Exact Mass: 113.97181180000001

Exact Mass Matches: 113.97181180000001

Found 93 metabolites which its exact mass value is equals to given mass value 113.97181180000001, 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 (113.99530920000001)


KEIO_ID A128

   

amine sulfamate

Ammonium sulfamate

H6N2O3S (114.0099126)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   
   
   

Thiosulfate

Hydroxidodioxidosulphidosulphuric acid

H2O3S2 (113.94453820000001)


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).

   

Parabanic Acid

4-hydroxy-2,5-dihydro-1H-imidazole-2,5-dione

C3H2N2O3 (114.0065422)


Parabanic Acid, also known as Parabanate or 2,4,5-Imidazolidinetrione, is classified as a member of the Imidazolinones. Imidazolinones are organic compounds containing an imidazolinone moiety, which is an imidazoline ring bearing a ketone. Parabanic Acid is considered to be soluble (in water) and acidic. Parabanic Acid can be synthesized from imidazolidine. Parabanic Acid can be synthesized into 1-(2-phenylethyl)imidazolidine-2,4,5-trione

   

2-Furanmethanethiol

(2-Furanyl)methylmercaptan

C5H6OS (114.0139346)


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

   

Trifluoroacetic acid

Trifluoroacetic acid (acd/name 4.0)

C2HF3O2 (113.9928642)


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-Thiophenemethanol

2-(Hydroxymethyl)-thiophene

C5H6OS (114.0139346)


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 (114.0139346)


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 (114.0139346)


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 (114.0139346)


3-Thiophenemethanol is a maillard product. Maillard product

   
   
   

Phosphorothioic acid

Thiophosphoric O,O,O-acid

H3O3PS (113.9540538)


   

Fluoro 2,2-difluoroacetate

2,2-difluoroethanecarboperoxoyl fluoride

C2HF3O2 (113.9928642)


   

Squaric acid

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

C4H2O4 (113.99530920000001)


   
   
   
   

Parabanic acid

2,4,5-Imidazolidinetrione

C3H2N2O3 (114.0065422)


An imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5.

   
   

Hydroxidodioxidosulfidosulfate

Hydroxidodioxidosulfidosulfate

H2O3S2 (113.94453820000001)


   
   
   

Trifluoressigsaure

Trifluoroacetic acid (acd/name 4.0)

C2HF3O2 (113.9928642)


   

Furfuryl thiol

(2-Furanyl)methylmercaptan

C5H6OS (114.0139346)


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

   

Thenyl alcohol

2-(Hydroxymethyl)-thiophene

C5H6OS (114.0139346)


   

FEMA 3188

2-Methyl-3-furylmercaptan

C5H6OS (114.0139346)


   

5-methylfuran-3-thiol

4-mercapto-2-Methylfuran

C5H6OS (114.0139346)


   

3-Thienylmethanol

3-Hydroxymethylthiophene

C5H6OS (114.0139346)


   
   

3-Nitro-1,2,4-triazole

3-Nitro-1,2,4-triazole

C2H2N4O2 (114.0177752)


   

Chloroformamidine hydrochloride

Chloroformamidine hydrochloride

CH4Cl2N2 (113.9751524)


   

2-Methoxythiophene

2-Methoxythiophene

C5H6OS (114.0139346)


   

2,5-dihydrothiophene-3-carbaldehyde

2,5-dihydrothiophene-3-carbaldehyde

C5H6OS (114.0139346)


   

1,3,3,3-tetrafluoroprop-1-ene

1,3,3,3-tetrafluoroprop-1-ene

C3H2F4 (114.00926199999999)


   

1,1,3,3-tetrafluoroprop-1-ene

1,1,3,3-tetrafluoroprop-1-ene

C3H2F4 (114.00926199999999)


   

3-Chloropyridazine

3-Chloropyridazine

C4H3ClN2 (113.9984748)


   

1,​2,​4-​Oxadiazole-​3-​carboxylic acid

1,​2,​4-​Oxadiazole-​3-​carboxylic acid

C3H2N2O3 (114.0065422)


   
   

