Dataset

2'-Hydroxy-4-methoxychalcone; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003812 contains the MS2 mass spectrum of 2'-Hydroxy-4-methoxychalcone with the InChIkey NXBNYUSXDBHELA-DHZHZOJOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+
SMILES C(OC1=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)C2=C(C(=C(C(=C2O[H])[H])[H])[H])[H])\[H])/[H])[H])[H])([H])([H])[H]
InChI Key NXBNYUSXDBHELA-DHZHZOJOSA-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-BS003812
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL241862 ChEMBL
    XIGQEK CCDC
    J856.764F Nikkaji
    J124.948G Nikkaji
    76395 BindingDB
    237599 Brenda
    5331295 PubChem
    14819457 PubChem: Thomson Pharma
    SCHEMBL2807599 SureChEMBL
    926788 eMolecules
    ZINC000003897187 ZINC
    MCULE-7544284839 Mcule
    The data in this table is sourced from UniChem at EBI.