Dataset

Beclomethasone; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111010877 contains the MS2 mass spectrum of Beclomethasone with the InChIkey NBMKJKDGKREAPL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3
SMILES CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C
InChI Key NBMKJKDGKREAPL-UHFFFAOYSA-N
Molecular Formula C22H29ClO5
Exact Mass 408.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111010877
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MetadataPublished 2023-11-10
Related Molecule
  • 9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL13423587 SureChEMBL
    PD063200 ProbesDrugs
    2308 PubChem
    HMDB0248924 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.