Exact Mass: 76.096948356

Exact Mass Matches: 76.096948356

Found 45 metabolites which its exact mass value is equals to given mass value 76.096948356, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

1,3-PROPANEDIOL

1,3-PROPANEDIOL

C3H8O2 (76.0524268)


1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1]. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1].

   

Propylene glycol

(R)-2-Hydroxy-1-propanol

C3H8O2 (76.0524268)


Propylene glycol (CAS: 57-55-6), also known as 1,2-propanediol, is an organic compound (a diol alcohol), usually a tasteless, odourless, and colourless clear oily liquid that is hygroscopic and miscible with water, acetone, and chloroform. It is manufactured by the hydration of propylene oxide. Propylene glycol is used as a solvent for intravenous, oral, and topical pharmaceutical preparations It is generally considered safe. However, in large doses, it can be toxic, especially if given over a short period of time. Intravenous lorazepam contains the largest amount of propylene glycol of commonly used drugs. In adults with normal liver and kidney function, the terminal half-life of propylene glycol ranges from 1.4 to 3.3 hours. Propylene glycol is metabolized by the liver to form lactate, acetate, and pyruvate. The nonmetabolized drug is excreted in the urine mainly as the glucuronide conjugate, approximately 12 to 45 percent is excreted unchanged in urine. Renal clearance decreases as the dose administered increases (390 ml/minute/173 m2 at a dose of 5 g/day but only 144 ml/minute/173 m2 at a dose of 21 g/day). These data suggest that renal clearance declines at higher propylene glycol doses because of the saturation of proximal tubular secretion of the drug. As an acceptable level of propylene glycol has not been defined, the clinical implication of a propylene glycol level is unclear. The World Health Organization (WHO) recommends a maximum consumption of 25 mg/kg/day (1.8 g/day for a 75 kg male) of propylene glycol when used as a food additive, but this limit does not address its use as a drug solvent. No maximum dose is recommended in the literature for intravenous therapy with propylene glycol. Intoxication occurs at much higher doses than the WHO dose limit and is exclusive to pharmacologic exposure. Propylene glycol toxicity includes the development of serum hyperosmolality, lactic acidosis, and kidney failure. It has been suggested that proximal tubular necrosis is the cause of acute kidney injury from propylene glycol. Along these lines, proximal tubular cell injury occurs in cultured human cells exposed to propylene glycol. Acute tubular necrosis was described with propylene glycol toxicity in a case of concomitant administration of intravenous lorazepam and trimethoprim sulfamethoxazole. Propylene glycol induced intoxication can also mimic sepsis or systemic inflammatory response syndrome (SIRS). Patients suspected of having sepsis with negative cultures should be evaluated for propylene glycol toxicity if they have been exposed to high dose lorazepam or other medications containing this solvent (PMID:17555487). Propylene glycol is an anticaking agent, antioxidant, dough strengthener, emulsifier, flavouring agent, formulation aid, humectant, solvent, preservative, stabiliser, hog/poultry scald agent, and surface active agent. It is found in foods such as roasted sesame seeds, oats, truffle and other mushrooms. (R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1]. (R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1].

   

(S)-Propane-1,2-diol

(S)-(+)-Propane-1,2-diol

C3H8O2 (76.0524268)


(S)-Propane-1,2-diol, also known as (S)-1,2-propanediol or (S)-propylene glycol, belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions. (S)-Propane-1,2-diol is an extremely weak basic (essentially neutral) compound (based on its pKa). (S)-Propane-1,2-diol has been detected, but not quantified in, several different foods, such as common buckwheats, mustard spinach, sugar apples, black crowberries, and bayberries. This could make (S)-propane-1,2-diol a potential biomarker for the consumption of these foods. (S)-Propane-1,2-diol is a clear, colourless, viscous organic solvent and diluent used in pharmaceutical preparations. (S)-(+)-1,2-Propanediol is an endogenous metabolite.

   

propylene glycol

(R)-(-)-1,2-Propanediol

C3H8O2 (76.0524268)


D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles D012997 - Solvents (R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1]. (R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1].

   

2-Methoxyethanol

Carbowax sentry methoxypolyethylene glycol

C3H8O2 (76.0524268)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D013723 - Teratogens

   

Propanediol

propane-1,1-diol

C3H8O2 (76.0524268)


   

Di-methylsulfide borane

Di-methylsulfide borane

C2H9BS (76.0517984)


   

(2H3)-2-Propen(2H2)amide

(2H3)-2-Propen(2H2)amide

C3D5NO (76.06849789)


   

(2H7)Butanenitrile

(2H7)Butanenitrile

C4D7N (76.101786446)


   

1,3-(2,2-2H2)Propanediamine

1,3-(2,2-2H2)Propanediamine

C3H8D2N2 (76.096948356)


   
   
   

cyclopentene-d8

cyclopentene-d8

C5D8 (76.112814224)


   
   

cyclopropyl-2,2,3,3-d4-methyl alcohol

cyclopropyl-2,2,3,3-d4-methyl alcohol

C4H4D4O (76.082620512)


   

1-Fluorobutane

1-Fluorobutane

C4H9F (76.0688246)


   

O-(2-aminoethyl)hydroxylamine

O-(2-aminoethyl)hydroxylamine

C2H8N2O (76.06365980000001)


   

2-methoxyethanol

2-methoxyethanol

C3H8O2 (76.0524268)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D013723 - Teratogens

   

propane-1,3-diol

propane-1,3-diol

C3H8O2 (76.0524268)


The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.

