Brucine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00426
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00426 contains the MS2 mass spectrum of Brucine with the InChIkey RRKTZKIUPZVBMF-UHFFFAOYSA-N.
Source: Brucine
Chemical Info
| InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| InChI Key | RRKTZKIUPZVBMF-UHFFFAOYSA-N |
| Molecular Formula | C23H26N2O4 |
| Exact Mass | 394.189 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 36a7514e-a6ce-4966-85db-3d74a5a271e3 |
| Package id | msbnk-washington_state_univ-bml00426 |
| Resource type | HTML |
| State | active |