Exact Mass: 204.1109
Exact Mass Matches: 204.1109
Found 273 metabolites which its exact mass value is equals to given mass value 204.1109,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone
4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)
Triethylenemelamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Plastoquinone
Plastoquinone is a member of the class of compounds known as prenylquinones. Prenylquinones are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. Plastoquinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Plastoquinone can be found in barley, which makes plastoquinone a potential biomarker for the consumption of this food product. Plastoquinone (PQ) is an isoprenoid quinone molecule involved in the electron transport chain in the light-dependent reactions of photosynthesis. The most common form of plastoquinone, known as PQ-A or PQ-9, is a 2,3-dimethyl-1,4-benzoquinone molecule with a side chain of nine isoprenyl units. There are other forms of plastoquinone, such as ones with shorter side chains like PQ-3 (which has 3 isoprenyl side units instead of 9) as well as analogs such as PQ-B, PQ-C, and PQ-D, which differ in their side chains. The benzoquinone and isoprenyl units are both nonpolar, anchoring the molecule within the inner section of a lipid bilayer, where the hydrophobic tails are usually found .
2-Phenylethyl 3-methyl-2-butenoate
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
N6-Acetyl-5S-hydroxy-L-lysine
N6-Acetyl-5S-hydroxy-L-lysine is found in root vegetables. N6-Acetyl-5S-hydroxy-L-lysine is produced by Beta vulgaris (sugar beet). Production by Beta vulgaris (sugar beet). N6-Acetyl-5S-hydroxy-L-lysine is found in root vegetables.
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is found in fats and oils. 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran is a constituent of Helianthus annuus (sunflower)
3-Isovalidene-3alpha,4-dihydrophthalide
3-Isovalidene-3alpha,4-dihydrophthalide is found in green vegetables. 3-Isovalidene-3alpha,4-dihydrophthalide is a odorous constituent of celery stem and leaf (Apium graveolens Odorous constituent of celery stem and leaf (Apium graveolens). 3-Isovalidene-3alpha,4-dihydrophthalide is found in wild celery and green vegetables.
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits. 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is an alkaloid from Morus alba (white mulberry). Alkaloid from Morus alba (white mulberry). 3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide is found in fruits.
cis-3-Hexenyl benzoate
cis-3-Hexenyl benzoate is found in fruits. cis-3-Hexenyl benzoate is a constituent of black tea aroma. Also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. cis-3-Hexenyl benzoate is a flavouring agent. Constituent of black tea aromaand is also present in bilberry, lingon berry, cowberry and feijoa fruit and peel. Flavouring agent. cis-3-Hexenyl benzoate is found in tea and fruits.
Serylvaline
Serylvaline is a dipeptide composed of serine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Valylserine
Valylserine is a dipeptide composed of valine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Butyl cinnamate
Butyl cinnamate is a flavouring ingredient. Flavouring ingredient
Phenethyl tiglate
Phenethyl tiglate is a flavouring ingredient. Flavouring ingredient
alpha,alpha-Dimethylanisalacetone
alpha,alpha-Dimethylanisalacetone is a flavouring ingredien Flavouring ingredient
Hexyl 3-mercaptobutanoate
Hexyl 3-mercaptobutanoate 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 .
Benzyl 2,3-dimethyl-2-butenoate
Benzyl 2,3-dimethyl-2-butenoate is a flavouring agent Flavouring agent
Isobutyl cinnamate
Isobutyl cinnamate is a flavouring ingredient. Flavouring ingredient
(S)-3-Mercaptohexyl butyrate
(S)-3-Mercaptohexyl butyrate is found in fruits. (S)-3-Mercaptohexyl butyrate is isolated from yellow passion fruit (Passiflora edulis). (S)-3-Mercaptohexyl butyrate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. (S)-3-Mercaptohexyl butyrate is found in fruits.
3-Mercaptohexyl butyrate
3-Mercaptohexyl butyrate is a flavouring agent. Flavouring agent
Cinnamyl butyrate
Cinnamyl butyrate is found in pomes. Cinnamyl butyrate is used in orange and citrus food flavouring. Cinnamyl butyrate is present in apple. Cinnamyl butyrate is used in orange and citrus food flavouring. It is found in apple.
Cinnamyl isobutyrate
Cinnamyl isobutyrate is used in food flavouring. It is used in food flavouring
N6-Carboxymethyllysine
N6-Carboxymethyllysine (CML), also known as epsilon-(carboxymethyl)lysine, belongs to the class of organic compounds known as L-alpha-amino acids. These are alpha-amino acids which have the L-configuration of the alpha-carbon atom. CML is a Maillard reaction product, or dietary advanced glycation end-products (d-AGE), formed as a result of the thermal treatment of foods. Due to its chemical stability and its ubiquity in foods and in vivo, CML is used as a biomarker for the ingestion of thermally treated foods. CML is metabolized by intestinal bacteria under anaerobic conditions (PMID: 31091091).
N-(3-Amino-2-hydroxy-3-oxopropyl)-L-valine
1-Hydroxycyclohexyl phenyl ketone
D009676 - Noxae > D009153 - Mutagens
[(2S)-6-Amino-1-methoxy-1-oxohexan-2-yl]carbamic acid
(Z)-3-Hexenylbenzoate
(z)-3-hexenylbenzoate is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid (z)-3-hexenylbenzoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-hexenylbenzoate can be found in safflower, which makes (z)-3-hexenylbenzoate a potential biomarker for the consumption of this food product.
