Exact Mass: 162.0905
Exact Mass Matches: 162.0905
Found 500 metabolites which its exact mass value is equals to given mass value 162.0905,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Hydroxylysine
5-Hydroxylysine (Hyl), also known as hydroxylysine or 5-Hydroxy-L-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. Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. 5-Hydroxylysine is a hydroxylated derivative of the amino acid lysine that is present in certain collagens, the chief structural protein of mammalian skin and connective tissue. 5-Hydroxylysine arises from a post-translational hydroxy modification of lysine and is biosynthesized from lysine via oxidation by lysyl hydroxylase enzymes. 5-Hydroxylysine can then undergo further modification by glycosylation, giving rise to galactosyl hydroxylysine (GH) and glucosylgalactosyl hydroxylysine (GGH). These glycosylated forms of hydroxylysine contribute to collagen’s unusual toughness and resiliency. The monoglycosylated, galactosyl-hydroxylysine is enriched in bone compared with the disaccharide form, glucosyl-galactosyl-hydroxylysine, which is the major form in skin. 5-Hydroxylysine exists in all eukaryotes, ranging from yeast to humans. It was first discovered in 1921 by Donald Van Slyke. Free forms of hydroxylysine arise through proteolytic degradation of collagen. Urinary excretion of 5-Hydroxylysine and its glycosides can be used as an index of collagen degradation, with high levels being indicative of more rapid or extensive collagen degradation (often seen in patients with thermal burns, Pagets disease of bone or hyperphosphatasia) (PMID: 404321). One of the natural protein-bound amino acids. Occurs free in plant tissues, e.g. Medicago sativa (alfalfa)
2-Deoxystreptamine
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents KEIO_ID D061
1-Phenyl-1-pentanone
1-Phenyl-1-pentanone is found in green vegetables. 1-Phenyl-1-pentanone is found in celer Found in celery
Norcotinine
Norcotinine is a metabolite of nicotine. It has been detected in smokers urine (about 1\\% of total nicotine and metabolites). Two pathways for its formation are possible, demethylation of cotinine or oxidative metabolism of nornicotine. Animal and human studies have demonstrated the existence of both of these pathways. [HMDB] Norcotinine is a metabolite of nicotine. It has been detected in smokers urine (about 1\\% of total nicotine and metabolites). Two pathways for its formation are possible, demethylation of cotinine or oxidative metabolism of nornicotine. Animal and human studies have demonstrated the existence of both of these pathways.
3-Mercapto-3-methyl-1-butyl acetate
3-Mercapto-3-methyl-1-butyl acetate is found in fruits. 3-Mercapto-3-methyl-1-butyl acetate is present in passion fruit volatiles. Present in passion fruit volatiles. 3-Mercapto-3-methyl-1-butyl acetate is found in fruits.
(±)-2-Methyl-3-(4-methylphenyl)propanal
(±)-2-Methyl-3-(4-methylphenyl)propanal is a flavouring ingredient; commercial material FEMA 2748. Contains some ortho- and a trace of meta-isomer Flavouring ingredient; coml. material FEMA 2748contains some ortho- and a trace of meta-isomer
4'-Isopropylacetophenone
4-Isopropylacetophenone is a flavouring ingredien Flavouring ingredient
(S1)-Methoxy-3-heptanethiol
(S1)-Methoxy-3-heptanethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Methyl-4-phenylbutyraldehyde
(±)-2-Methyl-4-phenylbutanal is a flavouring ingredient. Flavouring ingredient
Dimethicone
Dimethicone, also known as ((CH3)3Si)2O or HMDSO, belongs to the class of organic compounds known as disiloxanes. These are organosilicon compounds with the general formula H[Si](R)(R)O[Si](H)(R)R (R= organyl, R-R= H or organyl). Dimethicone is found, on average, in the highest concentration within a few different foods, such as carobs, lettuces, and common salsifies. Dimethicone has also been detected, but not quantified, in several different foods, such as black walnuts, sweet bay, asparagus, ceylon cinnamons, and hyssops. This could make dimethicone a potential biomarker for the consumption of these foods. An organosiloxane consisting of two trimethylsilyl groups covalently bound to a central oxygen. It is used in foods as a defoaming agent. Dimethicone is found in many foods, some of which are american pokeweed, hyssop, tea, and sweet bay. D001697 - Biomedical and Dental Materials
3-Methyl-2-phenylbutanal
(±)-3-Methyl-2-phenylbutanal is a flavouring ingredient. It is used as a food additive .
