Dataset

Betamethasone dipropionate; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU283201 contains the MS2 mass spectrum of Betamethasone dipropionate with the InChIkey CIWBQSYVNNPZIQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3
SMILES CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C
InChI Key CIWBQSYVNNPZIQ-UHFFFAOYSA-N
Molecular Formula C28H37FO7
Exact Mass 504.252 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-AU283201
Version
Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • [2-(9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0249160 Human Metabolome Database
    CHEMBL1449610 ChEMBL
    PD055727 ProbesDrugs
    546807 PubChem
    MCULE-9093329990 Mcule
    The data in this table is sourced from UniChem at EBI.