Dataset

Naringenin; LC-ESI-QTOF; MS2; CE:25 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003027 contains the MS2 mass spectrum of Naringenin with the InChIkey FTVWIRXFELQLPI-ZDUSSCGKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
SMILES C1([C@]([H])(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[H])[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])([H])[H]
InChI Key FTVWIRXFELQLPI-ZDUSSCGKSA-N
Molecular Formula C15H12O5
Exact Mass 272.068 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-BS-BS003027
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03467 drugbank
    CHEBI:17846 chebi
    LMPK12140001 lipidmaps
    NAR rcsb_pdb
    CHEMBL9352 chembl
    20570 surechembl
    29351357 surechembl
    439246 pubchem
    PD001602 probes_and_drugs
    AYUJAH CCDC
    103754 brenda
    128092 brenda
    163690 brenda
    182910 brenda
    182911 brenda
    182912 brenda
    266184 brenda
    2699 brenda
    56282 brenda
    586 brenda
    75681 brenda
    HN5425SBF2 fdasrs
    HMDB0002670 hmdb
    Molport-001-796-145 molport
    19461 bindingdb
    23419 bindingdb
    The data in this table is sourced from UniChem at EBI.