Dataset

Canrenone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU239460 contains the MS2 mass spectrum of Canrenone with the InChIkey UJVLDDZCTMKXJK-AFDHUMPMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17-,18-,20?,21?,22?/m0/s1
SMILES CC12CC[C@H]3C(C=CC4=CC(=O)CCC34C)[C@@H]1CCC21CCC(=O)O1
InChI Key UJVLDDZCTMKXJK-AFDHUMPMSA-N
Molecular Formula C22H28O3
Exact Mass 340.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU239460
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Author
Maintainer
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MetadataPublished 2019-03-29
Related Molecule
  • (9S,14S)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26941609 eMolecules
    181292 ChEBI
    24728626 PubChem
    The data in this table is sourced from UniChem at EBI.