Dataset

Xanthone; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU019805 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-LU019805
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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
    50155411 BindingDB
    HY-N0126 MedChemExpress
    J4.319B Nikkaji
    DTXSID6021795 EPA CompTox Dashboard
    ZZZTXI CCDC
    HMDB0259922 Human Metabolome Database
    CHEMBL186784 ChEMBL
    37647 ChEBI
    MCULE-8122570588 Mcule
    10016201 NMRShiftDB
    81577 Brenda
    8816 Brenda
    ZINC000003860823 ZINC
    CB3304187 ChemicalBook
    533320 eMolecules
    7020 PubChem
    PD002208 ProbesDrugs
    9749WEV0CA FDA SRS
    15195436 PubChem: Thomson Pharma
    SCHEMBL41161 SureChEMBL
    Xanthone(Genicide) Selleck
    90-47-1 ACToR
    The data in this table is sourced from UniChem at EBI.