Hirsutine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300177
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300177 contains the MS2 mass spectrum of Hirsutine with the InChIkey NMLUOJBSAYAYEM-AZQGJTAVSA-N.
Source: Hirsutine
Chemical Info
| InChI | InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@H]2C[C@@H]1\C(=C/OC)C(=O)OC |
| InChI Key | NMLUOJBSAYAYEM-AZQGJTAVSA-N |
| Molecular Formula | C22H28N2O3 |
| Exact Mass | 368.477 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 | 442023cd-e02d-4669-9c75-ad57c761cfd9 |
| Package id | msbnk-riken-pr300177 |
| Resource type | HTML |
| State | active |