Deoxynivalenol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000112
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000112 contains the MS2 mass spectrum of Deoxynivalenol with the InChIkey LINOMUASTDIRTM-QGRHZQQGSA-N.
Source: Deoxynivalenol
Chemical Info
| InChI | InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO |
| InChI Key | LINOMUASTDIRTM-QGRHZQQGSA-N |
| Molecular Formula | C15H20O6 |
| Exact Mass | 296.126 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 | 959c196e-4437-4f1a-80d5-3abd3ed5e563 |
| Package id | msbnk-aafc-ac000112 |
| Resource type | HTML |
| State | active |