   

dimethoxymethane

dimethoxymethane

C3H8O2 (76.0524268)


   

2,2-dideuteriopropanoic acid

2,2-dideuteriopropanoic acid

C3H4D2O2 (76.049331956)


   

tetrahydrofuran-2,2,5,5-d4

tetrahydrofuran-2,2,5,5-d4

C4H4D4O (76.082620512)


   

Propanediol

Propanediol

C3H8O2 (76.0524268)


   

[(2S)-2-hydroxypropyl]ammonium

[(2S)-2-hydroxypropyl]ammonium

C3H10NO+ (76.076235)


   

(R)-(−)-Propylene glycerol

(R)-(−)-Propylene glycerol

C3H8O2 (76.0524268)


(R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1]. (R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1].

   

AI3-01851

4-01-00-02493 (Beilstein Handbook Reference)

C3H8O2 (76.0524268)


1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1]. 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1].

   

(S)-Propane-1,2-diol

(S)-(+)-1,2-Propanediol

C3H8O2 (76.0524268)


(s)-propane-1,2-diol, also known as (S)-propylene glycol or (S)-1,2-dihydroxypropane, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions (s)-propane-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (s)-propane-1,2-diol can be found in a number of food items such as giant butterbur, pasta, celery leaves, and pecan nut, which makes (s)-propane-1,2-diol a potential biomarker for the consumption of these food products (s)-propane-1,2-diol can be found primarily in saliva (s)-propane-1,2-diol exists in all living organisms, ranging from bacteria to humans. (S)-(+)-1,2-Propanediol is an endogenous metabolite.

   

Trimethylenediaminium

Trimethylenediaminium

C3H12N2+2 (76.1000432)


   

2-Hydroxy-propyl-ammonium

2-Hydroxy-propyl-ammonium

C3H10NO+ (76.076235)


   

DL-2-aminopropan-1-ol

DL-2-aminopropan-1-ol

C3H10NO+ (76.076235)


   

L-2-aminopropan-1-ol

L-2-aminopropan-1-ol

C3H10NO+ (76.076235)


   

Methyl 2-hydroxyethylaminium

Methyl 2-hydroxyethylaminium

C3H10NO+ (76.076235)


   
   

1,2-Diammoniopropane

1,2-Diammoniopropane

C3H12N2+2 (76.1000432)


   

2-Methoxyethylaminium

2-Methoxyethylaminium

C3H10NO+ (76.076235)


   

Hydroxytrimethylaminium

Hydroxytrimethylaminium

C3H10NO+ (76.076235)


A methylated tertiary amine that is trimethylammonium in which the hydrogen attached to the nitrogen is replaced by a hydroxy group.

   

Dimethylamino(oxido)azanium

Dimethylamino(oxido)azanium

C2H8N2O (76.06365980000001)


   

R-1,2-PROPANEDIOL

(R)-(-)-1,2-Propanediol

C3H8O2 (76.0524268)


(R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1]. (R)-(-)-1,2-Propanediol is a (R)-enantiomer of 1,2-Propanediol that produced from glucose in Escherichia coli expressing NADH-linked glycerol dehydrogenase genes[1].

   

S-1,2-Propanediol

(S)-(+)-1,2-Propanediol

C3H8O2 (76.0524268)


(S)-(+)-1,2-Propanediol is an endogenous metabolite.

   

Trimethylenediaminium

Trimethylenediaminium

C3H12N2 (76.1000432)


An alkane-alpha,omega-diammonium(2+) that is the dication of trimethylenediamine arising from protonation of both nitrogens.

   

(2R)-2-hydroxypropylammonium

(2R)-2-hydroxypropylammonium

C3H10NO (76.076235)


An ammonium ion obtained by protonation of the amino group of (2R)-1-aminopropan-2-ol.

   

Propane-1,2-diol

Propane-1,2-diol

C3H8O2 (76.0524268)


The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.

   

(R)-Propane-1,2-diol

(R)-Propane-1,2-diol

C3H8O2 (76.0524268)


   

Methoxyethanol

Methoxyethanol

C3H8O2 (76.0524268)