Benzyl glucosinolate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307277
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307277 contains the MS2 mass spectrum of Benzyl glucosinolate with the InChIkey QQGLQYQXUKHWPX-UHFFFAOYSA-N.
Source: Benzyl glucosinolate
Chemical Info
| InChI | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22) |
|---|---|
| SMILES | OCC1OC(SC(CC2=CC=CC=C2)=NOS(O)(=O)=O)C(O)C(O)C1O |
| InChI Key | QQGLQYQXUKHWPX-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO9S2 |
| Exact Mass | 409.434 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 | 70995e0b-1e4c-47df-87c3-97a2bb93df61 |
| Package id | msbnk-riken-pr307277 |
| Resource type | HTML |
| State | active |