4-(4-Methylphenyl)-2-butanone
4-(4-Methylphenyl)-2-butanone is a flavouring ingredien Flavouring ingredient
Ethyl 4-(methylthio)butyrate
Ethyl 4-(methylthio)butyrate is a flavouring agent. Flavouring agent
Ethyl 3-(methylthio)butanoate
Ethyl 3-(methylthio)butanoate is used in food flavouring of baked goods etc.
4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone
(±)-4,4alpha,5,6-Tetrahydro-7-methyl-2(3H)-naphthalenone is a flavouring ingredient for foods and chewing gum. It is used as a food additive
(±)-2-Methyl-3-(2-methylphenyl)propanal
(±)-2-Methyl-3-(2-methylphenyl)propanal is a component of *FEMA 2748* together with m- and p-isomers. (±)-2-Methyl-3-(2-methylphenyl)propanal is a flavouring ingredient for baked goods, confectionery and nonalcoholic beverages. Component of *FEMA 2748* together with m- and p-isomers. Flavouring ingredient for baked goods, confectionery and nonalcoholic beverages
4-Isopropylphenylacetaldehyde
4-Isopropylphenylacetaldehyde is used in perfumery and food flavouring. It is used in perfumery and food flavouring
2-(1-Ethoxyethoxy)propanoic acid
2-(1-Ethoxyethoxy)propanoic acid belongs to the family of Carboxylic Acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
N-Nitrosobis(2-hydroxypropyl)amine
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
3-(2-Hydroxy-1-methyl-2-nitrosohydrazino)-N-methyl-1-propanamine
2,4-Dimethylpropiophenone
2,4-dimethylpropiophenone 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. 2,4-dimethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-dimethylpropiophenone can be found in tea, which makes 2,4-dimethylpropiophenone a potential biomarker for the consumption of this food product.
p-Ethylpropiophenone
P-ethylpropiophenone 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. P-ethylpropiophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylpropiophenone can be found in tea, which makes P-ethylpropiophenone a potential biomarker for the consumption of this food product.
(+/-)-Ethyl 3-mercapto-2-methylbutanoate
It is used as a food additive .
Tox21_113911
5-hydroxy-1-tetralone can be used as a fluorescent labeling reagent for the determination of glycosphingolipid from biological samples[1].
(+)-2,3-Dihydro-6-methyl-3-methylene-2-benzofuranol
(R)-(E)-2-(2,4-Hexadiynylidene)tetrahydro-3-furanol
9-Hydroxy-undec-2t-en-4,6-diin|9-Undecene-5,7-diyn-3-ol|undec-9t-ene-5,7-diyn-3-ol
2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid
(4Z)-lachnophyllumlactone|(Z)-form-Lachophllum lactone|Lachnophyllum lactone|trans-Lachnophyllumlacton
2,6-Dideoxy-3-C-methl-arabino-hdexose-D-Pyranose-form|2,6-Dideoxy-3-C-methyl-ribo-hexose-D-form|2,6-Dideoxy-3-C-methyl-xylo-hexose,9CI-L-form|Mycarose|Olivomycose.
4,6,8-Decatriyne-1,2-diol,9CI|4,6,8-Decatriyne-1,2-diol,9CI-(-)-form|Deca-4,6,8-triin-1,2-diol|Deca-4,6,8-triyn-1,2-diol|deca-4,6,8-triyne-1,2-diol
undec-10-ene-6,8-diyn-5-ol|Undecaen-(1)-diin-(3,5)-ol-(7)
(3Xi,4Ra)-deca-4,5-diene-7,9-diyne-1,3-diol|Deca-4,5-dien-7,9-diin-1,3-diol
5-hydroxylysine
The lysine derivative that is 2,6-diamino-5-hydroxyhexanoic acid, a chiral alpha-amino acid. KEIO_ID H064
DL-5-Hydroxylysine
Acquisition and generation of the data is financially supported in part by CREST/JST.
isosafrole
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.089
4-Methylcinnamic acid
CONFIDENCE standard compound; INTERNAL_ID 111
Methylcinnamate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1066 Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1]. Methyl cinnamate (Methyl 3-phenylpropenoate), an active component of Zanthoxylum armatum, is a widely used natural flavor compound. Methyl cinnamate (Methyl 3-phenylpropenoate) possesses antimicrobial activity and is a tyrosinase inhibitor that can prevent food browning. Methyl cinnamate (Methyl 3-phenylpropenoate) has antiadipogenic activity through mechanisms mediated, in part, by the CaMKK2-AMPK signaling pathway[1].
