m-Anisic-acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00524
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00524 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) |
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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 | 75e97da9-6ef7-4784-8a20-ea4e20f3cd79 |
Package id | msbnk-fiocruz-fio00524 |
Resource type | HTML |
State | active |