Exact Mass: 184.1827
Exact Mass Matches: 184.1827
Found 459 metabolites which its exact mass value is equals to given mass value 184.1827,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lauric aldehyde
Dodecanal is a long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a plant metabolite. It is a 2,3-saturated fatty aldehyde, a medium-chain fatty aldehyde and a long-chain fatty aldehyde. It derives from a hydride of a dodecane. Dodecanal is a natural product found in Mikania cordifolia, Zingiber mioga, and other organisms with data available. Occurs in peel oil from Citrus subspecies and kumquatand is also present in ginger, coriander, chervil and scallop. Flavouring agent. Lauric aldehyde is found in many foods, some of which are mollusks, rocket salad (sspecies), sweet orange, and fruits. Lauric aldehyde is found in citrus. Lauric aldehyde occurs in peel oil from Citrus species and kumquat. Also present in ginger, coriander, chervil and scallop. Lauric aldehyde is a flavouring agent. A long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group.
xi-gamma-Undecalactone
(±)-5-Heptyldihydro-2(3H)-furanone is a flavouring ingredient. [Raw Data] CB092_gamma-Undecalactone_pos_20eV_CB000039.txt [Raw Data] CB092_gamma-Undecalactone_pos_30eV_CB000039.txt [Raw Data] CB092_gamma-Undecalactone_pos_10eV_CB000039.txt
Undecylenic acid
Undecylenic acid, also known as 10-undecylenate or omega-undecenoic 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. Undecylenic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Undecylenic acid is found in black elderberry. Undecylenic acid is a flavouring ingredient and is a sweet and woody-tasting compound. Undecylenic acid was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID:31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health. Undecylenic acid is used in the production of the bioplastic Nylon-11, in the treatment of fungal infections in the skin, and as a precursor in the manufacture of a wide assortment of pharmaceuticals, cosmetics, perfumes, and personal hygiene products. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use Flavouring ingredient. Undecylenic acid is found in black elderberry. C254 - Anti-Infective Agent > C514 - Antifungal Agent Same as: D02159 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal. 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal.
Tridecane
Tridecane appears as an oily straw yellow clear liquid with a hydrocarbon odor. Flash point 190-196 °F. Specific gravity 0.76. Boiling point 456 °F. Repeated or prolonged skin contact may irritate or redden skin, progressing to dermatitis. Exposure to high concentrations of vapor may result in headache and stupor. Tridecane is a straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. It has a role as a plant metabolite and a volatile oil component. Tridecane is a natural product found in Dryopteris assimilis, Thyanta perditor, and other organisms with data available. Tridecane is an alkane hydrocarbon with the chemical formula CH3(CH2)11CH3. Tridecane is found in allspice and it is also isolated from lime oil. It is a light, combustible colourless liquid that is used in the manufacture of paraffin products, the paper processing industry, in jet fuel research and in the rubber industry; furthermore, tridecane is used as a solvent and distillation chaser. n-tridecane is also one of the major chemicals secreted by some insects as a defense against predators. Tridecane has 802 constitutional isomers A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. Isolated from lime oil Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2]. Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2].
Citronellyl formate
Citronellyl formate is found in citrus. Citronellyl formate occurs in essential oils of geranium, mandarin, satsuma, kumquat and other species Also present in lovage root and honey. Citronellyl formate is a flavouring ingredient. Occurs in essential oils of geranium, mandarin, satsuma, kumquat and other subspecies Also present in lovage root and honey. Flavouring ingredient. Citronellyl formate is found in citrus and herbs and spices.
FA 11:1
An undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent Same as: D02159 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal. 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal.
undecylenic acid
10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal. 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal.
6-Hexyltetrahydro-2H-pyran-2-one
(±)-6-Hexyltetrahydro-2H-pyran-2-one is a flavouring reagent. It is used as a food additive
(x)-1-Nonen-3-yl acetate
(x)-1-Nonen-3-yl acetate is found in green vegetables. (x)-1-Nonen-3-yl acetate is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). (x)-1-Nonen-3-yl acetate is found in green vegetables.
(Z)-3-Methyl-3-decenoic acid
(Z)-3-Methyl-3-decenoic acid is a constituent of the fragrance oil of cassie (Acacia farnesiana) Constituent of the fragrance oil of cassie (Acacia farnesiana).
