Mitragynine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301332
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301332 contains the MS2 mass spectrum of Mitragynine with the InChIkey LELBFTMXCIIKKX-QVRQZEMUSA-N.
Source: Mitragynine
Chemical Info
| InChI | InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1 |
|---|---|
| SMILES | CC[C@@H]1CN2CCC3=C(NC4=C3C(OC)=CC=C4)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC |
| InChI Key | LELBFTMXCIIKKX-QVRQZEMUSA-N |
| Molecular Formula | C23H30N2O4 |
| Exact Mass | 398.503 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 | 7d01de58-f0cb-4452-b656-853439b901b6 |
| Package id | msbnk-riken-pr301332 |
| Resource type | HTML |
| State | active |