Dataset

Clobetasol propionate; LC-ESI-QTOF; MS2; CE: Ramp 24.9-37.4 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU283706 contains the MS2 mass spectrum of Clobetasol propionate with the InChIkey CBGUOGMQLZIXBE-XGQKBEPLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
SMILES CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
InChI Key CBGUOGMQLZIXBE-XGQKBEPLSA-N
Molecular Formula C25H32ClFO5
Exact Mass 466.192 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-AU283706
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01013 drugbank
    CHEBI:31414 chebi
    XRD rcsb_pdb
    CHEMBL1159650 chembl
    3997 surechembl
    32798 pubchem
    779619577M fdasrs
    XRD pdbe
    PD003199 probes_and_drugs
    AMAVOZ CCDC
    DTXSID6045907 comptox
    NCT00400725 clinicaltrials
    NCT00436540 clinicaltrials
    NCT00437255 clinicaltrials
    NCT00438399 clinicaltrials
    NCT00655512 clinicaltrials
    NCT00658788 clinicaltrials
    NCT00733954 clinicaltrials
    NCT00828464 clinicaltrials
    NCT00842153 clinicaltrials
    NCT00852761 clinicaltrials
    NCT00862654 clinicaltrials
    NCT00862654 clinicaltrials
    NCT00862654 clinicaltrials
    NCT00864240 clinicaltrials
    NCT00864500 clinicaltrials
    NCT00881868 clinicaltrials
    NCT00988637 clinicaltrials
    NCT00988637 clinicaltrials
    NCT01012713 clinicaltrials
    NCT01043224 clinicaltrials
    NCT01111981 clinicaltrials
    NCT01126255 clinicaltrials
    NCT01235442 clinicaltrials
    NCT01282515 clinicaltrials
    NCT01323673 clinicaltrials
    NCT01381445 clinicaltrials
    NCT01453686 clinicaltrials
    NCT01703325 clinicaltrials
    NCT01745133 clinicaltrials
    NCT01893567 clinicaltrials
    NCT02131324 clinicaltrials
    NCT02313870 clinicaltrials
    NCT02313870 clinicaltrials
    NCT02355639 clinicaltrials
    NCT02360202 clinicaltrials
    NCT02368886 clinicaltrials
    NCT02376049 clinicaltrials
    NCT02392130 clinicaltrials
    NCT02487212 clinicaltrials
    NCT02573883 clinicaltrials
    NCT02733874 clinicaltrials
    NCT02936492 clinicaltrials
    NCT02940002 clinicaltrials
    NCT02973776 clinicaltrials
    NCT03026478 clinicaltrials
    NCT03386643 clinicaltrials
    NCT03535233 clinicaltrials
    NCT03592342 clinicaltrials
    NCT03758365 clinicaltrials
    NCT03847389 clinicaltrials
    NCT03926377 clinicaltrials
    NCT04246801 clinicaltrials
    NCT04249076 clinicaltrials
    NCT04364555 clinicaltrials
    NCT04649697 clinicaltrials
    NCT04951206 clinicaltrials
    NCT05364515 clinicaltrials
    NCT05706870 clinicaltrials
    NCT05724446 clinicaltrials
    NCT05885269 clinicaltrials
    NCT06042647 clinicaltrials
    NCT06363539 clinicaltrials
    4452 drugcentral
    39347 bindingdb
    The data in this table is sourced from UniChem at EBI.