Exact Mass: 113.9985

Exact Mass Matches: 113.9985

Found 36 metabolites which its exact mass value is equals to given mass value 113.9985, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Acetylenedicarboxylic acid

2-Butynedioic acid, potassium salt

C4H2O4 (113.9953)


KEIO_ID A128

   

Parabanic Acid

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

C3H2N2O3 (114.0065)


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

   

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)


   

Fluoro 2,2-difluoroacetate

2,2-difluoroethanecarboperoxoyl fluoride

C2HF3O2 (113.9929)


   

Squaric acid

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

C4H2O4 (113.9953)


   

Pleurone

Pleurone

C4H2O4 (113.9953)


   

Acetylenedicarboxylic acid

Acetylenedicarboxylic acid

C4H2O4 (113.9953)


   

Parabanic acid

2,4,5-Imidazolidinetrione

C3H2N2O3 (114.0065)


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

   

Trifluoressigsaure

Trifluoroacetic acid (acd/name 4.0)

C2HF3O2 (113.9929)


   

3-Chloropyridazine

3-Chloropyridazine

C4H3ClN2 (113.9985)


   

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

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

C3H2N2O3 (114.0065)


   

4-Chloropyrimidine

4-Chloropyrimidine

C4H3ClN2 (113.9985)


   

1,2,3-THIADIAZOLE-4-CARBALDEHYDE

1,2,3-THIADIAZOLE-4-CARBALDEHYDE

C3H2N2OS (113.9888)


   

Trimethyl-Gallium

Trimethyl-Gallium

C3H9Ga (113.996)


   

2-Chloro-1,3-difluoropropane

2-Chloro-1,3-difluoropropane

C3H5ClF2 (114.0048)


   

5-Chloropyrimidine

5-Chloropyrimidine

C4H3ClN2 (113.9985)


   

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

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

C3H2N2O3 (114.0065)


   

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)


   

Chlorodifluoropropane

Chlorodifluoropropane

C3H5ClF2 (114.0048)


   

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.

   

4-Nitroisoxazole

4-Nitroisoxazole

C3H2N2O3 (114.0065)


   

1,3-dichloropropene-d4

1,3-dichloropropene-d4

C3Cl2D4 (113.9941)


   

1-chloro-2,2-difluoropropane

1-chloro-2,2-difluoropropane

C3H5ClF2 (114.0048)


   

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

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

C3H2N2O3 (114.0065)


   

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

   

Trifluoroacetic acid-d

Trifluoroacetic acid-d

C2HF3O2 (113.9929)


   

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)


   

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-)

   

1,3-dioxine-2,4-dione

1,3-dioxine-2,4-dione

C4H2O4 (113.9953)