Valerophenone
An aromatic ketone that consists of benzene substituted by a pentanoyl group. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 19
Methyl cinnamate
A methyl ester resulting from the formal condensation of methyl cinnamic acid with methanol. It is found naturally in the essential oils of Alpinia and Basil leaf oil, and widely used in the flavor and perfume industries. Annotation level-3
safrole
A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.
6-ETHYL-5-METHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
Pyrimidine,5-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-
3-Pyridinecarbonitrile,1,2-dihydro-1,4,6-trimethyl-2-oxo-
1H-Benzimidazole-2-methanol,alpha-methyl-,(alphaS)-(9CI)
2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-3,3-dimethyl-
2-[tris(trideuteriomethyl)azaniumyl]acetate,hydrochloride
5,6,7,8-tetrahydro-1,8-naphthyridine-2-carbaldehyde
Phenidone
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents Phenidone, an orally active dual inhibitor of cyclooxygenase (COX) and lipoxygenase (LOX), ameliorates rat paralysis in experimental autoimmune encephalomyelitis. Phenidone is a potent hypotensive agent in the spontaneously hypertensive rat[1][2]. Phenidone is used as a photographic developer[3].
Pyrrolo[1,2-a]pyrazine, octahydro-, hydrochloride (1:1), (8aR)-
Pyrrolo[1,2-a]pyrazine, octahydro-, hydrochloride (1:1), (8aS)-
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine,hydrochloride
Poly(dimethylsiloxane-co-diphenylsiloxane), trimethylsilyl terminated
2H-Benzimidazol-2-one,1,3-dihydro-4,6-dimethyl-(9CI)
cis-5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride
3-PYRIDINECARBONITRILE, 1,2-DIHYDRO-6-(1-METHYLETHYL)-2-OXO-
1H-Isoindol-1-one,7-amino-2,3-dihydro-2-methyl-(9CI)
4-Hydroxy-l-lysine
A hydroxy-L-lysine that is L-lysine carrying a hydroxy substituent at position 4.
N,N-dihydroxy-L-isoleucinate
An N,N-dihydroxy-alpha-amino-acid anion resulting from removal of a proton from the carboxylic acid group of N,N-dihydroxy-L-isoleucine.
(2S,3R)-Butan-1,2,3,4-tetraol 2,4-isopropylidene acetal
N-Bis(2-hydroxypropyl)nitrosamine
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
butyl 2-(methylsulfanyl)acetate
A carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol.
(3S)-3-hydroxy-L-lysine
A L-lysine derivative that is L-lysine substituted at position 3 by a hydroxy group (the 3S-erythro-stereoisomer).
erythro-5-Hydroxy-L-lysine
A 5-hydroxylysine consisting of L-lysine having an (R)-hydroxy group at the 5-position.
(4R)-4-hydroxy-L-lysine
A 4-hydrox-L-lysine that is L-lysine substituted at position 4 by a hydroxy group (the 4R-threo-stereoisomer).
N(6)-hydroxy-L-lysine zwitterion
Zwitterionic form of N(6)-hydroxy-L-lysine having an anionic carboxy group and a cationic amino group; major species at pH 7.3.
6-hydroxymyosmine
A monohydroxypyridine that is myosmine substituted by a hydroxy group at position 6; major microspecies at pH 7.3. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7.
2,2-dimethylchroman
{"Ingredient_id": "HBIN003707","Ingredient_name": "2,2-dimethylchroman","Alias": "NA","Ingredient_formula": "C11H14O","Ingredient_Smile": "CC1(CCC2=CC=CC=C2O1)C","Ingredient_weight": "162.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "136936","DrugBank_id": "NA"}
