Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU283104 contains the MS2 mass spectrum of Fluticasone propionate with the InChIkey WMWTYOKRWGGJOA-CENSZEJFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1
SMILES CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF
InChI Key WMWTYOKRWGGJOA-CENSZEJFSA-N
Molecular Formula C25H31F3O5S
Exact Mass 500.184 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-AU283104
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-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
    DB00588 drugbank
    CHEBI:31441 chebi
    CHEMBL1473 chembl
    4068 surechembl
    444036 pubchem
    O2GMZ0LF5W fdasrs
    PD002989 probes_and_drugs
    DAXYUX CCDC
    HMDB0005036 hmdb
    Molport-003-847-468 molport
    1225 drugcentral
    50354849 bindingdb
    The data in this table is sourced from UniChem at EBI.