Exact Mass: 111.96471

Exact Mass Matches: 111.96471

Found 81 metabolites which its exact mass value is equals to given mass value 111.96471, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Methyl sulfate

Methyl hydrogen sulphuric acid

CH4O4S (111.9830304)


KEIO_ID M062

   

Hydroxymethylphosphonate

(Hydroxymethyl)phosphonic acid

CH5O4P (111.992546)


   

Chlorobenzene

Chlorobenzene (acd/name 4.0)

C6H5Cl (112.00797600000001)


Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. This colorless, flammable liquid is a common solvent and a widely used intermediate in the manufacture of other chemicals. Rhodococcus phenolicus is a bacterium species able to degrade chlorobenzene as sole carbon sources.

   

1,1-Dichloroethylene epoxide

1,1-Dichloroethylene epoxide

C2H2Cl2O (111.94827020000001)


1,1-Dichloroethylene epoxide, also known as DCE epoxide is a compound belonging to the family of compounds known as orthocarboxylic acid derivatives. These are organic compounds containing the orhtocarboxylic acid functional group, with the RC(X)(X)X (R=H, alkyl,aryl; X=OH,alkoxy,aryloxy, (substituted amino), etc. (PMID: 16098521). Epoxides are compounds containing a cyclic ether with three ring atoms (one oxygen and two carbon atoms). DCE epoxide is a urinary metabolite of 1,1-Dichloroethene (DCE), or vinylidine chloride (PMID: 15319346, 11270662). DCE is mainly used as a comonomer in the production and polymerization of plastics such as polyvinyl chloride, acrylonitrile, and acrylates. As a result, DCE is widely distributed in the environment and in plastics. DCE was the precursor to the original form of saran-wrap or cling-wrap (clear plastic wrap used to preserve foods), but this has been phased out due to concerns over the carcinogenicity of DCE.

   

2,2-Dichloroacetaldehyde

α,α-dichloroacetaldehyde

C2H2Cl2O (111.94827020000001)


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.

   

Chloroacetyl chloride

Monochloroacetyl chloride

C2H2Cl2O (111.94827020000001)


Chloroacetyl chloride is a chlorinated acyl chloride. It is a bifunctional compound, making it a useful building block chemical. (Wikipedia)

   

1,2-Dichloropropane

Propylene dichloride

C3H6Cl2 (111.9846536)


   

2-Thiophenecarboxaldehyde

1H-PYRROLE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-[TRIS(1-METHYLETHYL)SILYL]-

C5H4OS (111.9982854)


Formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde. Thiophene-2-carbaldehyde is a natural product found in Coffea arabica, Sergia lucens, and Capparis spinosa with data available. An aldehyde that is thiophene substituted by a formyl group at position 2. 2-Thiophenecarboxaldehyde is a flavour ingredien COVID info from PDB, Protein Data Bank Flavour ingredient Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Thiophenecarboxaldehyde is an endogenous metabolite.

   

Methylphosphate

Monomethyl dihydrogen phosphoric acid

CH5O4P (111.992546)


Methylphosphate, also known as monomethyl phosphate or MMP, belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Methylphosphate is a moderately acidic compound (based on its pKa). Methylphosphate is a methyl ester of phosphoric acid. It is a colourless, nonvolatile liquid, and it has some specialized uses in the production of other compounds.

   

Methanethiosulfonate

1-Hydroxy-1-methyl-1λ⁶-disulphen-1-one

CH4O2S2 (111.9652724)


   

Methylphosphonothiolate

Methylphosphonothiolic acid

CH5O2PS (111.974788)


   

Thiophen-3-carboxyaldehyde

Thiophen-3-carboxyaldehyde

C5H4OS (111.9982854)


Thiophen-3-carboxyaldehyde is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. Thiophen-3-carboxyaldehyde is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Thiophen-3-carboxyaldehyde can be found in kohlrabi, which makes thiophen-3-carboxyaldehyde a potential biomarker for the consumption of this food product.

