| Record Information |
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| Version | 1.0 |
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| Creation date | 2020-04-06 11:06:54 UTC |
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| Update date | 2020-04-06 23:43:20 UTC |
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| Primary ID | FDB111678 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Methoxyacetic acid |
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| Description | Methoxyacetic acid, also known as 2-methoxyacetate or CH3OCH2COOH, belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Methoxyacetic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make methoxyacetic acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Methoxyacetic acid. |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C3H6O3 |
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| IUPAC name | 2-methoxyacetic acid |
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| InChI Identifier | InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5) |
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| InChI Key | RMIODHQZRUFFFF-UHFFFAOYSA-N |
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| Isomeric SMILES | COCC(O)=O |
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| Average Molecular Weight | 90.0779 |
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| Monoisotopic Molecular Weight | 90.031694058 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Carboxylic acids |
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| Direct Parent | Carboxylic acids |
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| Alternative Parents | |
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| Substituents | - Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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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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| GC-MS | Methoxyacetic acid, non-derivatized, GC-MS Spectrum | splash10-0002-9000000000-459a9fd6341faa2d6199 | Spectrum | | GC-MS | Methoxyacetic acid, non-derivatized, GC-MS Spectrum | splash10-0002-9000000000-00eacd2cc9c79e884a7f | Spectrum | | GC-MS | Methoxyacetic acid, non-derivatized, GC-MS Spectrum | splash10-0002-9000000000-459a9fd6341faa2d6199 | Spectrum | | GC-MS | Methoxyacetic acid, non-derivatized, GC-MS Spectrum | splash10-0002-9000000000-00eacd2cc9c79e884a7f | Spectrum | | Predicted GC-MS | Methoxyacetic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-052e-9000000000-88a8180e978a97b6d7d3 | Spectrum | | Predicted GC-MS | Methoxyacetic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00dv-9100000000-17e4cc4c37ebe949ab03 | Spectrum | | Predicted GC-MS | Methoxyacetic acid, 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 | splash10-0006-9000000000-06583265e77ad7b8df2b | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9000000000-4ff152447c2d0d3d8428 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-72838d342a353f12fdb0 | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-e78337d19ef7afde9062 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-5f51eb18442219493d6f | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05fv-9000000000-cb363d2443dec92fb142 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01ox-9000000000-aa894a83913446ac6644 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0005-9000000000-e82059516011e327da53 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-cdb7c157d893f385dbdc | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-9000000000-b333d7ca100349435b41 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-9000000000-513de11c4773c144435e | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-79a6253fbc0ac5ca9427 | 2021-09-25 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | Not Available |
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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 | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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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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| 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 | |
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