Jacobine N-oxide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA000505
Dataset description:
This MassBank record with Accession MSBNK-NaToxAq-NA000505 contains the MS2 mass spectrum of Jacobine N-oxide with the InChIkey NKRQJWQYBNTAEV-SAJQNFQWSA-N.
Source: Jacobine N-oxide
Chemical Info
| InChI | InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+,19?/m1/s1 |
|---|---|
| SMILES | C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23 |
| InChI Key | NKRQJWQYBNTAEV-SAJQNFQWSA-N |
| Molecular Formula | C18H25NO7 |
| Exact Mass | 367.163 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 4.0 International (CC BY 4.0) |
| Id | a497cbc3-53dd-465f-8b04-a0d268ad4e81 |
| Package id | msbnk-natoxaq-na000505 |
| Resource type | HTML |
| State | active |