Exact Mass: 180.18779039999998

Exact Mass Matches: 180.18779039999998

Found 90 metabolites which its exact mass value is equals to given mass value 180.18779039999998, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(3Z,6Z,9Z)-dodecatrienol

(Z,Z,Z)-3,6,9-Dodecatrien-1-ol

C12H20O (180.151407)


   

Candicine

[2-(4-hydroxyphenyl)ethyl]trimethylazanium

C11H18NO+ (180.1388318)


Candicine is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. Candicine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Candicine can be found in barley, which makes candicine a potential biomarker for the consumption of this food product. Candicine is a naturally occurring organic compound that is a quaternary ammonium salt with a phenethylamine skeleton. It is the N,N,N-trimethyl derivative of the well-known biogenic amine tyramine, and, being a natural product with a positively charged nitrogen atom in its molecular structure, it is classed as an alkaloid. Although it is found in a variety of plants, including barley, its properties have not been extensively studied with modern techniques. Candicine is toxic after parenteral administration, producing symptoms of neuromuscular blockade; further details are given in the "Pharmacology" section below . Candicine is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. Candicine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Candicine can be found in barley, which makes candicine a potential biomarker for the consumption of this food product. Candicine is a naturally occurring organic compound that is a quaternary ammonium salt with a phenethylamine skeleton. It is the N,N,N-trimethyl derivative of the well-known biogenic amine tyramine, and, being a natural product with a positively charged nitrogen atom in its molecular structure, it is classed as an alkaloid. Although it is found in a variety of plants, including barley, its properties have not been extensively studied with modern techniques. Candicine is toxic after parenteral administration, producing symptoms of neuromuscular blockade; further details are given in the "Pharmacology" section below.

   

Tricycloekasantalol

3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propan-1-ol

C12H20O (180.151407)


Tricycloekasantalol is a flavouring ingredient. It is isolated from oil of sandalwood (Santalum album). Flavouring ingredient. Isolated from oil of sandalwood (Santalum album)

   

(Z)-1,5-Tridecadiene

(5E)-trideca-1,5-diene

C13H24 (180.18779039999998)


(Z)-1,5-Tridecadiene is found in tea. (Z)-1,5-Tridecadiene is a constituent of the essential oil of Tussilago farfara (coltsfoot). Constituent of the essential oil of Tussilago farfara (coltsfoot). (Z)-1,5-Tridecadiene is found in tea.

   

cis-Quinceoxepane

4-methyl-2-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxepane

C12H20O (180.151407)


trans-Quinceoxepane is found in fruits. trans-Quinceoxepane is a constituent of quince fruit. Constituent of quince fruit. cis-Quinceoxepane is found in fruits.

   

Homodihydrojasmone

2-Hexyl-3-methyl-cyclopent-2-en-1-one

C12H20O (180.151407)


Homodihydrojasmone occurs in ginger and other natural source

   

2-trans-6-cis-Dodecadienal

2-trans-6-cis-Dodecadienal

C12H20O (180.151407)


2,6-Dodecadienal is found in animal foods. 2,6-Dodecadienal is a component of cooked chicken flavour. It is used as a food additive .

   

(2E,4E)-2,4-Dodecadienal

(trans,trans)-2,4-Dodecadienal

C12H20O (180.151407)


Flavouring ingredient especies for fats and oils. Reported in angelica root, oxidised soybean oil, oxidised milk, potato chips and cured ham. (2E,4E)-2,4-Dodecadienal is found in many foods, some of which are herbs and spices, potato, milk and milk products, and animal foods. (2E,4Z)-2,4-Dodecadienal is found in animal foods. (2E,4Z)-2,4-Dodecadienal is present in roasted chicken, roasted guineahen and citrus fruit peels.

   

n-octylimidazole

2-octyl-1H-imidazole

C11H20N2 (180.16264)


   

1,11-Tridecadiene

(11E)-trideca-1,11-diene

C13H24 (180.18779039999998)


1,11-tridecadiene is a member of the class of compounds known as alkadienes. Alkadienes are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds. 1,11-tridecadiene can be found in burdock, which makes 1,11-tridecadiene a potential biomarker for the consumption of this food product.

   

5-(1-Methylethyl)-2-propyl-2-cyclohexen-1-one

5-(1-Methylethyl)-2-propyl-2-cyclohexen-1-one

C12H20O (180.151407)


   

5,7-Dodecadienal, (5E,7Z)-

5,7-Dodecadienal, (5E,7Z)-

C12H20O (180.151407)


   

5-Isopropyl-2-propyl-2-cyclohexene-1-one

5-Isopropyl-2-propyl-2-cyclohexene-1-one

C12H20O (180.151407)


   

2,5,6,6-Tetramethyl-2-cyclohexene-1-acetaldehyde

2,5,6,6-Tetramethyl-2-cyclohexene-1-acetaldehyde

C12H20O (180.151407)


   

dodeca-1,11-dien-3-one

dodeca-1,11-dien-3-one

C12H20O (180.151407)


