(2R)-2-Hydroxy-2-phenethylglucosinolate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307198
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307198 contains the MS2 mass spectrum of (2R)-2-Hydroxy-2-phenethylglucosinolate with the InChIkey GAPDDBFHNYHZIS-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24) |
|---|---|
| SMILES | OCC1OC(SC(CC(O)C2=CC=CC=C2)=NOS(O)(=O)=O)C(O)C(O)C1O |
| InChI Key | GAPDDBFHNYHZIS-UHFFFAOYSA-N |
| Molecular Formula | C15H21NO10S2 |
| Exact Mass | 439.460 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 | db77d60a-d35e-4bfd-92f3-24af53673f59 |
| Package id | msbnk-riken-pr307198 |
| Resource type | HTML |
| State | active |