(Z)-3-Methyl-4-decenoic acid
(Z)-3-Methyl-4-decenoic acid occurs in fragrance of the oil of cassie (Acacia farnesiana Occurs in fragrance of the oil of cassie (Acacia farnesiana)
2-Hexenyl valerate
2-Hexenyl valerate is a flavouring ingredient. Flavouring ingredient
2-Dodecanone
2-Dodecanone, also known as dodecan-2-one or dodecanone-(2) is a 12-carbon long-chain aliphatic molecule that belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. 2-Dodecanone is also considered to be a long-chain methyl ketone. 2-Dodecanone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. It has a low melting point of just 19 oC. 2-Dodecanone has a citrus, floral, or fruity aroma which is contrasted with a fatty taste. 2-Dodecanone has been found in the volatile components of human feces (PMID: 21970810) and saliva (PMID: 24421258). It has also been linked celiac disease in children (PMID: 21970810). Outside of the human body, 2-dodecanone has been found at levels of up to 1.8 mg/kg in blue cheese, milk and cocoa and up to 2700 mg/kg in hop oil (Humulus lupulus). It has also been detected, but not quantified in, several other oils, such as laurel leaf oil, rue oil (Ruta graveolens) and tomato leaves and trichomes (PMID: 11757742). This could make 2-dodecanone a potential biomarker for the consumption of these foods. 2-Dodecanone is a natural insecticide and exhibits strong insecticidal properties to several insect species including Tribolium castaneum (LD50 = 5.21 ug/adult), Lasioderma serricorne (LD50 = 2.54 ug/adult) and Liposcelis bostrychophila (LD50 = 23.41 ug/cm2) in contact assays (PMID: 31240663). Constituent of essential oil of rue (Ruta graveolens)and is also in hop oil (Humulus lupulus) and tomato leaf oil. 2-Dodecanone is found in many foods, some of which are fats and oils, alcoholic beverages, garden tomato, and herbs and spices.
2-Methyldodecane
2-Methyldodecane is found in alcoholic beverages. 2-Methyldodecane is a constituent of Cicer arietinum (chickpea) and Humulus lupulus (hops)
3-Hexenyl 2-methylbutyrate
3-Hexenyl 2-methylbutyrate 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 .
cis-3-Hexenyl 3-methylbutanoate
cis-3-Hexenyl 3-methylbutanoate is a food flavour. cis-3-Hexenyl 3-methylbutanoate is present in tabasco pepper, bell pepper, black tea, sage, cherimaya, Mentha species, nectarine, lambs lettuce and other plants. Food flavour. Present in tabasco pepper, bell pepper, black tea, sage, cherimaya, Mentha subspecies, nectarine, lambs lettuce and other plants
Methyl citronellate
Methyl citronellate is found in herbs and spices. Methyl citronellate is present in pepper (Piper nigrum) and lemon balm (Melissa officinalis). Methyl citronellate is a flavouring ingredient. Present in pepper (Piper nigrum) and lemon balm (Melissa officinalis). Flavouring ingredient. Methyl citronellate is found in lemon balm and herbs and spices.
Ethyl (E)-2-nonenoate
Ethyl (E)-2-nonenoate is a food preservative (prob. as isomeric mixture with Z-form Food preservative (prob. as isomeric mixture with Z-form).
trans-2-Hexyl-1-cyclopropaneacetic acid
trans-2-Hexyl-1-cyclopropaneacetic acid is a component of cascarilla essential oi
3,3,4-Trimethyldecane
3,3,4-Trimethyldecane is found in fruits. 3,3,4-Trimethyldecane is a constituent of the fruit of Prunus domestica (plum)
2,6,8-Trimethyldecane
2,6,8-Trimethyldecane is found in herbs and spices. 2,6,8-Trimethyldecane is a constituent of the flowers of Osmanthus fragrans (sweet osmanthus)
2,6,7-Trimethyldecane
2,6,7-Trimethyldecane is found in pulses. 2,6,7-Trimethyldecane is a constituent of Medicago sativa (alfalfa)
2,3,4-Trimethyldecane
2,3,4-Trimethyldecane is found in tea. 2,3,4-Trimethyldecane is a constituent of the volatile oil of ginseng
2,2,9-Trimethyldecane
2,2,9-Trimethyldecane is found in fruits. 2,2,9-Trimethyldecane is a constituent of the fruit of Prunus domestica (plum)
2,2,8-Trimethyldecane
2,2,8-Trimethyldecane is found in fruits. 2,2,8-Trimethyldecane is a constituent of the flowers of Prunus armeniaca (apricot) and Prunus salicina (Japanese plum)
2,2,4-Trimethyldecane
2,2,4-Trimethyldecane is found in alcoholic beverages. 2,2,4-Trimethyldecane is a constituent of the essential oil of hops (Humulus lupulus)
Ethyl 3-cyclohexylpropionate
Ethyl 3-cyclohexylpropionate is a flavouring ingredien Flavouring ingredient
cis-3-Hexenyl pentanoate
cis-3-Hexenyl pentanoate is found in herbs and spices. cis-3-Hexenyl pentanoate is a flavouring ingredient. cis-3-Hexenyl pentanoate is a constituent of Spanish oregano (Coridothymus capitatus), tabasco pepper (Capsicum frutescens Flavouring ingredient. Constituent of Spanish oregano (Coridothymus capitatus), tabasco pepper (Capsicum frutescens). cis-3-Hexenyl pentanoate is found in herbs and spices.
