Dataset

Nevadensin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003642 contains the MS2 mass spectrum of Nevadensin with the InChIkey KRFBMPVGAYGGJE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC([H])([H])[H])O[H])OC([H])([H])[H])O[H])[H])[H])[H])([H])([H])[H]
InChI Key KRFBMPVGAYGGJE-UHFFFAOYSA-N
Molecular Formula C18H16O7
Exact Mass 344.090 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-BS-BS003642
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:7545 chebi
    LMPK12111442 lipidmaps
    CHEMBL312073 chembl
    2178589 surechembl
    160921 pubchem
    PD056580 probes_and_drugs
    HMDB0255572 hmdb
    171955 bindingdb
    171988 bindingdb
    51006923 bindingdb
    Molport-021-804-611 molport
    The data in this table is sourced from UniChem at EBI.