Dataset

Kaempferide; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003218 contains the MS2 mass spectrum of Kaempferide 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 C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])[H])([H])([H])[H]
InChI Key SQFSKOYWJBQGKQ-UHFFFAOYSA-N
Molecular Formula C16H12O6
Exact Mass 300.063 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-BS003218
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
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
    Molport-000-165-394 molport
    50084978 bindingdb
    The data in this table is sourced from UniChem at EBI.