Dataset

Chrysoeriol; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003344 contains the MS2 mass spectrum of Chrysoeriol with the InChIkey SCZVLDHREVKTSH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
SMILES C(OC1=C(C(=C(C(=C1[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key SCZVLDHREVKTSH-UHFFFAOYSA-N
Molecular Formula C16H12O6
Exact Mass 300.063 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-BS003344
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60019848 NMRShiftDB
    PD150718 ProbesDrugs
    14974146 PubChem: Thomson Pharma
    491-71-4 ACToR
    DB17283 DrugBank
    1935781 eMolecules
    43510 Brenda
    137251 Brenda
    40187 Brenda
    MTBLC16514 Metabolights
    HMDB0030667 Human Metabolome Database
    208497 Brenda
    SCHEMBL293757 SureChEMBL
    5280666 PubChem
    Q813145M20 FDA SRS
    16514 ChEBI
    C04293 KEGG Ligand
    CHEMBL214321 ChEMBL
    4511 Brenda
    50241084 BindingDB
    ZINC000000519621 ZINC
    LMPK12110799 LipidMaps
    HY-121471 MedChemExpress
    J90.397C Nikkaji
    MCULE-7873890076 Mcule
    DTXSID60197687 EPA CompTox Dashboard
    CB4480952 ChemicalBook
    The data in this table is sourced from UniChem at EBI.