Exact Mass: 81.9985546

Exact Mass Matches: 81.9985546

Found 69 metabolites which its exact mass value is equals to given mass value 81.9985546, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sulfite

Sulfuric(IV) acid (H2SO3)

H2O3S (81.9724662)


Endogenous sulfite is generated as a consequence of the bodys normal processing of sulfur-containing amino acids. Sulfites occur as a consequence of fermentation and also occur naturally in a number of foods and beverages. As food additives, sulfiting agents were first used in 1664 and have been approved in the United States since the 1800s. Sulfite is an allergen, a neurotoxin, and a metabotoxin. An allergen is a compound that causes allergic reactions such as wheezing, rash, or rhinitis. A neurotoxin is a substance that causes damage to nerves or brain tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. As an allergen, sulfite is known to induce asthmatic reactions. Sulfite sensitivity occurs most often in asthmatic adults (predominantly women), but it is also occasionally reported in preschool children. Adverse reactions to sulfites in nonasthmatics are extremely rare. Asthmatics who are steroid-dependent or who have a higher degree of airway hyperreactivity may be at greater risk of experiencing a reaction to sulfite-containing foods. Sulfite sensitivity reactions vary widely, ranging from no reaction to severe. The majority of reactions are mild. These manifestations may include dermatologic, respiratory, or gastrointestinal signs and symptoms. The precise mechanisms of the sensitivity responses have not been completely elucidated: inhalation of sulfur dioxide (SO2) generated in the stomach following ingestion of sulfite-containing foods or beverages, a deficiency in a mitochondrial enzyme, and an IgE-mediated immune response have all been implicated. Exogenously supplied sulfite is detoxified by the enzyme sulfite oxidase. Sulfite oxidase (EC 1.8.3.1) is 1 of 3 enzymes in humans that require molybdenum as a cofactor. Under certain circumstances, chronically high levels of sulfite can lead to serious neurotoxicity. Sulfite oxidase deficiency (also called molybdenum cofactor deficiency) is a rare autosomal inherited disease that is typified by high concentrations of sulfite in the blood and urine. It is characterized by severe neurological symptoms such as untreatable seizures, attenuated growth of the brain, and mental retardation. It results from defects in the enzyme sulfite oxidase, which is responsible for the oxidation of sulfite to sulfate. This sulfite to sulfate reaction is the final step in the degradation of sulfur-containing metabolites (including the amino acids cysteine and methionine). The term "isolated sulfite oxidase deficiency" is used to define the deficiency caused by mutations in the sulfite oxidase gene. This differentiates it from another version of sulfite oxidase deficiency that is due to defects in the molybdenum cofactor biosynthetic pathway (with mutations in the MOCS1 or MOCS2 genes). Isolated sulfite oxidase deficiency is a rare but devastating neurologic disease that usually presents in early infancy with seizures and alterations in muscle tone (PMID: 16234925, 16140720, 8586770). Sulfite oxidase deficiency (as caused by MOCS1 or MOCS2) may be treated with cPMP, a precursor of the molybdenum cofactor (PMID: 20385644). The mechanism behind sulfite neurotoxicity appears to be related to its ability to bind and inhibit glutamate dehydrogenase (GDH). Inhibition of GDH leads to a decrease in alpha-ketoglutarate and a diminished flux through the tricarboxylic acid cycle. This is accompanied by a decrease in NADH through the mitochondrial electron transport chain, which leads to a decrease in mitochondrial membrane potential and in ATP synthesis. Since glutamate is a major metabolite in the brain, inhibition of GDH by sulfite appears to contribute to neural damage characteristic of sulfite oxidase deficiency in human infants (PMID: 15273247). The hydrogen sulfite, or bisulfite, ion is the ion HSO3-. It is the conjugate base of sulfurous acid, H2SO3. Bisulfite has long been recognized as a reagent to react with organic compound... Food additive listed on the EAFUS Food Additive Database (Jan. 2001)

   

2-Methylfuran

2-Methylfuran (acd/name 4.0)

C5H6O (82.0418626)


2-Methylfuran is a flammable, water-soluble liquid with a chocolate odor, found naturally in Myrtle and Dutch Lavender used as a FEMA GRAS (Generally Recognized As Safe) flavoring substance, with the potential for use in alternative fuels. Maillard product

