m-Anisic-acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00523
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00523 contains the MS2 mass spectrum of m-Anisic-acid with the InChIkey XHQZJYCNDZAGLW-UHFFFAOYSA-N.
Source: m-Anisic-acid
Chemical Info
| InChI | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
|---|---|
| SMILES | COc(c1)cc(cc1)C(O)=O |
| InChI Key | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
| Exact Mass | 152.047 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 923ca801-958e-4166-a3c9-64840b95a3c5 |
| Package id | msbnk-fiocruz-fio00523 |
| Resource type | HTML |
| State | active |