Dataset

4'-Hydroxy-5,7-dimethoxyflavanone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01826 contains the MS2 mass spectrum of 4'-Hydroxy-5,7-dimethoxyflavanone with the InChIkey REBBZOCNEVVAPX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H16O5/c1-20-12-7-15(21-2)17-13(19)9-14(22-16(17)8-12)10-3-5-11(18)6-4-10/h3-8,14,18H,9H2,1-2H3
SMILES COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)OC
InChI Key REBBZOCNEVVAPX-UHFFFAOYSA-N
Molecular Formula C17H16O5
Exact Mass 300.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01826
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5271551 PubChem
    50488657 BindingDB
    LMPK12140595 LipidMaps
    DTXSID40414920 EPA CompTox Dashboard
    MCULE-8068976578 Mcule
    J2.848.569G Nikkaji
    4368305 eMolecules
    60057383 NMRShiftDB
    92389408 PubChem: Thomson Pharma
    CHEMBL2299039 ChEMBL
    SCHEMBL5085603 SureChEMBL
    The data in this table is sourced from UniChem at EBI.