4-(3-Methyl-2-butenoxy)-acetophenone
4-(3-methyl-2-butenoxy)-acetophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 4-(3-methyl-2-butenoxy)-acetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-acetophenone can be found in lemon, which makes 4-(3-methyl-2-butenoxy)-acetophenone a potential biomarker for the consumption of this food product.
Validene 4,5-dihydrophthalide
Validene 4,5-dihydrophthalide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Validene 4,5-dihydrophthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Validene 4,5-dihydrophthalide can be found in lovage, which makes validene 4,5-dihydrophthalide a potential biomarker for the consumption of this food product.
a-Hydroxycyclohexylphenylketone
D009676 - Noxae > D009153 - Mutagens
2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
(2R)-2,3-dihydro-6-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one|(2R)-norpterosin B
(E)-Hydronperoxide-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-hydroperoxid
1-[4-hydroxy-3-(3-methyl-1-butenyl)phenyl]ethanone
(E)-4-(1-propen-1-yl)phenyl isobutyrate|4-(prop-(1E)-enyl)phenyl isobutyrate|Anethol-isobutyrate
alpha,alpha-Dimethylbenzenepropanoic acid ethenyl ester
alpha-D-gluco-4-acetylamino-2-amino-2,4,6-trideoxy-hexopyranose; hydrochloride|alpha-D-gluco-4-Acetylamino-2-amino-2,4,6-tridesoxy-hexopyranose; Hydrochlorid
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
3-Isovalidene-3a,4-dihydrophthalide
3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide
Hydrazinecarbothioamide,N-[2-(4-morpholinyl)ethyl]-
Pyrimidine, 4-ethoxy-2-(1H-imidazol-1-yl)-6-methyl- (9CI)
(1R)-1-phenyl-2-(trideuteriomethylamino)propan-1-ol,hydrochloride
2-[(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLOXY)METHYL]OXIRANE
6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-amine
1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-dimethanol
(S)-TERT-BUTYL1-(HYDROXYAMINO)-3-(4-BROMOPHENYL)-1-OXOPROPAN-2-YLCARBAMATE
(1R,2S)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
1H-2-Benzopyran-1-one,4,4-diethyl-3,4-dihydro-(9CI)
2-Methyl-2,7-diazaspiro[4.5]decan-1-one hydrochloride (1:1)
6-METHOXY-1-VINYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL
2-Propenoic acid,3-phenyl-, 1,1-dimethylethyl ester
(1R,2S)-1-phenyl-2-(trideuteriomethylamino)propan-1-ol,hydrochloride
Pyrrolo[1,2-a]pyrazine, 2-(difluoroacetyl)octahydro- (9CI)
2,8-Diazaspiro[4.5]decan-1-one, 2-methyl-, hydrochloride (1:1)
2,8-Diazaspiro[5.5]undecan-1-one, hydrochloride (1:1)
1h-indene-1-acetic acid, 2,3-dihydro-, ethyl ester
8-Fluoro-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
1,2-Dioxetane, 3,4,4-trimethyl-3-[[(trimethylsilyl)oxy]methyl]-
(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidine
(2S)-6-[acetyl(hydroxy)amino]-2-azaniumylhexanoate
L-tryptophanamide(1+)
The conjugate acid of L-tryptophanamide arising from protonation of the alpha-amino group; major species at pH 7.3.
N-(gamma-L-glutamyl)-L-alaninol
A N(5)-alkylglutamine obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-alaninol.
(2S)-2-azaniumyl-5-(2-carboxylatoethylazaniumyl)pentanoate
(E,2S)-2-amino-5-(diaminomethylideneamino)-2-(fluoromethyl)pent-3-enoic acid
N-[(2S,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]ethanimidamide
[(2S)-6-Amino-1-methoxy-1-oxohexan-2-yl]carbamic acid
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylatoethyl]azaniumyl}pentanoate
(4aR,7R,7aS)-7,7a-dimethyl-5,6,7,8-tetrahydro-4aH-cyclopenta[f][1]benzofuran-4-one
[(2-Amino-3-methylbutanethioyl)-methylamino]methylboronic acid
N(6)-carboxymethyl-L-lysine
An L-lysine derivative with a carboxymethyl substituent at the N(6)-position.
N(5)-(L-1-carboxyethyl)-L-ornithine dizwitterion
Dizwitterionic form of N(5)-(L-1-carboxyethyl)-L-ornithine having anionic carboxy groups and cationic amino groups; major species at pH 7.3.
N(6)-acetyl-N(6)-hydroxy-L-lysine zwitterion
Zwitterionic form of N(6)-acetyl-N(6)-hydroxy-L-lysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3
norpinguisone
A natural product found particularly in Porella chilensis and Porella navicularis.
N-(gamma-L-glutamyl)-L-alaninol zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N-(gamma-L-glutamyl)-L-alaninol; major species at pH 7.3.
(4as,7s,7ar)-7,7a-dimethyl-4ah,5h,6h,7h,8h-indeno[5,6-b]furan-4-one
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}-3-hydroxypropanoic acid
n-[(2r,3s,4r,5r,6s)-5-amino-4,6-dihydroxy-2-methyloxan-3-yl]ethanimidic acid
1-[4-hydroxy-3-(3-methylbut-1-en-1-yl)phenyl]ethanone
2-hexenyl benzoate
{"Ingredient_id": "HBIN005685","Ingredient_name": "2-hexenyl benzoate","Alias": "NA","Ingredient_formula": "C13H16O2","Ingredient_Smile": "CCCC=CCOC(=O)C1=CC=CC=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9525","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
