Dataset

Kaempferol-4'-methyl ether; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306435 contains the MS2 mass spectrum of Kaempferol-4'-methyl ether with the InChIkey SQFSKOYWJBQGKQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
SMILES COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key SQFSKOYWJBQGKQ-UHFFFAOYSA-N
Molecular Formula C16H12O6
Exact Mass 300.266 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-RIKEN-PR306435
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6099 chebi
    LMPK12110563 lipidmaps
    CHEMBL40919 chembl
    29371282 surechembl
    426774 surechembl
    5281666 pubchem
    508XL61MPD fdasrs
    PD012582 probes_and_drugs
    111079 brenda
    113689 brenda
    124053 brenda
    136804 brenda
    13699 brenda
    170372 brenda
    170407 brenda
    172825 brenda
    172909 brenda
    30766 brenda
    56862 brenda
    HMDB0037441 hmdb
    DTXSID9034155 comptox
    FDB016499 foodb
    FDB016500 foodb
    Molport-000-165-394 molport
    50084978 bindingdb
    The data in this table is sourced from UniChem at EBI.