Exact Mass: 200.1776

Exact Mass Matches: 200.1776

Found 131 metabolites which its exact mass value is equals to given mass value 200.1776, within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error 0.0002 dalton.

Dodecanoic acid

dodecanoic acid

C12H24O2 (200.1776)


Dodecanoic acid, also known as dodecanoate or lauric acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Dodecanoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Dodecanoic acid is the main fatty acid in coconut oil and in palm kernel oil, and is believed to have antimicrobial properties. It is a white, powdery solid with a faint odour of bay oil. Dodecanoic acid, although slightly irritating to mucous membranes, has a very low toxicity and so is used in many soaps and shampoos. Defoamer, lubricant. It is used in fruit coatings. Occurs as glyceride in coconut oil and palm kernel oil. Simple esters are flavour ingredients Lauric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=143-07-7 (retrieved 2024-07-01) (CAS RN: 143-07-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

   

Ethyl decanoate

Ethyl ester OF decanoic acid

C12H24O2 (200.1776)


Present in sweet and sour cherry, pineapple, blackberry, plum, quince, cape gooseberry, pawpaw, crispbread, wines, spirits, cerimon (Monstera deliciosa) and roasted filbert. Flavouring agent. Ethyl decanoate is found in many foods, some of which are fruits, german camomile, nuts, and sweet marjoram. Ethyl decanoate, also known as ethyl caprate or ethyl capric acid, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl decanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.

   

Isobutyl octanoate

Octanoic acid,2-methylpropyl ester

C12H24O2 (200.1776)


Isobutyl octanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.

   

Hexyl hexanoate

Hexanoic acid, hexyl ester

C12H24O2 (200.1776)


Hexyl hexanoate, also known as capryl caproate or fema 2572, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Hexyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hexyl hexanoate is used in fruit flavouring. It is found in many fruits, parmesan cheese, alcoholic beverages and black tea. It is a volatile component from fruit ripening.

   

Decyl acetate

Decyl alcohol, acetate (6ci)

C12H24O2 (200.1776)


Decyl acetate is found in citrus. Decyl acetate is a flavouring agent. Decyl acetate is present in citrus peels, apple, melon, strawberry, celery and other foodstuffs. Decyl acetate is used in apple, orange and rum flavours. Decyl acetate is a flavouring agent. It is found in citrus peels, apple, melon, strawberry, celery and other foodstuffs. Used in apple, orange and rum flavours.

   

(R)-Dihydrocitronellol acetate

(R)-Dihydrocitronellol acetic acid

C12H24O2 (200.1776)


(R)-Dihydrocitronellol acetate is found in herbs and spices. (R)-Dihydrocitronellol acetate is found in essential oil of Mentha specie Found in essential oil of Mentha subspecies

   

Octyl butanoate

Butyric acid, octyl ester (8ci)

C12H24O2 (200.1776)


Octyl butanoate, also known as N-octyl butyrate or fema 2807, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Octyl butanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is used in fruit food flavouring. Octyl butanoate is found in parsnip.

   

Octyl 2-methylpropanoate

Isobutyric acid, octyl ester (6ci,7ci,8ci)

C12H24O2 (200.1776)


Octyl 2-methylpropanoate is used in food flavouring. It is used in food flavouring.

   

2-Heptyl butyrate

1-Methylhexyl butanoate

C12H24O2 (200.1776)


3-Octyl butyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .

   

Nonanal propyleneglycol acetal

2-Octyl-4-methyl-1, 3-dioxolane

C12H24O2 (200.1776)


Nonanal propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

Isopropyl nonanoate

Nonanoic acid, 1-methylethyl ester

C12H24O2 (200.1776)


Isopropyl nonanoate is used in food flavouring. It is used in food flavouring.

   

Pentyl heptanoate

Heptanoic acid, pentyl ester

C12H24O2 (200.1776)


Pentyl heptanoate is a flavouring ingredien Flavouring ingredient

   

Isohexyl isocaproate

4-Methylpentyl 4-methylpentanoic acid

C12H24O2 (200.1776)


Isohexyl isocaproate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Isohexyl isocaproate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isohexyl isocaproate can be found in a number of food items such as pepper (c. frutescens), orange bell pepper, pepper (c. annuum), and yellow bell pepper, which makes isohexyl isocaproate a potential biomarker for the consumption of these food products.

