Dataset

Cantharidin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80880 contains the MS mass spectrum of Cantharidin with the InChIkey DHZBEENLJMYSHQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3
SMILES CC12C3CCC(C1(C(=O)OC2=O)C)O3
InChI Key DHZBEENLJMYSHQ-UHFFFAOYSA-N
Molecular Formula C10H12O4
Exact Mass 196.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80880
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:93862 chebi
    CHEMBL8066 chembl
    1805181 surechembl
    2545 pubchem
    13081 gtopdb
    PD002779 probes_and_drugs
    HMDB0249592 hmdb
    The data in this table is sourced from UniChem at EBI.