Monocrotaline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81707
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML81707 contains the MS mass spectrum of Monocrotaline with the InChIkey QVCMHGGNRFRMAD-XFGHUUIASA-N.
Source: Monocrotaline
Chemical Info
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O |
| InChI Key | QVCMHGGNRFRMAD-XFGHUUIASA-N |
| Molecular Formula | C16H23NO6 |
| Exact Mass | 325.153 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 | 2cc91090-f457-4cab-945b-21f9cd77044d |
| Package id | msbnk-washington_state_univ-bml81707 |
| Resource type | HTML |
| State | active |