   

2-(L-Menthoxy)ethanol

2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}ethan-1-ol

C12H24O2 (200.1776)


It is used as a food additive .

   

2-Nonanone propyleneglycol acetal

2-heptyl-2,4-dimethyl-1,3-dioxolane

C12H24O2 (200.1776)


It is used as a food additive .

   

heptyl 2-methylbutyrate

Heptyl 2-methylbutanoic acid

C12H24O2 (200.1776)


Flavouring compound [Flavornet]

   

butyl octanoate

Octanoic acid, butylester

C12H24O2 (200.1776)


Flavouring compound [Flavornet]

   

4,9-Dimethyldecanoic acid

4,9-Dimethyldecanoic acid

C12H24O2 (200.1776)


   

Methyl undecanoate

Undecanoic acid methyl eser

C12H24O2 (200.1776)


Methyl undecanoate is an internal standard in gas-liquid chromatogram[1]. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].

   

2-Methylbutyl heptanoate

2-Methylbutyl heptanoate

C12H24O2 (200.1776)


   

BUTYL OCTANOATE

Octanoic acid, butylester

C12H24O2 (200.1776)


An octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol.

   

Methyl 2,4,6-trimethyloctanoate

Methyl 2,4,6-trimethyloctanoate

C12H24O2 (200.1776)


   

heptan-2-yl pentanoate

heptan-2-yl pentanoate

C12H24O2 (200.1776)


   

hexanoic acid isohexyl ester

hexanoic acid isohexyl ester

C12H24O2 (200.1776)


   

Isovaleriansaeure-(1,4-dimethyl-pentylester)|isovaleric acid-(1,4-dimethyl-pentyl ester)

Isovaleriansaeure-(1,4-dimethyl-pentylester)|isovaleric acid-(1,4-dimethyl-pentyl ester)

C12H24O2 (200.1776)


   

Methyl 4,8-dimethylnonanoate

Methyl 4,8-dimethylnonanoate

C12H24O2 (200.1776)


   

10-Methylundecanoic acid

10-Methylundecanoic acid

C12H24O2 (200.1776)


A methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10.

   

Heptyl 2-methylbutyrate

Heptyl 2-methylbutyrate

C12H24O2 (200.1776)


   

8-hydroxy-5-propan-2-ylnonan-2-one

8-hydroxy-5-propan-2-ylnonan-2-one

C12H24O2 (200.1776)


   

Nonyl propionate

Nonyl propionate

C12H24O2 (200.1776)


   

5-propan-2-ylnon-3-ene-2,8-diol

5-propan-2-ylnon-3-ene-2,8-diol

C12H24O2 (200.1776)


   

4-Methylpentyl 4-methylpentanoate

4-Methylpentyl 4-methylpentanoate

C12H24O2 (200.1776)


   

2,8-Dimethyldecanoic acid

2,8-Dimethyldecanoic acid

C12H24O2 (200.1776)


   

2,6-Dimethylnonanoic acid methyl ester

2,6-Dimethylnonanoic acid methyl ester

C12H24O2 (200.1776)


   

Methyl 2-methyldecanoate

Methyl 2-methyldecanoate

C12H24O2 (200.1776)


   

Heptyl valerate

Heptyl valerate

C12H24O2 (200.1776)


   

2,6-Dimethyldecanoic acid

2,6-Dimethyldecanoic acid

C12H24O2 (200.1776)


   

2,4,6-trimethylnonanoic Acid

2,4,6-trimethylnonanoic Acid

C12H24O2 (200.1776)


   

2,4-Dimethylnonanoic acid methyl ester

2,4-Dimethylnonanoic acid methyl ester

C12H24O2 (200.1776)


   

Methyl undecanoate

Methyl undecanoate, certified reference material, TraceCERT(R)

C12H24O2 (200.1776)


Methyl undecanoate is a fatty acid methyl ester of undecanoic acid. It has a role as a metabolite. It is functionally related to an undecanoic acid. Methyl undecanoate is a natural product found in Astragalus mongholicus, Houttuynia cordata, and other organisms with data available. A fatty acid methyl ester of undecanoic acid. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1]. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].

