Exact Mass: 92.053392

Exact Mass Matches: 92.053392

Found 94 metabolites which its exact mass value is equals to given mass value 92.053392, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Glycerol

propane-1,2,3-triol

C3H8O3 (92.0473418)


Glycerol or glycerin is a colourless, odourless, viscous liquid that is sweet-tasting and mostly non-toxic. It is widely used in the food industry as a sweetener and humectant and in pharmaceutical formulations. Glycerol is an important component of triglycerides (i.e. fats and oils) and of phospholipids. Glycerol is a three-carbon substance that forms the backbone of fatty acids in fats. When the body uses stored fat as a source of energy, glycerol and fatty acids are released into the bloodstream. The glycerol component can be converted into glucose by the liver and provides energy for cellular metabolism. Normally, glycerol shows very little acute toxicity and very high oral doses or acute exposures can be tolerated. On the other hand, chronically high levels of glycerol in the blood are associated with glycerol kinase deficiency (GKD). GKD causes the condition known as hyperglycerolemia, an accumulation of glycerol in the blood and urine. There are three clinically distinct forms of GKD: infantile, juvenile, and adult. The infantile form is the most severe and is associated with vomiting, lethargy, severe developmental delay, and adrenal insufficiency. The mechanisms of glycerol toxicity in infants are not known, but it appears to shift metabolism towards chronic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated GKD. Many affected children with organic acidemias experience intellectual disability or delayed development. Patients with the adult form of GKD generally have no symptoms and are often detected fortuitously. Glycerol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=56-81-5 (retrieved 2024-07-01) (CAS RN: 56-81-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Toluene

Methylbenzene, 9ci

C7H8 (92.0625968)


Toluene, also known as methylbenzene or phenylmethane, belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Toluene is a drug which is used for the removal of ascarids (toxocara canis and toxascaris leonina) and hookworms (ancylostoma caninum and uncinaria stenocephala) and as an aid in removing tapeworms (taenia pisiformis, dipylidium caninum, and echinococcus granulosus) from dogs and cats. Toluene is possibly neutral. Toluene exists in all living species, ranging from bacteria to humans. Toluene is a sweet and paint tasting compound. Toluene is found, on average, in the highest concentration within a few different foods, such as black walnuts, rosemaries, and corianders and in a lower concentration in milk (cow) and kohlrabis. Toluene has also been detected, but not quantified, in several different foods, such as prickly pears, citrus, yellow bell peppers, apples, and garden tomato (var.). This could make toluene a potential biomarker for the consumption of these foods. Toluene is a potentially toxic compound. Toluene, with regard to humans, has been found to be associated with several diseases such as pervasive developmental disorder not otherwise specified, perillyl alcohol administration for cancer treatment, autism, and asthma; toluene has also been linked to the inborn metabolic disorder celiac disease. Isolated from distilled tolu balsam (Myroxylon balsamum). Minor constituent of lime oil (Citrus aurantifolia) D012997 - Solvents

   

Cibulins

propane-1-SO-thioperoxol

C3H8OS (92.0295838)


Cibulins is found in onion-family vegetables. Cibulins is isolated from onions inoculated with Botrytis cinerea and Fusarium solan

   

2-(Methylthio)ethanol

beta-Hydroxyethyl methyl sulphide

C3H8OS (92.0295838)


2-(Methylthio)ethanol, also known as 2-methylmercaptoethanol or 2-(methylsulfanyl)ethanol, belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. 2-(Methylthio)ethanol is a meaty and sulfurous tasting compound. 2-(Methylthio)ethanol has been detected, but not quantified, in mung beans and soy beans. It is used as a food additive .

   
   

Hydroxymethyl hydrogen carbonate

Hydroxymethyl hydrogen carbonic acid

C2H4O4 (92.0109584)


   

Phenyl, 4-amino-

Phenyl, 4-amino-

C6H6N (92.0500216)


   

Hydroperoxyurea

N-Hydroperoxycarbamimidate

CH4N2O3 (92.0221914)


   

1,5-Heptadien-3-yne

1,5-Heptadien-3-yne

C7H8 (92.0625968)


   

3-Mercapto-1-propanol

3-Mercapto-1-propanol

C3H8OS (92.0295838)


   

Dinitrile-2-Methylbutenedioic acid

Dinitrile-2-Methylbutenedioic acid

C5H4N2 (92.0374464)


   

1H-pyrrole-2-carbonitrile|2-cyano-pyrrol|2-cyanopyrrole|2-pyrrolecarbonitrile|2-pyrrolocarbonitrile|pyrrole 2-carbonitrile|pyrrole-2-carbonitrile

1H-pyrrole-2-carbonitrile|2-cyano-pyrrol|2-cyanopyrrole|2-pyrrolecarbonitrile|2-pyrrolocarbonitrile|pyrrole 2-carbonitrile|pyrrole-2-carbonitrile

C5H4N2 (92.0374464)


   

2,4-Hexadeynal

2,4-Hexadeynal

C6H4O (92.0262134)


   

Methyl fluoroacetate

Methyl fluoroacetate

C3H5FO2 (92.0273562)


   

glycerol

glycerol

C3H8O3 (92.0473418)


A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups.

