Dataset

Myricetin; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003377 contains the MS mass spectrum of Myricetin with the InChIkey IKMDFBPHZNJCSN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
SMILES C1(=C(C(=C(C(=C1O[H])O[H])O[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H]
InChI Key IKMDFBPHZNJCSN-UHFFFAOYSA-N
Molecular Formula C15H10O8
Exact Mass 318.038 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-BS003377
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02375 drugbank
    CHEBI:18152 chebi
    LMPK12110001 lipidmaps
    MYC rcsb_pdb
    CHEMBL164 chembl
    19302 surechembl
    29357150 surechembl
    5281672 pubchem
    76XC01FTOJ fdasrs
    13074 gtopdb
    PD002690 probes_and_drugs
    NIKLAX CCDC
    124345 brenda
    136874 brenda
    156715 brenda
    186706 brenda
    211677 brenda
    243649 brenda
    27098 brenda
    484 brenda
    84023 brenda
    91846 brenda
    HMDB0002755 hmdb
    Molport-001-740-532 molport
    15236 bindingdb
    The data in this table is sourced from UniChem at EBI.