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
    50354849 BindingDB
    DAXYUX CCDC
    FLUTICASONE PROPIONATE DailyMed
    FLOVENT rxnorm
    CUTIVATE rxnorm
    FLUTICASONE PROPIONATE rxnorm
    FLUTICASONE rxnorm
    FLONASE rxnorm
    XHANCE rxnorm
    PF-00241939 clinicaltrials
    FLUTICASONE PROPIONATE clinicaltrials
    FLIXOTIDE clinicaltrials
    FLONASE clinicaltrials
    FLOVENT clinicaltrials
    CUTIVATE clinicaltrials
    ARMONAIR RESPICLICK clinicaltrials
    CCI-18781 clinicaltrials
    XHANCE clinicaltrials
    HY-B0154 MedChemExpress
    1225 DrugCentral
    7080 Guide to Pharmacology
    J457.058H Nikkaji
    CB94798094 ChemicalBook
    CB52622685 ChemicalBook
    CB5274961 ChemicalBook
    DB00588 DrugBank
    12014563 PubChem: Drugs of the Future
    CHEMBL1473 ChEMBL
    31441 ChEBI
    SAM001246583 NIH Clinical Collection
    ZINC000003920027 ZINC
    fluticasone propionate DailyMed
    CB1252206 ChemicalBook
    HMDB0005036 Human Metabolome Database
    PA449686 PharmGKB
    SCHEMBL4068 SureChEMBL
    14908833 PubChem: Thomson Pharma
    444036 PubChem
    PD002989 ProbesDrugs
    CCI18781 clinicaltrials
    14762134 PubChem: Thomson Pharma
    LSM-3384 LINCS
    fluticasone-propionate-Flonase-Veramyst Selleck
    O2GMZ0LF5W FDA SRS
    31226118 eMolecules
    2736271 eMolecules
    The data in this table is sourced from UniChem at EBI.