Dataset

Chrysin; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00027 contains the MS2 mass spectrum of Chrysin with the InChIkey RTIXKCRFFJGDFG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1
InChI Key RTIXKCRFFJGDFG-UHFFFAOYSA-N
Molecular Formula C15H10O4
Exact Mass 254.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00027
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-phenylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB15581 drugbank
    CHEBI:75095 chebi
    LMPK12110189 lipidmaps
    57D rcsb_pdb
    CHEMBL117 chembl
    29383577 surechembl
    44474 surechembl
    5281607 pubchem
    3CN01F5ZJ5 fdasrs
    57D - Ideal conformer pdbe
    8789 gtopdb
    PD001621 probes_and_drugs
    IYIWIY CCDC
    136571 brenda
    14167 brenda
    155312 brenda
    1727 brenda
    229274 brenda
    229275 brenda
    236287 brenda
    3522 brenda
    HMDB0036619 hmdb
    Molport-001-742-013 molport
    7461 bindingdb
    The data in this table is sourced from UniChem at EBI.