Roquefortine A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000551
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000551 contains the MS2 mass spectrum of Roquefortine A with the InChIkey GJSSYQDXZLZOLR-QMHBMSAFSA-N.
Source: Roquefortine A
Chemical Info
| InChI | InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1 |
|---|---|
| SMILES | C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H]1OC(=O)C)C |
| InChI Key | GJSSYQDXZLZOLR-QMHBMSAFSA-N |
| Molecular Formula | C18H22N2O2 |
| Exact Mass | 298.168 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 78fdbfdc-a018-4f37-9773-b0a089ad1cf5 |
| Package id | msbnk-aafc-ac000551 |
| Resource type | HTML |
| State | active |