   

Magnesium oxalate

Oxalate, monohydrogen monopotassium

C2MgO4 (111.96471)


Magnesium oxalate, also known as magnesium oxalic acid or dipotassium oxalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Magnesium oxalate is soluble (in water) and a moderately acidic compound (based on its pKa). Magnesium oxalate can be found in garden rhubarb, which makes magnesium oxalate a potential biomarker for the consumption of this food product. Magnesium oxalate is an inorganic compound comprising a magnesium cation with a 2+ charge bonded to an oxalate anion. It has the chemical formula MgC2O4. Magnesium oxalate is a white solid that comes in two forms: an anhydrous form and a dihydrate form where two water molecules are complexed with the structure. Both forms are practically insoluble in water and are insoluble in organic solutions .

   

Potassium propionate

PROPIONIC ACID POTASSIUM SALT

C3H5KO2 (111.992661)


Antimicrobial agent

   

Sodium lactate

2-Hydroxypropanoic acid, monosodium salt

C3H5NaO3 (112.01363800000001)


Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses. Sodium lactate is the sodium salt of lactic acid produced by fermentation of a sugar source, such as corn or beets. As a food additive, sodium lactate has the E number E325 and naturally is a Liquid product, but also is available in powder form. Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses

   

Hydroxymethylphosphonic acid

(Hydroxymethyl)phosphonic acid

CH5O4P (111.992546)


   
   

Methanethiosulfonate

Methanethiosulfonate

CH4O2S2 (111.9652724)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

Hydroxymethanesulfonic acid

Hydroxymethanesulfonic acid

CH4O4S (111.9830304)


   

&alpha

alpha-Thiophenecarboxaldehyde

C5H4OS (111.9982854)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Thiophenecarboxaldehyde is an endogenous metabolite.

   

methylaluminium dichloride

methylaluminium dichloride

CH3AlCl2 (111.9427208)


   
   
   

Bromofluoromethane

Bromofluoromethane

CH2BrF (111.9323884)


   
   

sodium,(2R)-2-hydroxypropanoate

sodium,(2R)-2-hydroxypropanoate

C3H5NaO3 (112.01363800000001)


   
   
   

arsenic (ii) sulfide

arsenic (ii) sulfide

AsH5S (111.932791)


   
   

Hydrazinium bromide

Hydrazinium bromide

BrH5N2 (111.963607)


   

Sodium lactate

Sodium L-lactate-1-13C solution

C3H5NaO3 (112.01363800000001)


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

   
   

1-bromo-1,1,2,2-tetradeuterioethane

1-bromo-1,1,2,2-tetradeuterioethane

C2HBrD4 (111.982567712)


   
   

[chloro(methyl)phosphoryl]methane

[chloro(methyl)phosphoryl]methane

C2H6ClOP (111.98447860000002)


   

Sodium D-lactate

Sodium D-lactate

C3H5NaO3 (112.01363800000001)


D-(-)-Lactic acid ((R)-2-Hydroxypropionic acid ) sodium is an endogenous metabolite.

   
   

pyrimidinethione

2-Pyrimidinethiol (9CI)

C4H4N2S (112.00951839999999)


   
   

2-(cyanomethylsulfanyl)acetonitrile

2-(cyanomethylsulfanyl)acetonitrile

C4H4N2S (112.00951839999999)


   
   

manganese(iii) fluoride

manganese(iii) fluoride

F3Mn (111.9332556)


   

1,3-Dichloropropane

1,3-Dichloropropane

C3H6Cl2 (111.9846536)


   

METHYL PHOSPHATE

METHYL PHOSPHATE

CH5O4P (111.992546)


   

2,2-DICHLOROPROPANE

2,2-DICHLOROPROPANE

C3H6Cl2 (111.9846536)


   
   

1,1-dichloropropane

1,1-dichloropropane

C3H6Cl2 (111.9846536)


   
   
   

1,1,1-TRIFLUORO-2,3-EPOXYPROPANE

1,1,1-TRIFLUORO-2,3-EPOXYPROPANE

C3H3F3O (112.01359839999999)


   

Acetylenedicarboxylate

Acetylenedicarboxylate

C4O4-2 (111.97966)


   

Methaneselenenic acid

Methaneselenenic acid

CH4OSe (111.9427344)


   

Sodium methoxyacetate

Sodium methoxyacetate

C3H5NaO3 (112.01363800000001)


An organic sodium salt comprising equal numbers of sodium and methoxyacetate ions.

