Dataset

2',4'-Dihydroxychalcone; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003776 contains the MS mass spectrum of 2',4'-Dihydroxychalcone with the InChIkey JUMSUVHHUVPSOY-RMKNXTFCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
SMILES C1(=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)C2=C(C(=C(C(=C2[H])[H])O[H])[H])O[H])\[H])/[H])[H])[H])[H]
InChI Key JUMSUVHHUVPSOY-RMKNXTFCSA-N
Molecular Formula C15H12O3
Exact Mass 240.079 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-BS003776
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50042987 BindingDB
    FAJXIX CCDC
    J72.675C Nikkaji
    LMPK12120016 LipidMaps
    J1.353.843C Nikkaji
    CHEMBL105310 ChEMBL
    5376979 PubChem
    60026831 NMRShiftDB
    15415875 PubChem: Thomson Pharma
    1776-30-3 ACToR
    25515-43-9 ACToR
    PD000608 ProbesDrugs
    12290 Brenda
    ZINC000004252553 ZINC
    56867 Brenda
    SCHEMBL127341 SureChEMBL
    The data in this table is sourced from UniChem at EBI.