYDE

1,2,3-THIADIAZOLE-4-CARBALDEHYDE

C3H2N2OS (113.9888)


   

methyl dichlorosilane

methyl dichlorosilane

CH4Cl2Si (113.9459)


   

2,2-Difluoroacetyl chloride

2,2-Difluoroacetyl chloride

C2HClF2O (113.9684)


   

potassium hydroxyacetate

potassium hydroxyacetate

C2H3KO3 (113.9719)


   

Trimethyl-Gallium

Trimethyl-Gallium

C3H9Ga (113.996)


   

5-Chloropyrimidine

5-Chloropyrimidine

C4H3ClN2 (113.9985)


   

Bis(6-methylheptyl) 2-butenedioate

Bis(6-methylheptyl) 2-butenedioate

C4H2O4 (113.9953)


   

4-Chloropyridazine

4-Chloropyridazine

C4H3ClN2 (113.9985)


   

chloropyrimidine

chloropyrimidine

C4H3ClN2 (113.9985)


   

Methanesulfonyl chloride

Methanesulfonyl chloride

CH3ClO2S (113.9542)


   

Squaric acid

3,4-Dihydroxy-3-cyclobutene-1,2-dione

C4H2O4 (113.9953)


A carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4.

   

Magnesium oxalate

Magnesium oxalate

C2H2MgO4++ (113.9804)


   

dichloromethylsilane

dichloromethylsilane

CH4Cl2Si (113.9459)


   

1,3-dichloropropene-d4

1,3-dichloropropene-d4

C3Cl2D4 (113.9941)


   

METHYL FLUOROSULFONATE

METHYL FLUOROSULFONATE

CH3FO3S (113.9787)


   

Thiophosgene

Thiophosgene

CCl2S (113.9098)


   

fumarate

fumarate

C4H2O4-2 (113.9953)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

maleate

maleate

C4H2O4-2 (113.9953)


D004791 - Enzyme Inhibitors

   

Phosphorothioic acid

Phosphorothioic acid

H3O3PS (113.9541)


   

Peroxymonosulfuric acid

Peroxymonosulfuric acid

H2O5S (113.9623)


   

Peroxyphosphoric acid

Peroxyphosphoric acid

H3O5P (113.9718)


   

Trifluoroacetic acid-d

Trifluoroacetic acid-d

C2HF3O2 (113.9929)


   

Seleninic acid

Seleninic acid

H2O2Se (113.922)


   

2-Butynedioic acid

Acetylenedicarboxylic acid

C4H2O4 (113.9953)


   

Trifluoroacetic acid

Trifluoroacetic acid

C2HF3O2 (113.9929)


A monocarboxylic acid that is the trifluoro derivative of acetic acid. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Chloropyrazine

2-Chloropyrazine

C4H3ClN2 (113.9985)


   

sulfurothioic S-acid

sulfurothioic S-acid

H2O3S2 (113.9445)


   

fumarate(2-)

fumarate(2-)

C4H2O4 (113.9953)


A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)

   

maleate(2-)

maleate(2-)

C4H2O4 (113.9953)


A C4-dicarboxylate that is the Z-isomer of but-2-enedioate(2-)

   

sulfurothioic O-acid

sulfurothioic O-acid

H2O3S2 (113.9445)


   

1,3-dioxine-2,4-dione

1,3-dioxine-2,4-dione

C4H2O4 (113.9953)