Dataset

4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?); LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003767 contains the MS2 mass spectrum of 4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) with the InChIkey ZWNLSRDFHQCTQW-RMKNXTFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18O5/c1-21-14-10-16(22-2)18(17(11-14)23-3)15(20)9-6-12-4-7-13(19)8-5-12/h4-11,19H,1-3H3/b9-6+
SMILES COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)OC
InChI Key ZWNLSRDFHQCTQW-RMKNXTFCSA-N
Molecular Formula C18H18O5
Exact Mass 314.115 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-BS003767
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (E)-3-(4-hydroxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5986673 PubChem
    4367623 eMolecules
    SCHEMBL633183 SureChEMBL
    ZINC000004100777 ZINC
    CHEMBL3120611 ChEMBL
    The data in this table is sourced from UniChem at EBI.