Dataset

Hesperetin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003471 contains the MS2 mass spectrum of Hesperetin with the InChIkey AIONOLUJZLIMTK-AWEZNQCLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2(C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key AIONOLUJZLIMTK-AWEZNQCLSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 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-BS003471
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01094 drugbank
    CHEBI:28230 chebi
    LMPK12140003 lipidmaps
    6JP rcsb_pdb
    CHEMBL399121 chembl
    29359052 surechembl
    29534477 surechembl
    39833 surechembl
    72281 pubchem
    Q9Q3D557F1 fdasrs
    PD001966 probes_and_drugs
    KOCGIW CCDC
    124731 brenda
    144470 brenda
    184155 brenda
    185306 brenda
    207847 brenda
    2081 brenda
    241674 brenda
    HMDB0005782 hmdb
    Molport-003-665-801 molport
    1362 drugcentral
    23418 bindingdb
    The data in this table is sourced from UniChem at EBI.