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
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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
    PD052320 ProbesDrugs
    72841-23-7 ACToR
    14799537 PubChem: Thomson Pharma
    52479-85-3 ACToR
    SCHEMBL273096 SureChEMBL
    40399 PubChem
    38K9TOD4EG FDA SRS
    795752 eMolecules
    234394 BindingDB
    ZINC000003775294 ZINC
    CHEMBL329522 ChEMBL
    12014212 PubChem: Drugs of the Future
    CB1404889 ChemicalBook
    LSM-37157 LINCS
    J9.936H Nikkaji
    DTXSID9044950 EPA CompTox Dashboard
    125609 ChEBI
    EXIFONE clinicaltrials
    The data in this table is sourced from UniChem at EBI.