Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:09:28 UTC |
---|
Update date | 2019-11-26 03:04:34 UTC |
---|
Primary ID | FDB011115 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 6-Methylquinoline |
---|
Description | 6-Methylquinoline belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 6-Methylquinoline is a castoreum, civet, and fecal tasting compound. 6-Methylquinoline has been detected, but not quantified in, several different foods, such as black tea, green tea, herbal tea, red tea, and teas (Camellia sinensis). This could make 6-methylquinoline a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6-Methylquinoline. |
---|
CAS Number | 91-62-3 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C10H9N |
---|
IUPAC name | 6-methylquinoline |
---|
InChI Identifier | InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3 |
---|
InChI Key | LUYISICIYVKBTA-UHFFFAOYSA-N |
---|
Isomeric SMILES | CC1=CC2=C(C=C1)N=CC=C2 |
---|
Average Molecular Weight | 143.1852 |
---|
Monoisotopic Molecular Weight | 143.073499293 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Quinolines and derivatives |
---|
Sub Class | Not Available |
---|
Direct Parent | Quinolines and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Quinoline
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
|
---|
Molecular Framework | Aromatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Route of exposure: Biological location: Source: |
---|
Role | Industrial application: Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
GC-MS | 6-Methylquinoline, non-derivatized, GC-MS Spectrum | splash10-0006-5900000000-d22c6c5ed754f74aacaa | Spectrum | GC-MS | 6-Methylquinoline, non-derivatized, GC-MS Spectrum | splash10-0006-5900000000-d22c6c5ed754f74aacaa | Spectrum | Predicted GC-MS | 6-Methylquinoline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0006-0900000000-dc1e6d9e3cc173358348 | Spectrum | Predicted GC-MS | 6-Methylquinoline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-4c667178a9ca79b74fd6 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0900000000-27793dd4393f6f2f115d | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00mo-2900000000-74df106e2f417309344e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-39c0425f41e546abb309 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-39c0425f41e546abb309 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-0900000000-f182f5e6a804c63be30d | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-3139ad0a41b8c84bdbc8 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-3139ad0a41b8c84bdbc8 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-1900000000-9f681902e2a35613a4e0 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-e5d0ebf20455b6c0a953 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-2900000000-21fb88c5786c41a3c6d6 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9300000000-f7f3845b51546631d7ab | 2021-09-23 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 6792 |
---|
ChEMBL ID | CHEMBL1412508 |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 7059 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB33115 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | FZH01-D:FZH01-D |
---|
EAFUS ID | 2493 |
---|
Dr. Duke ID | 6-METHYL-QUINOLINE |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | rw1026411 |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
|
---|