Dataset

Kotanin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

This MassBank record with Accession MSBNK-AAFC-AC000182 contains the MS2 mass spectrum of Kotanin with the InChIkey CSJOUDOXDHMIAH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H22O8/c1-11-7-13(27-3)21(23-19(11)15(29-5)9-17(25)31-23)22-14(28-4)8-12(2)20-16(30-6)10-18(26)32-24(20)22/h7-10H,1-6H3
SMILES CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)OC
InChI Key CSJOUDOXDHMIAH-UHFFFAOYSA-N
Molecular Formula C24H22O8
Exact Mass 438.131 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-AAFC-AC000182
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MetadataPublished 2017-07-07
Related Molecule
  • 8-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-4,7-dimethoxy-5-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:64454 chebi
    CHEMBL4634315 chembl
    1696046 surechembl
    34059 pubchem
    PD078110 probes_and_drugs
    Molport-046-426-650 molport
    The data in this table is sourced from UniChem at EBI.