Chanoclavine-I
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000323
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000323 contains the MS2 mass spectrum of Chanoclavine-I with the InChIkey SAHHMCVYMGARBT-HEESEWQSSA-N.
Source: Chanoclavine-I
Chemical Info
| InChI | InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1 |
|---|---|
| SMILES | C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO |
| InChI Key | SAHHMCVYMGARBT-HEESEWQSSA-N |
| Molecular Formula | C16H20N2O |
| Exact Mass | 256.158 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 | 1f03f354-f80a-4d1c-8090-22590438d1e5 |
| Package id | msbnk-aafc-ac000323 |
| Resource type | HTML |
| State | active |