Dataset

Prunetin; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003054 contains the MS mass spectrum of Prunetin with the InChIkey KQMVAGISDHMXJJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])[H])([H])([H])[H]
InChI Key KQMVAGISDHMXJJ-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-BS003054
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8600 chebi
    LMPK12050353 lipidmaps
    CHEMBL491174 chembl
    29612430 surechembl
    73420 surechembl
    5281804 pubchem
    1TG4H5H11J fdasrs
    6919 gtopdb
    PD047330 probes_and_drugs
    137191 brenda
    164048 brenda
    16807 brenda
    HMDB0034127 hmdb
    Molport-003-939-175 molport
    50359990 bindingdb
    The data in this table is sourced from UniChem at EBI.