Ajoene (not validated)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311164
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR311164 contains the MS2 mass spectrum of Ajoene (not validated) with the InChIkey IXELFRRANAOWSF-UHFFFAOYSA-N.
Source: Ajoene (not validated)
Chemical Info
| InChI | InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2 |
|---|---|
| SMILES | O=S(CC=C)CC=CSSCC=C |
| InChI Key | IXELFRRANAOWSF-UHFFFAOYSA-N |
| Molecular Formula | C9H14OS3 |
| Exact Mass | 234.405 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 | 49e23dfe-e7db-4398-ae94-0e30c2c37167 |
| Package id | msbnk-riken-pr311164 |
| Resource type | HTML |
| State | active |