Dataset

5-Hydroxy-3'-methoxyflavone; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01780 contains the MS2 mass spectrum of 5-Hydroxy-3'-methoxyflavone with the InChIkey IPQOBEBHJDIMQR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O4/c1-19-11-5-2-4-10(8-11)15-9-13(18)16-12(17)6-3-7-14(16)20-15/h2-9,17H,1H3
SMILES COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C=CC=C3O
InChI Key IPQOBEBHJDIMQR-UHFFFAOYSA-N
Molecular Formula C16H12O4
Exact Mass 268.074 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-BML01780
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-hydroxy-2-(3-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-7438908051 Mcule
    ZINC000000057685 ZINC
    4368528 eMolecules
    70112209 NMRShiftDB
    SCHEMBL4650052 SureChEMBL
    136883015 PubChem: Thomson Pharma
    688678 PubChem
    The data in this table is sourced from UniChem at EBI.