Dataset

Myricetin; LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003378 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 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-BS003378
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
    5281672 PubChem
    60015823 NMRShiftDB
    PD002690 ProbesDrugs
    136874 Brenda
    14874593 PubChem: Thomson Pharma
    LSM-2957 LINCS
    529-44-2 ACToR
    Myricetin(Cannabiscetin) Selleck
    76XC01FTOJ FDA SRS
    529338 eMolecules
    156715 Brenda
    84023 Brenda
    91846 Brenda
    484 Brenda
    HMDB0002755 Human Metabolome Database
    27098 Brenda
    211677 Brenda
    CB5142262 ChemicalBook
    ZINC000003874317 ZINC
    MTBLC18152 Metabolights
    SCHEMBL19302 SureChEMBL
    HY-15097 MedChemExpress
    243649 Brenda
    MCULE-6299186219 Mcule
    DTXSID8022400 EPA CompTox Dashboard
    LMPK12110001 LipidMaps
    J1.585G Nikkaji
    NIKLAX CCDC
    15236 BindingDB
    MYRICETIN rxnorm
    DB02375 DrugBank
    12015490 PubChem: Drugs of the Future
    CHEMBL164 ChEMBL
    MYC PDBe
    18152 ChEBI
    C10107 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.