Dataset

Acacetin; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00838 contains the MS2 mass spectrum of Acacetin with the InChIkey DANYIYRPLHHOCZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI Key DANYIYRPLHHOCZ-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-BML00838
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:15335 chebi
    LMPK12110468 lipidmaps
    CHEMBL243664 chembl
    107712 surechembl
    29387049 surechembl
    5280442 pubchem
    KWI7J0A2CC fdasrs
    13776 gtopdb
    PD037100 probes_and_drugs
    DAXMFV CCDC
    125030 brenda
    14039 brenda
    4661 brenda
    91589 brenda
    Molport-003-665-819 molport
    23415 bindingdb
    The data in this table is sourced from UniChem at EBI.