Dataset

Pinocembrin; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00878 contains the MS2 mass spectrum of Pinocembrin with the InChIkey URFCJEUYXNAHFI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
SMILES C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
InChI Key URFCJEUYXNAHFI-UHFFFAOYSA-N
Molecular Formula C15H12O4
Exact Mass 256.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00878
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL70518 chembl
    291899 surechembl
    30186539 surechembl
    238782 pubchem
    PD056515 probes_and_drugs
    182906 brenda
    29580 brenda
    Molport-000-165-378 molport
    243060 bindingdb
    The data in this table is sourced from UniChem at EBI.