Caffeic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311118
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR311118 contains the MS2 mass spectrum of Caffeic acid with the InChIkey QAIPRVGONGVQAS-DUXPYHPUSA-N.
Source: Caffeic acid
Chemical Info
| InChI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)O)O |
| InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.159 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 2308fd1a-6a87-43b5-bbff-0ed748533abc |
| Package id | msbnk-riken-pr311118 |
| Resource type | HTML |
| State | active |