   

Cibulins

propane-1-SO-thioperoxol

C3H8OS (92.0295838)


   

Methylthioethanol

beta-Hydroxyethyl methyl sulfide

C3H8OS (92.0295838)


   

2-Methoxyethanethiol

2-Methoxyethanethiol

C3H8OS (92.0295838)


   

3-Fluoropropanoic acid

3-Fluoropropanoic acid

C3H5FO2 (92.0273562)


   
   

Chlorobutane

N-butyl Chloride

C4H9Cl (92.03927440000001)


C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent

   

Norbornadiene

2,5-Norbornadiene

C7H8 (92.0625968)


   

1-Fluoro-3-hydroxy-2-propanone

1-Fluoro-3-hydroxy-2-propanone

C3H5FO2 (92.0273562)


   
   

1,2,3-Propanetriol-1,3-13C2

1,2,3-Propanetriol-1,3-13C2

C3H8O3 (92.0473418)


   

Cyclopentene,1-ethynyl-

Cyclopentene,1-ethynyl-

C7H8 (92.0625968)


   

Fluoro(trimethyl)silane

Fluoro(trimethyl)silane

C3H9FSi (92.0457526)


   

toluene-ring-ul-14c

toluene-ring-ul-14c

C7H8 (92.0625968)


   

(2H4)-1,3-Dioxolan-2-one

(2H4)-1,3-Dioxolan-2-one

C3D4O3 (92.041152112)


   

Methyl-13C-benzene

Methyl-13C-benzene

C7H8 (92.0625968)


   

Hydrazine Acetate

Hydrazine Acetate

C2H8N2O2 (92.0585748)


   

2,3-(2H6)Butanedione

2,3-(2H6)Butanedione

C4D6O2 (92.074440668)


   

methyl acrylate-d6

methyl acrylate-d6

C4D6O2 (92.074440668)


   

Poly(oxy-1,3-phenylene)(9CI)

Poly(oxy-1,3-phenylene)(9CI)

C6H4O (92.0262134)


   

1H-Pyrrole-3-carbonitrile

1H-Pyrrole-3-carbonitrile

C5H4N2 (92.0374464)


   
   

2-(Hydroxymethoxy)ethanol

2-(Hydroxymethoxy)ethanol

C3H8O3 (92.0473418)


   

4-Ethynyl-1H-pyrazole

4-Ethynyl-1H-pyrazole

C5H4N2 (92.0374464)


   

tetracyclo[2.2.1.02,6.03,5]heptane

tetracyclo[2.2.1.02,6.03,5]heptane

C7H8 (92.0625968)


   

Cycloheptatriene

Cycloheptatriene

C7H8 (92.0625968)


   

2-Oxoacetic acid

2-Oxoacetic acid

C2H4O4 (92.0109584)


2,2-Dihydroxyacetic acid is an endogenous metabolite.

   

Methylbenzene-4-13C

Methylbenzene-4-13C

C7H8 (92.0625968)


   

tert-butyl chloride

2-Chloro-2-methylpropane

C4H9Cl (92.03927440000001)


   
   
   

methacrylic acid-d6

methacrylic acid-d6

C4D6O2 (92.074440668)


   

dimethylsilanediol

POLY(DIMETHYLSILOXANE), HYDROXY TERMINATED

C2H8O2Si (92.02935480000001)


   

2-Fluoro-2-methyl-1-propanol

2-Fluoro-2-methyl-1-propanol

C4H9FO (92.0637396)


   

4-Fluoro-1-butanol

4-Fluoro-1-butanol

C4H9FO (92.0637396)


   

Aminoacetonitrile hydrochloride

Aminoacetonitrile hydrochloride

C2H5ClN2 (92.014124)


   
   

vinyl acetate-d6

vinyl acetate-d6

C4D6O2 (92.074440668)


   

tetrahydrothiophene-2,2,5,5-d4

tetrahydrothiophene-2,2,5,5-d4

C4H4D4S (92.059777512)


   

1,2,3-Propanetriol-13C3

1,2,3-Propanetriol-13C3

C3H8O3 (92.0473418)


   
   

2-Fluoropropionic acid

2-Fluoropropionic acid

C3H5FO2 (92.0273562)


   

1,2-Ethanediamine - ethynyllithium (1:1)

1,2-Ethanediamine - ethynyllithium (1:1)

C4H9LiN2 (92.09257439999999)


   

3,3,4,4,5,5-hexadeuteriooxolan-2-one

3,3,4,4,5,5-hexadeuteriooxolan-2-one

C4D6O2 (92.074440668)


   

