Dataset

Velutin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00266 contains the MS2 mass spectrum of Velutin with the InChIkey ROCUOVBWAWAQFD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OC)c(O)c2
InChI Key ROCUOVBWAWAQFD-UHFFFAOYSA-N
Molecular Formula C17H14O6
Exact Mass 314.079 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-Fiocruz-FIO00266
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:177047 chebi
    LMPK12111053 lipidmaps
    CHEMBL508292 chembl
    29928535 surechembl
    5804380 surechembl
    5464381 pubchem
    CT1Q4E0I0W fdasrs
    PD065071 probes_and_drugs
    157587 brenda
    157647 brenda
    236301 brenda
    249761 brenda
    Molport-004-964-320 molport
    84983 bindingdb
    The data in this table is sourced from UniChem at EBI.