   

Lauric acid

Dodecanoic acid

C12H24O2 (200.1776)


Lauric acid, systematically dodecanoic acid, is a saturated fatty acid with a 12-carbon atom chain, thus having many properties of medium-chain fatty acids.[6] It is a bright white, powdery solid with a faint odor of bay oil or soap. The salts and esters of lauric acid are known as laurates. Lauric acid, as a component of triglycerides, comprises about half of the fatty-acid content in coconut milk, coconut oil, laurel oil, and palm kernel oil (not to be confused with palm oil),[10][11] Otherwise, it is relatively uncommon. It is also found in human breast milk (6.2\\\\% of total fat), cow's milk (2.9\\\\%), and goat's milk (3.1\\\\%). Lauric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=143-07-7 (retrieved 2024-07-01) (CAS RN: 143-07-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

   

Dodecanoic acid

Dodecanoic acid

C12H24O2 (200.1776)


A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.

   

Isolauric acid

10-methyl-hendecanoic acid

C12H24O2 (200.1776)


   

2-methylundecanoic acid

2-methyl-undecanoic acid

C12H24O2 (200.1776)


   

3-methyl-undecanoic acid

3-methyl-undecanoic acid

C12H24O2 (200.1776)


   

4-methyl-undecanoic acid

4-methyl-undecanoic acid

C12H24O2 (200.1776)


   

5-methyl-undecanoic acid

5-methyl-undecanoic acid

C12H24O2 (200.1776)


   

6-methyl-undecanoic acid

6-methyl-undecanoic acid

C12H24O2 (200.1776)


   

8-methyl-undecanoic acid

8-methyl-undecanoic acid

C12H24O2 (200.1776)


   

9-methyl-undecanoic acid

9-methyl-undecanoic acid

C12H24O2 (200.1776)


   

Lauric acid(d3)

Dodecanoic acid(d3)

C12H24O2 (200.1776)


   

DECYL ACETATE

DECYL ACETATE

C12H24O2 (200.1776)


   

3R-methyl-undecanoic acid

3R-methyl-undecanoic acid

C12H24O2 (200.1776)


   

Ethyl caprate

Ethyl ester OF decanoic acid

C12H24O2 (200.1776)


A fatty acid ethyl ester of decanoic acid.

   

2-Heptyl butyrate

1-Methylhexyl butanoate

C12H24O2 (200.1776)


   

Nonanal propyleneglycol acetal

2-Octyl-4-methyl-1, 3-dioxolane

C12H24O2 (200.1776)


   

Hexyl hexoate

Hexanoic acid, hexyl ester

C12H24O2 (200.1776)


   

Isopropyl nonylate

Nonanoic acid, 1-methylethyl ester

C12H24O2 (200.1776)


   

Octyl butyrate

Butyric acid, octyl ester (8ci)

C12H24O2 (200.1776)


   

Octyl isobutyrate

Isobutyric acid, octyl ester (6ci,7ci,8ci)

C12H24O2 (200.1776)


   

dimethyl octanyl acetate

(R)-Dihydrocitronellol acetate

C12H24O2 (200.1776)


   

Amyl heptoate

Heptanoic acid, pentyl ester

C12H24O2 (200.1776)


   

C12:0

Laurostearic acid

C12H24O2 (200.1776)


Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

   

FA 12:0

10-methyl-hendecanoic acid

C12H24O2 (200.1776)


   

WE 12:0

octyl 2-methyl-propionyl

C12H24O2 (200.1776)


   

SFE 12:0

Butanoic acid, octylester

C12H24O2 (200.1776)


   

isodecyl acetate branched

isodecyl acetate branched

C12H24O2 (200.1776)


   

2-(4-propylcyclohexyl)propane-1,3-diol

2-(4-propylcyclohexyl)propane-1,3-diol

C12H24O2 (200.1776)


   

TETRAHYDROLINALYL ACETATE

TETRAHYDROLINALYL ACETATE

C12H24O2 (200.1776)


   

