Dataset

(2R)-2-Hydroxy-2-phenethylglucosinolate

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

molecular Image
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

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307198
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:25:12.142052
MetadataModified 2025-02-09T18:28:35.152667
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
75144758 PubChem
The data in this table is sourced from UniChem at EBI.