   

Bromous acid

Bromous acid

BrHO2 (111.9159906)


   

Peroxymonosulfate

Peroxymonosulfate

O5S-2 (111.946647)


D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides

   
   

Magnesium chloride, monohydrate

Magnesium chloride, monohydrate

Cl2H2MgO (111.93332020000001)


   

1,2-Dichloro-propane

1,2-Dichloro-propane

C3H6Cl2 (111.9846536)


   

2-Thiophenecarboxaldehyde

Thiophen-2-carboxyaldehyde

C5H4OS (111.9982854)


2-thiophenecarboxaldehyde, also known as alpha-formylthiophene or 2-thienylaldehyde, is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-thiophenecarboxaldehyde is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-thiophenecarboxaldehyde has a sulfurous taste. 2-thiophenecarboxaldehyde exists in all eukaryotes, ranging from yeast to humans. 2-Thiophenecarboxaldehyde is an endogenous metabolite.

   

Phosphorothiolate

Phosphorothiolate

HO3PS-2 (111.9384046)


   

Potassium propionate

PROPIONIC ACID POTASSIUM SALT

C3H5KO2 (111.992661)


   

Magnesium oxalate

Magnesium oxalate

C2MgO4 (111.96471)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019163 - Reducing Agents

   

Thiosulfate ion

Thiosulfate ion

O3S2-2 (111.928889)


   

(S)-1,2-Dichloropropane

(S)-1,2-Dichloropropane

C3H6Cl2 (111.9846536)


   

trioxidosulfidosulfate(S--S)(.1-)

trioxidosulfidosulfate(S--S)(.1-)

O3S2- (111.928889)


   
   

1,2-DICHLOROPROPANE

1,2-DICHLOROPROPANE

C3H6Cl2 (111.9846536)


   

Methyl sulfate

Methyl sulfate

CH4O4S (111.9830304)


An alkyl sulfate that is the monomethyl ester of sulfuric acid.

   

(Hydroxymethyl)phosphonic acid

(Hydroxymethyl)phosphonic acid

CH5O4P (111.992546)


   

Methyl dihydrogen phosphate

Methyl dihydrogen phosphate

CH5O4P (111.992546)


A monoalkyl phosphate having methyl as the alkyl group.

   

thiophosphate(2-)

thiophosphate(2-)

HO3PS (111.9384046)


A phosphorus oxoanion obtained by selective deprotonation of two of the three phosphate OH groups of thiophosphoric acid.

   
   
   

3-formylthiophene

3-formylthiophene

C5H4OS (111.9982854)


An aldehyde that is thiophene substituted by a formyl group at position 3.

   

2,2-Dichlorooxirane

1,1-Dichloroethylene epoxide

C2H2Cl2O (111.94827020000001)


   

Methylphosphonothiolate

Methylphosphonothiolate

CH5O2PS (111.974788)


   

thiosulfate(2-)

thiosulfate(2-)

O3S2 (111.928889)


A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.

   

methylselenenic acid

methylselenenic acid

CH4OSe (111.9427344)


An organoselenium compound comprising a methyl and hydroxy group covalently bound to a selenium atom.

   

Squarate

Squarate

C4O4 (111.97966)


A carbon oxoanion which is the dianion obtained by the deprotonation of the hydroxy group of hydrogensquarate.

   

Methanolphosphate

Methanolphosphate

CH5O4P (111.992546)