Dataset

p-Hydroxybenzyl glucosinolate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307250 contains the MS2 mass spectrum of p-Hydroxybenzyl glucosinolate with the InChIkey WWBNBPSEKLOHJU-UHFFFAOYSA-N.

Chemical Information

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 OCC1OC(SC(CC2=CC=C(O)C=C2)=NOS(O)(=O)=O)C(O)C(O)C1O
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307250
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MetadataPublished 2019-03-28
Related Molecule
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    • 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.