Dataset

Xanthone; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU019806 contains the MS2 mass spectrum of Xanthone with the InChIkey JNELGWHKGNBSMD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
SMILES O=C1C2=C(OC3=C1C=CC=C3)C=CC=C2
InChI Key JNELGWHKGNBSMD-UHFFFAOYSA-N
Molecular Formula C13H8O2
Exact Mass 196.052 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU019806
Version
Author
Maintainer
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MetadataPublished 2020-08-19
Related Molecule
  • xanthen-9-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:37647 chebi
    CHEMBL186784 chembl
    29358061 surechembl
    29398266 surechembl
    41161 surechembl
    7020 pubchem
    9749WEV0CA fdasrs
    PD002208 probes_and_drugs
    ZZZTXI CCDC
    81577 brenda
    8816 brenda
    HMDB0259922 hmdb
    Molport-001-759-220 molport
    50155411 bindingdb
    The data in this table is sourced from UniChem at EBI.