Quinine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301678
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301678 contains the MS2 mass spectrum of Quinine with the InChIkey LOUPRKONTZGTKE-VPCNSNALSA-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-/m1/s1 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]1C[C@H]2CCN1C[C@H]2C=C |
| InChI Key | LOUPRKONTZGTKE-VPCNSNALSA-N |
| Molecular Formula | C20H24N2O2 |
| Exact Mass | 324.424 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | c1a74164-2e54-40b3-8dba-dc4a0551e3f4 |
| Package id | msbnk-riken-pr301678 |
| Resource type | HTML |
| State | active |