2-Methylundecanal
(±)-2-Methylundecanal is a flavouring ingredien It is used as a food additive .
2,3-Undecanedione
2,3-Undecanedione is a flavouring ingredien Flavouring ingredient
(E)-3-Heptenyl 2-methylpropanoate
(E)-3-Heptenyl 2-methylpropanoate is a flavouring ingredient. Flavouring ingredient
Methyl 2-decenoate
2-Decenoic acid; (E)-form, Me ester is a flavouring ingredient. Flavouring ingredient
6-Methyl-5-hepten-2-one propyleneglycol acetal
6-Methyl-5-hepten-2-one propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
cis-3-Octenyl propionate
cis-3-Octenyl propionate 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 .
Pent-2-enyl hexanoate
Pent-2-enyl hexanoate 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 .
Prenyl caproate
Prenyl caproate 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 .
trans-2-Hexenyl 2-methylbutyrate
trans-2-Hexenyl 2-methylbutyrate 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 .
(+/-)-2,4,8-Trimethyl-7-nonen-2-ol
(+/-)-2,4,8-Trimethyl-7-nonen-2-ol 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 .
Cyclohexyl 3-methylbutanoate
Cyclohexyl 3-methylbutanoate is used in fruit food flavourin It is used in fruit food flavouring.
Cyclohexyl pentanoate
Cyclohexyl pentanoate is used in blackcurrant fruit flavourin It is used in blackcurrant fruit flavouring.
5-Hexyldihydro-5-methyl-2(3H)-furanone
(±)-5-Hexyldihydro-5-methyl-2(3H)-furanone is a flavouring ingredien Flavouring ingredient
Rhodinyl formate
Rhodinyl formate is a flavouring ingredient. Flavouring ingredient
5-Hexyldihydro-4-methyl-2(3H)-furanone
5-Hexyldihydro-4-methyl-2(3H)-furanone is found in citrus. 5-Hexyldihydro-4-methyl-2(3H)-furanone is isolated from orange juice. Isolated from orange juice. 5-Hexyldihydro-4-methyl-2(3H)-furanone is found in citrus.
xi-3-Methyldodecane
xi-3-Methyldodecane is found in nuts. xi-3-Methyldodecane is a constituent of chick pea (Cicer arientinum) and coconut. Constituent of chick pea (Cicer arientinum) and coconut. xi-3-Methyldodecane is found in pulses and nuts.
2-Hexenyl isovalerate
2-Hexenyl isovalerate is a flavouring ingredient. Flavouring ingredient
cis-3-Hexenyl 2-methylbutanoate
cis-3-Hexenyl 2-methylbutanoate is a food flavour.
5-Octenyl propanoate
5-Octenyl propanoate is used in food flavouring. It is used in food flavouring
2-Propenyl octanoate
2-Propenyl octanoate is an imitation pineapple flavour. Imitation pineapple flavour
Hex-trans-3-enyl 2-methyl-butyrate
Hex-trans-3-enyl 2-methyl-butyrate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Hex-trans-3-enyl 2-methyl-butyrate can be found in tea, which makes hex-trans-3-enyl 2-methyl-butyrate a potential biomarker for the consumption of this food product.
3-Methylpentyl angelate
3-methylpentyl angelate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. 3-methylpentyl angelate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-methylpentyl angelate can be found in roman camomile, which makes 3-methylpentyl angelate a potential biomarker for the consumption of this food product.
4,6-DIMETHYLUNDECANE
An alkane that is undecane substituted by methyl groups at positions 4 and 6.
(1S,3S,4R,6S)-1,3-diethyl-4,6-dimethyl-2,7-dioxabicyclo[2.2.1]heptane
UNII:ERL32M2M38
[Raw Data] CB091_delta-Undecalactone_pos_20eV_CB000038.txt [Raw Data] CB091_delta-Undecalactone_pos_10eV_CB000038.txt
undecenoic acid
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal. 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal.
2-undecenoic acid
An undecenoic acid having its double bond in the 2-position.
2,6,8-Trimethyldecane
An alkane that is decane substituted by a methyl group at positions 2,6 and 8. It is a combustion product of natural gas.