   

dodeca-3,6,8-trien-1-ol

dodeca-3,6,8-trien-1-ol

C12H20O (180.151407)


   

Acetylcamphan

Acetylcamphan

C12H20O (180.151407)


   

cis-1,2-diethyl-4-(1-methylethylidene)-cyclohexane

cis-1,2-diethyl-4-(1-methylethylidene)-cyclohexane

C13H24 (180.18779039999998)


   

4,8a-dimethyl-4a,5-epoxydecalin

4,8a-dimethyl-4a,5-epoxydecalin

C12H20O (180.151407)


   

SCHEMBL9836216

SCHEMBL9836216

C12H20O (180.151407)


   

7,8-Didehydrogeosmin

7,8-Didehydrogeosmin

C12H20O (180.151407)


   

3,6,8-dodecatrien-1-ol

dodeca-3,6,8-trien-1-ol

C12H20O (180.151407)


   

3Z,6E,8E-Dodecatrien-1-ol

3Z,6E,8E-Dodecatrien-1-ol

C12H20O (180.151407)


   

3Z,6Z,8E-Dodecatrien-1-ol

3Z,6Z,8E-Dodecatrien-1-ol

C12H20O (180.151407)


   

9E,11-Dodecadienal

9E,11-Dodecadienal

C12H20O (180.151407)


   

8E,10E-Dodecadienal

8E,10E-Dodecadienal

C12H20O (180.151407)


   

5E,7Z-Dodecadienal

5E,7Z-Dodecadienal

C12H20O (180.151407)


   

7E,9Z-Dodecadienal

7E,9Z-Dodecadienal

C12H20O (180.151407)


   

8E,10Z-Dodecadienal

8E,10Z-Dodecadienal

C12H20O (180.151407)


   

9Z,11-Dodecadienal

9Z,11-Dodecadienal

C12H20O (180.151407)


   

5Z,7E-Dodecadienal

5Z,7E-Dodecadienal

C12H20O (180.151407)


   

8Z,10E-Dodecadienal

8Z,10E-Dodecadienal

C12H20O (180.151407)


   

5Z,7Z-Dodecadienal

5Z,7Z-Dodecadienal

C12H20O (180.151407)


   

Homodihydrojasmone

2-Hexyl-3-methyl-cyclopent-2-en-1-one

C12H20O (180.151407)


   

2,6-DODECADIEN-1-al

2-trans-6-cis-Dodecadienal

C12H20O (180.151407)


   

cis-Quinceoxepane

4-methyl-2-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxepane

C12H20O (180.151407)


   

Tricycloekasantalol

3-{2,3-dimethyltricyclo[2.2.1.0^{2,6}]heptan-3-yl}propan-1-ol

C12H20O (180.151407)


   

FEMA 3670

(trans,trans)-2,4-Dodecadienal

C12H20O (180.151407)


   
   

FOH 12:3

(Z,Z,Z)-3,6,9-Dodecatrien-1-ol

C12H20O (180.151407)


   

FAL 12:2

8Z,10E-Dodecadienal

C12H20O (180.151407)


   

2-Ethyl-2-adamantanol

2-Ethyl-2-adamantanol

C12H20O (180.151407)


   
   
   

1-cyclohex-3-enylmethyl-piperazine

1-cyclohex-3-enylmethyl-piperazine

C11H20N2 (180.16264)


   

3-(cyclooctylamino)propanenitrile

3-(cyclooctylamino)propanenitrile

C11H20N2 (180.16264)


   

4,4-Dipropylcyclohex-2-enone

4,4-Dipropylcyclohex-2-enone

C12H20O (180.151407)


   

HEXYNYLCYCLOHEXANOL

HEXYNYLCYCLOHEXANOL

C12H20O (180.151407)


   
   

2-Adamantan-1-ylethanol

2-Adamantan-1-ylethanol

C12H20O (180.151407)


   

3-METHYL-5-PENTYLCYCLOHEX-2-ENONE

3-METHYL-5-PENTYLCYCLOHEX-2-ENONE

C12H20O (180.151407)


   

[1,1-Bicyclohexyl]-4-one

[1,1-Bicyclohexyl]-4-one

C12H20O (180.151407)


   

2-hexylidene cyclohexan-1-one

2-hexylidene cyclohexan-1-one

C12H20O (180.151407)


   

diethyl dimethyl-2-cyclohexenone

diethyl dimethyl-2-cyclohexenone

C12H20O (180.151407)


   

3,5-di-tert-butyl-1H-pyrazole

3,5-di-tert-butyl-1H-pyrazole

C11H20N2 (180.16264)


   

2-Methyl-N1-(2-methyl-2-propanyl)-1,2-propanediamine hydrochloride (1:1)

2-Methyl-N1-(2-methyl-2-propanyl)-1,2-propanediamine hydrochloride (1:1)

C8H21ClN2 (180.1393176)


   