   

Phosphite

Dihydroxyphosphine oxide

H3O3P (81.9819818)


The phosphite ion (PO3) is a polyatomic ion with a phosphorus central atom. Its geometry is tetrahedral. Many phosphite salts, such as ammonium phosphite, are highly water soluble. Also organophosphorus compounds with the formula P(OR)3. The conjugate acid of the phosphite anion is phosphorous acid (H3PO3). Other names for this acid are orthophosphorous acid and dihydroxyphosphine oxide. H3PO3 is also sometimes referred to as phosphorus trihydroxide and trihydroxyphosphine, though these names are misleading. Phosphorous acid is a diprotic acid, since the hydrogen bonded directly to the central phosphorus atom is not ionizable. Thus, a more logical chemical formula for phosphorous acid is HPO(OH)2, since three hydroxy groups are not actually present on the acid. The acid can be synthesized hy treatment of a carboxylic acid, alcohol, or most practically water, with phosphorus tribromide or more commonly phosphorus trichloride.

   

2,4-Pentadienal

(2Z)-penta-2,4-dienal

C5H6O (82.0418626)


2,4-Pentadienal is a flavouring ingredien Flavouring ingredient

   

1,2,3,4-Tetrazine

1,2,3,4-Tetrazine

C2H2N4 (82.0279452)


   

1,4-Pentadien-3-one

1,4-Pentadien-3-one

C5H6O (82.0418626)


   

2-Cyclopenten-1-one

cyclopent-2-en-1-one

C5H6O (82.0418626)


D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

2H-Imidazol-2-one

2H-Imidazol-2-one

C3H2N2O (82.0167122)


   

pyrazolone

3H-pyrazol-3-one

C3H2N2O (82.0167122)


   

Trifluoroethylene

1,1,2-trifluoroethene

C2HF3 (82.0030342)


   

Sodium aluminium oxide (NaAlO2)

aluminium(3+) ion sodium dioxidandiide

AlNaO2 (81.961141)


Food contaminant arising from its use as a boiler water additive in the prepn. of steam for food processing

   

Sodium acetate

Sodium acetic acid anhydrous

C2H3NaO2 (82.0030738)


Food additive. Flavouring agent; pH control agent. Sodium acetate, (also sodium ethanoate) is the sodium salt of acetic acid. It is an inexpensive chemical produced in industrial quantities for a wide range of uses. B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XA - Electrolyte solutions C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent Food additive. Flavouring agent; pH control agent

   

Sulfurous acid

Sulfurous acid

H2O3S (81.9724662)


   
   

Cyclopentenone

2-CYCLOPENTEN-1-ONE

C5H6O (82.0418626)


D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

3-METHYLFURAN

3-METHYLFURAN

C5H6O (82.0418626)


A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization.

   
   

Hydrogen sulfite

Hydrogen sulfite

H2O3S (81.9724662)


   

bisulfite

bisulfite

H2O3S (81.9724662)


   

Sylvan

5-17-01-00322 (Beilstein Handbook Reference)

C5H6O (82.0418626)


   

FEMA 3217

(2Z)-penta-2,4-dienal

C5H6O (82.0418626)


   

Phosphorous acid

Phosphorane, trihydroxy-

H3O3P (81.9819818)


   

1-chloro-2-fluoroethane

1-chloro-2-fluoroethane

C2H4ClF (81.9985546)


   

acetic acid, sodium salt, [2-14c]

acetic acid, sodium salt, [2-14c]

C2H3NaO2 (82.0030738)


   

1-Buten-3-yne,1-methoxy-

1-Buten-3-yne,1-methoxy-

C5H6O (82.0418626)


   

6-OXABICYCLO[3.1.0]HEX-3-ENE

6-OXABICYCLO[3.1.0]HEX-3-ENE

C5H6O (82.0418626)


   

2-Sulfanyl(2H4)ethanol

2-Sulfanyl(2H4)ethanol

C2H2D4OS (82.039043312)


   

Sodium (oxoboryl)dioxidanide

Sodium (oxoboryl)dioxidanide

BNaO3 (81.98382000000001)


