Roquefortine M
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000926
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000926 contains the MS2 mass spectrum of Roquefortine M with the InChIkey GIYROBMIPLLHQE-OQLLNIDSSA-N.
Source: Roquefortine M
Chemical Info
| InChI | InChI=1S/C22H23N5O4/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(31)20(22)30)10-16-19(29)25-15(18(28)26-16)9-13-11-23-12-24-13/h4-9,11-12,16,31H,1,10H2,2-3H3,(H,23,24)(H,25,29)(H,26,28)/b15-9+ |
|---|---|
| SMILES | CC(C=C)(C1(C(N(O)C2=CC=CC=C12)=O)CC3C(N/C(C(N3)=O)=C/C4=CN=CN4)=O)C |
| InChI Key | GIYROBMIPLLHQE-OQLLNIDSSA-N |
| Molecular Formula | C22H23N5O4 |
| Exact Mass | 421.175 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 | c6b3c67d-910b-4693-ad0f-1fa59f82428c |
| Package id | msbnk-aafc-ac000926 |
| Resource type | HTML |
| State | active |