Dataset

2'-Hydroxy-4'-methoxychalcone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003810 contains the MS2 mass spectrum of 2'-Hydroxy-4'-methoxychalcone with the InChIkey GUNGQVJAKLIYDG-JXMROGBWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-11,18H,1H3/b10-7+
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C(=O)/C(=C(/C2=C(C(=C(C(=C2[H])[H])[H])[H])[H])\[H])/[H])O[H])[H])([H])([H])[H]
InChI Key GUNGQVJAKLIYDG-JXMROGBWSA-N
Molecular Formula C16H14O3
Exact Mass 254.094 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-BS003810
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (E)-1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL317469 chembl
    5088548 surechembl
    5380645 pubchem
    REPXIW CCDC
    143988 bindingdb
    50211465 bindingdb
    50709266 bindingdb
    50709301 bindingdb
    Molport-000-779-850 molport
    The data in this table is sourced from UniChem at EBI.