   

acetic-1-13c acid, sodium salt

acetic-1-13c acid, sodium salt

C2H3NaO2 (82.0030738)


   

trifluoroethylene

trifluoroethylene

C2HF3 (82.0030342)


   

sodium acetate-13c2

sodium acetate-13c2

C2H3NaO2 (82.0030738)


   

3-cyclobutene-1,2-dione

3-cyclobutene-1,2-dione

C4H2O2 (82.0054792)


   

penta-3,4-dien-2-one

penta-3,4-dien-2-one

C5H6O (82.0418626)


   

2,2-Difluoroethanol

2,2-Difluoroethanol

C2H4F2O (82.0230198)


   

sodium [1-(14)C]acetate

sodium [1-(14)C]acetate

C2H3NaO2 (82.0030738)


   
   

1-chloro-1-fluoroethane

1-chloro-1-fluoroethane

C2H4ClF (81.9985546)


   

Sodium n-propoxide

Sodium n-propoxide

C3H7NaO (82.0394572)


   

2-cyclopropylideneacetaldehyde

2-cyclopropylideneacetaldehyde

C5H6O (82.0418626)


   

Sodium Propan-2-Olate

Sodium Propan-2-Olate

C3H7NaO (82.0394572)


   

Tetraphosphoric acid

Tetraphosphoric acid

H3O3P (81.9819818)


   

3-Cyclopenten-1-one

3-Cyclopenten-1-one

C5H6O (82.0418626)


   

SODIUM ACETATE-18O2

SODIUM ACETATE-18O2

C2H3NaO2 (82.0030738)


   

lithium,2-hydroxyacetate

lithium,2-hydroxyacetate

C2H3LiO3 (82.0242238)


   

ACETIC ACID-METHYL-3H SODIUM SALT

ACETIC ACID-METHYL-3H SODIUM SALT

C2H3NaO2 (82.0030738)


   

SODIUM ALUMINATE

SODIUM ALUMINATE

AlNaO2 (81.961141)


   

pent-1-en-4-yn-3-ol

pent-1-en-4-yn-3-ol

C5H6O (82.0418626)


   

sodium acetate-2-(13c)

sodium acetate-2-(13c)

C2H3NaO2 (82.0030738)


   

2-Penten-4-yn-1-ol

2-Penten-4-yn-1-ol

C5H6O (82.0418626)


   

METHYLDIFLUOROSILANE

METHYLDIFLUOROSILANE

CH4F2Si (82.0050328)


   
   

Sodium acetate C-11

Sodium acetate C-11

C2H3NaO2 (82.0030738)


   
   

Boric acid (H3BO3), sodium salt

Boric acid (H3BO3), sodium salt

BNaO3-2 (81.98382000000001)


   

2H-pyran

CHEBI:35592

C5H6O (82.0418626)


   

pyrazolone

pyrazolone

C3H2N2O (82.0167122)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D004396 - Coloring Agents

   
   

Aluminum sodium oxide (Al11NaO17)

Aluminum sodium oxide (Al11NaO17)

AlNaO2 (81.961141)


   

1,2,4,5-Tetrazine

1,2,4,5-Tetrazine

C2H2N4 (82.0279452)


   

Methylhydrazine hydrochloride

Methylhydrazine hydrochloride

CH7ClN2 (82.0297732)


   

Nitryl chloride

Nitryl chloride

ClHNO2- (81.9695816)


   

1,2,3,5-Tetrazine

1,2,3,5-Tetrazine

C2H2N4 (82.0279452)


   

930-30-3

InChI=1\C5H6O\c6-5-3-1-2-4-5\h1,3H,2,4H

C5H6O (82.0418626)


D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

1,2-Difluorethanol

1,2-Difluorethanol

C2H4F2O (82.0230198)


   

Sodium acetate

Sodium acetate

C2H3NaO2 (82.0030738)


B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05X - I.v. solution additives > B05XA - Electrolyte solutions C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

Sulfonic acid

Sulfonic acid

H2O3S (81.9724662)


   

2-METHYLFURAN

2-METHYLFURAN

C5H6O (82.0418626)


A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.

   

1,2,3,4-Tetrazine

1,2,3,4-Tetrazine

C2H2N4 (82.0279452)