Dataset

p-Hydroxybenzylglucosinolate, Sinalbin

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

molecular Image
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

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS108101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:16:20.414816
MetadataModified 2025-02-09T19:19:05.833417
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0038401 Human Metabolome Database
415565 PubChem
The data in this table is sourced from UniChem at EBI.