2-ethylhexyl butanoate

2-ethylhexyl butanoate

C12H24O2 (200.1776)


   

Dodecanoic acid-2-13C

Dodecanoic acid-2-13C

C12H24O2 (200.1776)


   

1,2-cyclododecanediol

1,2-cyclododecanediol

C12H24O2 (200.1776)


   

isobutyl 2-ethylhexanoate

isobutyl 2-ethylhexanoate

C12H24O2 (200.1776)


   

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

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

C12H24O2 (200.1776)


   

2-nonyl-1,3-dioxolane

2-nonyl-1,3-dioxolane

C12H24O2 (200.1776)


   

2-Methylpentyl 2-methylpentanoate

2-Methylpentyl 2-methylpentanoate

C12H24O2 (200.1776)


   

Butyl 2-Ethylhexanoate

Butyl 2-Ethylhexanoate

C12H24O2 (200.1776)


   

2-butyl Octanedioic acid

2-butyl Octanedioic acid

C12H24O2 (200.1776)


   

2-ethyldecanoic acid

2-ethyldecanoic acid

C12H24O2 (200.1776)


   

(R)-(+)-4-Hexyl-2,2-dimethyl-[1,3]-dioxane

(R)-(+)-4-Hexyl-2,2-dimethyl-[1,3]-dioxane

C12H24O2 (200.1776)


   

9-methylundecanoic acid

9-methylundecanoic acid

C12H24O2 (200.1776)


   

Decanoic acid,2,2-dimethyl-

Decanoic acid,2,2-dimethyl-

C12H24O2 (200.1776)


   

1,1-Diisopropoxycyclohexane

1,1-Diisopropoxycyclohexane

C12H24O2 (200.1776)


   

nonisyl propionate

nonisyl propionate

C12H24O2 (200.1776)


   

(5-methyl-2-propan-2-ylhexyl) acetate

(5-methyl-2-propan-2-ylhexyl) acetate

C12H24O2 (200.1776)


   

lauric acid-1,12-13c2

lauric acid-1,12-13c2

C12H24O2 (200.1776)


   

Dodecanoic acid-1,2-13C2

Dodecanoic acid-1,2-13C2

C12H24O2 (200.1776)


   

7-HYDROXY-6-DODECANONE

7-HYDROXY-6-DODECANONE

C12H24O2 (200.1776)


   

2-butyloctanoic acid

2-butyloctanoic acid

C12H24O2 (200.1776)


   

decyl oxyacetaldehyde

decyl oxyacetaldehyde

C12H24O2 (200.1776)


   

propyl nonanoate

propyl nonanoate

C12H24O2 (200.1776)


   

Aminopeptidase

Aminopeptidase

C12H24O2 (200.1776)


   

(3E)-5-Isopropyl-3-noneen-2,8-diol

(3E)-5-Isopropyl-3-noneen-2,8-diol

C12H24O2 (200.1776)


   

5-Isopripyl-8-hydroxy-2-nonanone

5-Isopripyl-8-hydroxy-2-nonanone

C12H24O2 (200.1776)


   

Heptanoic acid,2-pentyl-

Heptanoic acid,2-pentyl-

C12H24O2 (200.1776)


   

Isoamyl heptanoate

3-Methylbutyl heptanoate

C12H24O2 (200.1776)


   

(4R)-4-Hexyl-2,2-dimethyl-1,3-dioxane

(4R)-4-Hexyl-2,2-dimethyl-1,3-dioxane

C12H24O2 (200.1776)


   

isodecyl acetate

isodecyl acetate

C12H24O2 (200.1776)


   

citronellal dimethyl acetal

8,8-Dimethoxy-2,6-dimethyloct-2-ene

C12H24O2 (200.1776)


   

2-propylnonanoic acid

2-propylnonanoic acid

C12H24O2 (200.1776)


   

citrus ocimenol acetate

citrus ocimenol acetate

C12H24O2 (200.1776)


   

3-Octyl butyrate

3-Octyl butyrate

C12H24O2 (200.1776)


   

3-Methylundecanoic acid

3-Methylundecanoic acid

C12H24O2 (200.1776)


A methyl-branched fatty acid that is undecanoic acid bearing a methyl substituent at position 3.

