Dataset

isoliquiritigenin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306395 contains the MS2 mass spectrum of isoliquiritigenin with the InChIkey DXDRHHKMWQZJHT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H
SMILES OC1=CC=C(C=CC(=O)C2=C(O)C=C(O)C=C2)C=C1
InChI Key DXDRHHKMWQZJHT-UHFFFAOYSA-N
Molecular Formula C15H12O4
Exact Mass 256.257 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-RIKEN-PR306395
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD055486 ProbesDrugs
    425 PubChem
    94010 ChEBI
    45233 Brenda
    MCULE-2961278599 Mcule
    CHEMBL3183256 ChEMBL
    The data in this table is sourced from UniChem at EBI.