Dataset

Zapotinin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003523 contains the MS mass spectrum of Zapotinin with the InChIkey BFXYIQRRGIMMSR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O6/c1-21-11-5-4-6-12(22-2)17(11)15-9-10(19)16-13(24-15)7-8-14(23-3)18(16)20/h4-9,20H,1-3H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])[H])OC([H])([H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])OC([H])([H])[H])[H])[H])[H])([H])([H])[H]
InChI Key BFXYIQRRGIMMSR-UHFFFAOYSA-N
Molecular Formula C18H16O6
Exact Mass 328.095 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-BS003523
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:174393 chebi
    LMPK12110090 lipidmaps
    26115259 surechembl
    29435860 surechembl
    44257595 pubchem
    4P55Z8978Y fdasrs
    HMDB0029677 hmdb
    The data in this table is sourced from UniChem at EBI.