Chorismic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP011403
Dataset description:
This MassBank record with Accession MSBNK-BGC_Munich-RP011403 contains the MS2 mass spectrum of Chorismic acid with the InChIkey WTFXTQVDAKGDEY-HTQZYQBOSA-N.
Source: Chorismic acid
Chemical Info
| InChI | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 |
|---|---|
| SMILES | O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O |
| InChI Key | WTFXTQVDAKGDEY-HTQZYQBOSA-N |
| Molecular Formula | C10H10O6 |
| Exact Mass | 226.048 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 4.0 International (CC BY 4.0) |
| Id | 9bfc17b8-8f46-4ff7-a666-fb8b037455b8 |
| Package id | msbnk-bgc_munich-rp011403 |
| Resource type | HTML |
| State | active |