Dataset

Myricetin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305602 contains the MS2 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 OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1
InChI Key IKMDFBPHZNJCSN-UHFFFAOYSA-N
Molecular Formula C15H10O8
Exact Mass 318.237 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-RIKEN-PR305602
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
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
    MYC pdbe
    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
    DTXSID8022400 comptox
    Molport-001-740-532 molport
    15236 bindingdb
    The data in this table is sourced from UniChem at EBI.