Roquefortine L
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000817
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000817 contains the MS2 mass spectrum of Roquefortine L with the InChIkey JKXUAFUJOVITSU-OQLLNIDSSA-N.
Source: Roquefortine L
Chemical Info
| InChI | InChI=1S/C22H21N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+ |
|---|---|
| SMILES | CC(C)(C=C)C12CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3C1=[N+](C5=CC=CC=C25)[O-] |
| InChI Key | JKXUAFUJOVITSU-OQLLNIDSSA-N |
| Molecular Formula | C22H21N5O3 |
| Exact Mass | 403.164 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 | a8bd63e2-b3d0-4ed3-a2b5-d1400a84d108 |
| Package id | msbnk-aafc-ac000817 |
| Resource type | HTML |
| State | active |