6-Methyl-5-hepten-2-one propyleneglycol acetal
(2S,6R,8S)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane
(2S,6S,8S)-2,8-Dimethyl-1,7-dioxaspiro[5.5]undecane
4-tert-Butylcyclohexanecarboxylic acid
A monocarboxylic acid that is cyclohexanecarboxylic acid substituted by a tert-butyl group at position 4 (the trans-stereoisomer).
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol(SALTDATA: FREE)
Piperazine, 2-(1-methylethyl)-5-(2-methylpropyl)-, (2S,5S)- (9CI)
N-[(1-Isobutylpiperidin-4-yl)methyl]-N-methylamine
Cyclohexanol,3,3,5-trimethyl-, 1-acetate, (1R,5R)-rel-
1,2,2,5,5-PENTAMETHYL-4-ETHYL-3-IMIDAZOLINE-3-OXIDE
methyl 2-methyl-3-pentylcyclopropane-1-carboxylate
Piperazinone, 1-ethyl-5-(2-methylpropyl)-, (S)- (9CI)
1-(2,6-Dimethyl-1-piperidinyl)-2-methyl-2-propanamine
2-butan-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2,2-Dimethyl-1-[(3S)-3-methyl-1-piperazinyl]-1-propanone
2-(tert-Butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2,2-DIMETHYL-3-(4-METHYLPIPERAZIN-1-YL)PROPIONALDEHYDE
rel-(4R,5R)-5-Hexyldihydro-4-methyl-2(3H)-furanone
(2S,5S)-1-cyclopenta-2,4-dien-1-yl-2,5-dimethylphospholane,iron(2+)
1,1Bis((2R,5R)-2,5-dimethylphospholano)ferrocene, min. 97
Guanazodine
C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
3,8-dimethylundecane
An alkane that is undecane substituted by methyl groups at positions 3 and 8. Metabolite observed in cancer metabolism.
2,4,6-Trimethyldecane
An alkane that is decane substituted by a methyl group at positions 2,4 and 6.
Tridekan
Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2]. Tridecane is a short chain aliphatic hydrocarbon containing 13 carbon atoms. Tridecane is an volatile oil component isolated from essential oil of Piper aduncum L. Tridecane is a stress compound released by the brown marmorated stink bugs stress compound[1][2].
Cruex
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal. 10-Undecenoic acid is used as a starting agent in the synthesis of Pheromone (11Z)-hexadecenal.
xi-gamma-Undecalactone
(±)-5-Heptyldihydro-2(3H)-furanone is a flavouring ingredient. Flavouring ingredient
6-Octenoic acid, 3,7-dimethyl-, methyl ester, (S)-
(5R)-5-isopropenyl-1,2-dimethylcyclohexane-1-hydroperoxide
cis-3-Hexenyl isovalerate
A 3-hexenyl isovalerate in which the double bond adopts cis-configuration.
trans-undec-2-enoic acid
A 2-undecenoic acid in which the olefinic double bond has E configuration.
ethyl 3-nonenoate
A fatty acid ethyl ester obtained by the formal condensation of 3-nonenoic acid with ethanol.
3-Hexenyl isovalerate
A fatty acid ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of hex-3-en-1-ol.
trans-3-hexenyl isovalerate
A 3-hexenyl isovalerate in which the double bond adopts trans-configuration.
3-ethyl-3-methyldecane
An alkane that is decane in which the two methylene hydrogens at position 3 have been replaced by a methyl group and an ethyl group.
2-Hexenyl isovalerate
A fatty ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of 2-hexen-1-ol.
(2E)-2-hexenyl isovalerate
A 2-hexenyl isovalerate in which the double bond adopts a trans-configuration.
(1s,2r,4s)-2-(3-methylbut-2-en-1-yl)cyclohexane-1,4-diol
(1s,3r,5r,7s)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
1,1,2,2,6,6-hexamethyl-4-oxopiperidinium
{"Ingredient_id": "HBIN000300","Ingredient_name": "1,1,2,2,6,6-hexamethyl-4-oxopiperidinium","Alias": "NA","Ingredient_formula": "C11H22NO+","Ingredient_Smile": "CC1(CC(=O)CC([N+]1(C)C)(C)C)C","Ingredient_weight": "184.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9652","PubChem_id": "13802373","DrugBank_id": "NA"}
5,5-Dimethylundecane
{"Ingredient_id": "HBIN011077","Ingredient_name": "5,5-Dimethylundecane","Alias": "NA","Ingredient_formula": "C13H28","Ingredient_Smile": "CCCCCCC(C)(C)CCCC","Ingredient_weight": "184.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40579","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "28472","DrugBank_id": "NA"}