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

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

C2HCl2F (113.94393380000001)


   

4-Chloropyrimidine

4-Chloropyrimidine

C4H3ClN2 (113.9984748)


   

2-butenylmagnesium chloride

2-butenylmagnesium chloride

C4H7ClMg (114.0086752)


   

1,2,3-THIADIAZOLE-4-CARBALDEHYDE

1,2,3-THIADIAZOLE-4-CARBALDEHYDE

C3H2N2OS (113.9887842)


   

methyl dichlorosilane

methyl dichlorosilane

CH4Cl2Si (113.9459324)


   

2,2-Difluoroacetyl chloride

2,2-Difluoroacetyl chloride

C2HClF2O (113.968399)


   

potassium hydroxyacetate

potassium hydroxyacetate

C2H3KO3 (113.9719268)


   

Trimethyl-Gallium

Trimethyl-Gallium

C3H9Ga (113.9960024)


   
   
   

5-Chloropyrimidine

5-Chloropyrimidine

C4H3ClN2 (113.9984748)


   

2-chloroethyl-d4 methyl sulfide

2-chloroethyl-d4 methyl sulfide

C3H3ClD4S (114.020805912)


   

1,2,5-oxadiazole-3-carboxylic acid

1,2,5-oxadiazole-3-carboxylic acid

C3H2N2O3 (114.0065422)


   

Bis(6-methylheptyl) 2-butenedioate

Bis(6-methylheptyl) 2-butenedioate

C4H2O4 (113.99530920000001)


   

1-METHYL-2-PROPENYLMAGNESIUM CHLORIDE

1-METHYL-2-PROPENYLMAGNESIUM CHLORIDE

C4H7ClMg (114.0086752)


   

4-Chloropyridazine

4-Chloropyridazine

C4H3ClN2 (113.9984748)


   

2-Methylallylmagnesium chloride solution

2-Methylallylmagnesium chloride solution

C4H7ClMg (114.0086752)


   
   

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

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

C2H2N4O2 (114.0177752)


   
   
   

Methanesulfonyl chloride

Methanesulfonyl chloride

CH3ClO2S (113.9542288)


   

Squaric acid

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

C4H2O4 (113.99530920000001)


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

   
   
   

3-Methoxythiophene

3-Methoxythiophene

C5H6OS (114.0139346)


   

dichloromethylsilane

dichloromethylsilane

CH4Cl2Si (113.9459324)


   
   
   

1,3,4-oxadiazole-2-carboxylic acid

1,3,4-oxadiazole-2-carboxylic acid

C3H2N2O3 (114.0065422)


   
   

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

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

C2H2N4O2 (114.0177752)


   

fumarate

fumarate

C4H2O4-2 (113.99530920000001)


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

   

maleate

maleate

C4H2O4-2 (113.99530920000001)


D004791 - Enzyme Inhibitors

   

Phosphorothioic acid

Phosphorothioic acid

H3O3PS (113.9540538)


   

Peroxymonosulfuric acid

Peroxymonosulfuric acid

H2O5S (113.9622962)


   
   

Maleamate

Maleamate

C4H4NO3- (114.0191174)


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

   

Fumaric acid amide

Fumaric acid amide

C4H4NO3- (114.0191174)


   

Trifluoroacetic acid-d

Trifluoroacetic acid-d

C2HF3O2 (113.9928642)


   
   

2-Butynedioic acid

Acetylenedicarboxylic acid

C4H2O4 (113.99530920000001)


   

Furfuryl mercaptan

Furan-2-yl-methanethiol

C5H6OS (114.0139346)


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

   

Trifluoroacetic acid

Trifluoroacetic acid

C2HF3O2 (113.9928642)


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-Methyl-3-furanthiol

2-Methyl-3-furanthiol

C5H6OS (114.0139346)


   
   
   

fumarate(2-)

fumarate(2-)

C4H2O4 (113.99530920000001)


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

   

maleate(2-)

maleate(2-)

C4H2O4 (113.99530920000001)


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

   
   

Furanmethanethiol

Furanmethanethiol

C5H6OS (114.0139346)