Dataset

Capensine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00203 contains the MS2 mass spectrum of Capensine with the InChIkey QJZRVRVZRIXGMR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16O5/c1-9(2)6-7-19-15-11(18-3)8-10-4-5-12(16)20-14(10)13(15)17/h4-6,8,17H,7H2,1-3H3
SMILES CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1O)OC)C
InChI Key QJZRVRVZRIXGMR-UHFFFAOYSA-N
Molecular Formula C15H16O5
Exact Mass 276.100 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-BML00203
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 8-hydroxy-6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1327256 chembl
    14029297 surechembl
    644959 pubchem
    ORUWAC CCDC
    Molport-001-683-944 molport
    The data in this table is sourced from UniChem at EBI.