   

Heptyl isovalerate

Heptyl isovalerate

C12H24O2 (200.1776)


   

1-Hexanol, 3,5,5-trimethyl-, propanoate

1-Hexanol, 3,5,5-trimethyl-, propanoate

C12H24O2 (200.1776)


   

trans-2-Octenal diethyl acetal

trans-2-Octenal diethyl acetal

C12H24O2 (200.1776)


   

1-Ethyl-1-methylheptyl acetate

1-Ethyl-1-methylheptyl acetate

C12H24O2 (200.1776)


   

C-1297

[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM

C12H24O2 (200.1776)


Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

   

AI3-30983

Caprylic acid n-butyl ester

C12H24O2 (200.1776)


   

AI3-11098

Decyl alcohol, acetate (6ci)

C12H24O2 (200.1776)


   

AI3-24204

Butyric acid, octyl ester (8ci)

C12H24O2 (200.1776)


   

WLN: 6OV5

Hexanoic acid, hexyl ester

C12H24O2 (200.1776)


   

WLN: 9VO2

4-02-00-01044 (Beilstein Handbook Reference)

C12H24O2 (200.1776)


   

U0250_SIGMA

3-02-00-00858 (Beilstein Handbook Reference)

C12H24O2 (200.1776)


Methyl undecanoate is an internal standard in gas-liquid chromatogram[1]. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].

   

AI3-31003

Octanoic acid, 2-methylpropyl ester

C12H24O2 (200.1776)


   

Hexanoic acid, 3,5,5-trimethyl-, propyl ester

Hexanoic acid, 3,5,5-trimethyl-, propyl ester

C12H24O2 (200.1776)


   

Isovaleric acid heptan-3-yl ester

Isovaleric acid heptan-3-yl ester

C12H24O2 (200.1776)


   

Propionic acid 1-tert-butyl-2,2-dimethyl-propyl ester

Propionic acid 1-tert-butyl-2,2-dimethyl-propyl ester

C12H24O2 (200.1776)


   

HEXYL HEXANOATE

HEXYL HEXANOATE

C12H24O2 (200.1776)


A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine.

   

Amyl Heptanoate

Pentyl heptanoate

C12H24O2 (200.1776)


   

Isobutyl octanoate

Octanoic acid,2-methylpropyl ester

C12H24O2 (200.1776)


   

4-Methyl-2-octyl-1,3-dioxolane

4-Methyl-2-octyl-1,3-dioxolane

C12H24O2 (200.1776)


   

Isopropyl nonanoate

Isopropyl nonanoate

C12H24O2 (200.1776)


   

5-isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol

NA

C12H24O2 (200.1776)


{"Ingredient_id": "HBIN011727","Ingredient_name": "5-isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol","Alias": "NA","Ingredient_formula": "C12H24O2","Ingredient_Smile": "CC(C)C(C=CC(C)O)(C(C)(C)C)O","Ingredient_weight": "200.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40987","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5363341","DrugBank_id": "NA"}

   

(4s)-4,9-dimethyldecanoic acid

(4s)-4,9-dimethyldecanoic acid

C12H24O2 (200.1776)


   

pentanoic acid, heptyl ester

pentanoic acid, heptyl ester

C12H24O2 (200.1776)


   

8-hydroxy-2,5,8-trimethylnonan-4-one

8-hydroxy-2,5,8-trimethylnonan-4-one

C12H24O2 (200.1776)


   

8-hydroxy-5-isopropylnonan-2-one

8-hydroxy-5-isopropylnonan-2-one

C12H24O2 (200.1776)


   

(2s,3e,5r,8s)-5-isopropylnon-3-ene-2,8-diol

(2s,3e,5r,8s)-5-isopropylnon-3-ene-2,8-diol

C12H24O2 (200.1776)


   

(5r,8s)-8-hydroxy-5-isopropylnonan-2-one

(5r,8s)-8-hydroxy-5-isopropylnonan-2-one

C12H24O2 (200.1776)


   

5-isopropylnon-3-ene-2,8-diol

5-isopropylnon-3-ene-2,8-diol

C12H24O2 (200.1776)