Pyrazine, 2,3-dihydro-2,6-dimethyl-5-pentyl- (9CI)

Pyrazine, 2,3-dihydro-2,6-dimethyl-5-pentyl- (9CI)

C11H20N2 (180.16264)


   

Pyrazine, 2,3-dihydro-2,5-dimethyl-6-pentyl- (9CI)

Pyrazine, 2,3-dihydro-2,5-dimethyl-6-pentyl- (9CI)

C11H20N2 (180.16264)


   
   

1-octylimidazole

1-octylimidazole

C11H20N2 (180.16264)


   

1,3-DI-TERT-BUTYL-1H-IMIDAZOL-3-IUM-2-IDE

1,3-DI-TERT-BUTYL-1H-IMIDAZOL-3-IUM-2-IDE

C11H20N2 (180.16264)


   

3-ETHYL-1-ADAMANTANOL

3-ETHYL-1-ADAMANTANOL

C12H20O (180.151407)


   

2-heptylidenecyclopentan-1-one

2-heptylidenecyclopentan-1-one

C12H20O (180.151407)


   

2-Cyclohexylcyclohexanone

2-Cyclohexylcyclohexanone

C12H20O (180.151407)


   

petitgrain heptane

petitgrain heptane

C12H20O (180.151407)


   

1-hydroxy-3,5-dimethyladamantane

1-hydroxy-3,5-dimethyladamantane

C12H20O (180.151407)


   

2,8-Diazaspiro[4.5]decane, 2-cyclopropyl

2,8-Diazaspiro[4.5]decane, 2-cyclopropyl

C11H20N2 (180.16264)


   

2-Octylfuran

2-Octylfuran

C12H20O (180.151407)


A member of the class of furans that is furan substituted by an octyl group at position 2.

   
   

2-(Ethenyloxy)-1,7,7-trimethylbicyclo[2.2.1]heptane

2-(Ethenyloxy)-1,7,7-trimethylbicyclo[2.2.1]heptane

C12H20O (180.151407)


   

1-Propanone, 1-(2-tert-butyl-2-cyclopropen-1-yl)-2,2-dimethyl-

1-Propanone, 1-(2-tert-butyl-2-cyclopropen-1-yl)-2,2-dimethyl-

C12H20O (180.151407)


   

1-Hexyl-3,5-dimethyl-1H-pyrazole

1-Hexyl-3,5-dimethyl-1H-pyrazole

C11H20N2 (180.16264)


   

00301_FLUKA

(trans,trans)-2,4-Dodecadienal

C12H20O (180.151407)


   

21964-48-7

trideca-1,12-diene

C13H24 (180.18779039999998)


   

Candicine

Ammonium, (p-hydroxyphenethyl)trimethyl-

C11H18NO+ (180.1388318)


   

(1r,2s)-n-Methylephedrine

(1r,2s)-n-Methylephedrine

C11H18NO+ (180.1388318)


   

(+)-(1S,2S)-N-methylpseudoephedrine

(+)-(1S,2S)-N-methylpseudoephedrine

C11H18NO+ (180.1388318)


   
   

2-(1,3-Dimethyl-3-butenyl)cyclohexanone

2-(1,3-Dimethyl-3-butenyl)cyclohexanone

C12H20O (180.151407)


   

2,2,7,7-Tetramethyl-4-methylenecycloheptanone

2,2,7,7-Tetramethyl-4-methylenecycloheptanone

C12H20O (180.151407)


   

2,2,7,7-Tetramethyl-octa-4,5-dien-3-one

2,2,7,7-Tetramethyl-octa-4,5-dien-3-one

C12H20O (180.151407)


   

2,4,4-Trimethyl-6-methyleneoct-7-EN-3-one

2,4,4-Trimethyl-6-methyleneoct-7-EN-3-one

C12H20O (180.151407)


   

(1R,2R,(4A)S,(8A)R)-1,2,(4A),5,6,7,8,(8A)-Octahydro-2-methylnaphthalen-1-methanol

(1R,2R,(4A)S,(8A)R)-1,2,(4A),5,6,7,8,(8A)-Octahydro-2-methylnaphthalen-1-methanol

C12H20O (180.151407)


   

(2E,4E)-2,4-Dodecadienal

(E,E)-2,4-Dodecadien-1-al

C12H20O (180.151407)


   

2-trans-6-cis-Dodecadienal

2-trans-6-cis-Dodecadienal

C12H20O (180.151407)


   

2-hexyl-3-methylcyclopent-2-en-1-one

2-hexyl-3-methylcyclopent-2-en-1-one

C12H20O (180.151407)


   

Dodecatrienol

Dodecatrienol

C12H20O (180.151407)


   

4,8a-dimethyl-1,2,3,4,5,8-hexahydronaphthalen-4a-ol

4,8a-dimethyl-1,2,3,4,5,8-hexahydronaphthalen-4a-ol

C12H20O (180.151407)


   

2-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)acetaldehyde

2-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)acetaldehyde

C12H20O (180.151407)