1-sulfanylpropan-2-ol

1-sulfanylpropan-2-ol

C3H8OS (92.0295838)


   

lithium,2-methylprop-2-enoate

lithium,2-methylprop-2-enoate

C4H5LiO2 (92.04495800000001)


   

glyoxylic acid hydrate

glyoxylic acid hydrate

C2H4O4 (92.0109584)


   

Pyrrole-2-carbonitrile

Pyrrole-2-carbonitrile

C5H4N2 (92.0374464)


   

1,2,3-Propanetriol-2-13C

1,2,3-Propanetriol-2-13C

C3H8O3 (92.0473418)


   

1,6-HEPTADIYNE

1,6-HEPTADIYNE

C7H8 (92.0625968)


   

4-Fluorobutanol

4-Fluorobutanol

C4H9FO (92.0637396)


   

GLYCEROL-1,2,3-3H

GLYCEROL-1,2,3-3H

C3H8O3 (92.0473418)


   

3-ETHYNYL-FURAN

3-ETHYNYL-FURAN

C6H4O (92.0262134)


   
   

3-ETHYNYL-2-HYDROXY-PHENOL

3-ETHYNYL-2-HYDROXY-PHENOL

C6H4O (92.0262134)


   

Trimethylphosphine Oxide

Trimethylphosphine Oxide

C3H9OP (92.0390994)


   

2,5-HEPTADIYNE

2,5-HEPTADIYNE

C7H8 (92.0625968)


   

Methylbenzene-13C6

Methylbenzene-13C6

C7H8 (92.0625968)


   

Spiro[2.4]hepta-4,6-diene

Spiro[2.4]hepta-4,6-diene

C7H8 (92.0625968)


   

1,1,3-Propanetriol

1,1,3-Propanetriol

C3H8O3 (92.0473418)


   

Phenyl, 4-amino-

Phenyl, 4-amino-

C6H6N (92.0500216)


   

bicyclo[3.2.0]Hepta-2,6-diene

bicyclo[3.2.0]Hepta-2,6-diene

C7H8 (92.0625968)


   

Phenylamino

Phenylamino

C6H6N (92.0500216)


   

Hydroxymethylnitramine

Hydroxymethylnitramine

CH4N2O3 (92.0221914)


   

5-Ethenylcyclopenta-1,3-diene

5-Ethenylcyclopenta-1,3-diene

C7H8 (92.0625968)


   

Optim

4-01-00-02751 (Beilstein Handbook Reference)

C3H8O3 (92.0473418)


A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D020011 - Protective Agents > D003451 - Cryoprotective Agents D012997 - Solvents

   

Toluol

InChI=1\C7H8\c1-7-5-3-2-4-6-7\h2-6H,1H

C7H8 (92.0625968)


D012997 - Solvents

   

Tropiliden

Cycloheptatriene [UN2603] [Flammable liquid]

C7H8 (92.0625968)


   

1,3-Dihydroxypropan-2-ylammonium

1,3-Dihydroxypropan-2-ylammonium

C3H10NO2+ (92.07115)


   
   

2,3-Dihydroxypropylazanium

2,3-Dihydroxypropylazanium

C3H10NO2+ (92.07115)


   

3-Sulfanylpropylazanium

3-Sulfanylpropylazanium

C3H10NS+ (92.053392)


   

Toluene-d8

Toluene-d8

C7H8 (92.0625968)


   

Hydroperoxyacetic acid

Hydroperoxyacetic acid

C2H4O4 (92.0109584)


   

Glycerin

Glycerin

C3H8O3 (92.0473418)


A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D020011 - Protective Agents > D003451 - Cryoprotective Agents D012997 - Solvents

   

toluene

toluene

C7H8 (92.0625968)


D012997 - Solvents

   

2-METHYLTHIOETHANOL

2-(Methylthio)ethanol

C3H8OS (92.0295838)


A primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis.

   

propanesulfenic acid

propanesulfenic acid

C3H8OS (92.0295838)


An S-alkylsulfenic acid that is sulfenic acid in which the thiol hydrogen is replaced by a propyl group.

   

2,4-hexadiynal

NA

C6H4O (92.0262134)


{"Ingredient_id": "HBIN004395","Ingredient_name": "2,4-hexadiynal","Alias": "NA","Ingredient_formula": "C6H4O","Ingredient_Smile": "CC#CC#CC=O","Ingredient_weight": "92.1","OB_score": "NA","CAS_id": "3777-60-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8886","PubChem_id": "17877642","DrugBank_id": "NA"}

   

(3E)-3-(2-propenylidene)一1-cyclobutene

NA

C7H8 (92.0625968)


{"Ingredient_id": "HBIN008445","Ingredient_name": "(3E)-3-(2-propenylidene)\u4e001-cyclobutene","Alias": "NA","Ingredient_formula": "C7H8","Ingredient_Smile": "C=CC=C1CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35513","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}