| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:08:08 UTC |
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| Update date | 2019-11-26 03:02:44 UTC |
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| Primary ID | FDB008536 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 2-Methoxy-3-methylpyrazine |
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| Description | 2-Methoxy-3-methylpyrazine belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. 2-Methoxy-3-methylpyrazine has been detected, but not quantified in, burdocks (Arctium lappa) and fenugreeks (Trigonella foenum-graecum). This could make 2-methoxy-3-methylpyrazine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Methoxy-3-methylpyrazine. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Methoxymethylpyrazine | HMDB | | Pyrazine, 2-methyl-3-methoxy | HMDB | | 2-Methoxy-3-methylpyrazine | db_source |
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| Predicted Properties | |
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| Chemical Formula | C6H8N2O |
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| IUPAC name | 2-methoxy-3-methylpyrazine |
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| InChI Identifier | InChI=1S/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
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| InChI Key | VKJIAEQRKBQLLA-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=C(C)N=CC=N1 |
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| Average Molecular Weight | 124.1405 |
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| Monoisotopic Molecular Weight | 124.063662888 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazines |
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| Sub Class | Pyrazines |
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| Direct Parent | Methoxypyrazines |
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| Alternative Parents | |
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| Substituents | - Methoxypyrazine
- Alkyl aryl ether
- Heteroaromatic compound
- Azacycle
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Route of exposure: Source: Biological location: |
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| Role | Industrial application: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | C 58.05%; H 6.50%; N 22.57%; O 12.89% | DFC |
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| Melting Point | Not Available | |
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| Boiling Point | Bp60 87° | DFC |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | 1.24 | YAMAGAMI,C ET AL. (1991) |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 2-Methoxy-3-methylpyrazine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dl-9500000000-34dec9f00a47cd6adbc7 | Spectrum | | Predicted GC-MS | 2-Methoxy-3-methylpyrazine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | 2-Methoxy-3-methylpyrazine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0900000000-aad109e07d5cf94af3cb | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-1900000000-bac0a547b92218f9e4b8 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0k96-9000000000-539c30af84a7bf2d10b0 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0900000000-1e088bb054380e2a4f5b | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9200000000-ddf5a78cfd9b307ca8f6 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a6r-9000000000-01df35c8d916c19f85ed | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0900000000-91e201add7488b50382a | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004l-9500000000-221a0f6d956c28a37212 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f6x-9000000000-503a43cbf499ac3566ed | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-1900000000-9a311fbd9156db5eb0a4 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00dl-9800000000-f74af4faf3ef91d117df | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0k96-9000000000-2a12c08e10de41fbf96e | 2021-09-25 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 16906 |
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| ChEMBL ID | CHEMBL329881 |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 17898 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB31852 |
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| CRC / DFC (Dictionary of Food Compounds) ID | NDX62-K:DNB40-I |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | 2-METHOXY-3-METHYLPYRAZINE |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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