Dataset

apigenin; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-MetaboLights-ML002601 contains the MS2 mass spectrum of apigenin with the InChIkey KZNIFHPLKGYRTM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
SMILES O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChI Key KZNIFHPLKGYRTM-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-MetaboLights-ML002601
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Maintainer
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MetadataPublished 2014-11-12
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07352 drugbank
    CHEBI:18388 chebi
    LMPK12110005 lipidmaps
    AGI rcsb_pdb
    CHEMBL28 chembl
    19428 surechembl
    29351464 surechembl
    5280443 pubchem
    AGI pdbe
    4136 gtopdb
    PD002200 probes_and_drugs
    JINJEZ CCDC
    15568 brenda
    223510 brenda
    48200 brenda
    48201 brenda
    515 brenda
    56859 brenda
    9939 brenda
    7V515PI7F6 fdasrs
    HMDB0002124 hmdb
    Molport-001-740-354 molport
    7458 bindingdb
    The data in this table is sourced from UniChem at EBI.