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
    NAR pdbe
    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
    DTXSID1022392 comptox
    NCT01091077 clinicaltrials
    NCT03582553 clinicaltrials
    Molport-001-796-145 molport
    19461 bindingdb
    23419 bindingdb
    The data in this table is sourced from UniChem at EBI.