Quinine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00328
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00328 contains the MS2 mass spectrum of Quinine with the InChIkey LOUPRKONTZGTKE-VOMFEXJBSA-N.
Source: Quinine
Chemical Info
| InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1 |
|---|---|
| SMILES | COc(c4)cc(c3c4)c(ccn3)[C@@H](O)[C@]([H])(C1)N(C2)C[C@H](C=C)[C@H](C2)1 |
| InChI Key | LOUPRKONTZGTKE-VOMFEXJBSA-N |
| Molecular Formula | C20H24N2O2 |
| Exact Mass | 324.184 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | eb376bbd-a894-4228-93b7-d5a9785d76f5 |
| Package id | msbnk-fiocruz-fio00328 |
| Resource type | HTML |
| State | active |