Dataset

Exifone; LC-ESI-Q; MS; NEG; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002740 contains the MS mass spectrum of Exifone with the InChIkey XEDWWPGWIXPVRQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
SMILES Oc(c2)c(O)c(O)c(c2)C(=O)c(c1)cc(O)c(O)c(O)1
InChI Key XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Molecular Formula C13H10O7
Exact Mass 278.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002740
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:125609 chebi
    CHEMBL329522 chembl
    273096 surechembl
    29375026 surechembl
    40399 pubchem
    38K9TOD4EG fdasrs
    DB19806 drugbank
    PD052320 probes_and_drugs
    DTXSID9044950 comptox
    Molport-005-933-071 molport
    234394 bindingdb
    The data in this table is sourced from UniChem at EBI.