Roquefortine C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000218
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000218 contains the MS2 mass spectrum of Roquefortine C with the InChIkey SPWSUFUPTSJWNG-JJUKSXGLSA-N.
Source: Roquefortine C
Chemical Info
| InChI | InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1 |
|---|---|
| SMILES | CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25 |
| InChI Key | SPWSUFUPTSJWNG-JJUKSXGLSA-N |
| Molecular Formula | C22H23N5O2 |
| Exact Mass | 389.185 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 | e8ab4119-9396-4a15-866c-48681e37e501 |
| Package id | msbnk-aafc-ac000218 |
| Resource type | HTML |
| State | active |