p-Hydroxybenzylglucosinolate, Sinalbin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS108101
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS108101 contains the MS2 mass spectrum of p-Hydroxybenzylglucosinolate, Sinalbin with the InChIkey WWBNBPSEKLOHJU-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23) |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O |
| InChI Key | WWBNBPSEKLOHJU-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO10S2 |
| Exact Mass | 425.433 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 4.0 International (CC BY-NC 4.0) |
| Id | a90444e4-0984-4397-ada3-7e049ec9854e |
| Package id | msbnk-riken_respect-ps108101 |
| Resource type | HTML |
| State | active |