Dataset

Flumethasone; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU282305 contains the MS2 mass spectrum of Flumethasone with the InChIkey WXURHACBFYSXBI-GQKYHHCASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
InChI Key WXURHACBFYSXBI-GQKYHHCASA-N
Molecular Formula C22H28F2O5
Exact Mass 410.190 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-AU282305
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Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-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
    C14479 KEGG Ligand
    CHEMBL1201392 ChEMBL
    34764 ChEBI
    50240002 BindingDB
    FLUMETHASONE rxnorm
    HY-B1051 MedChemExpress
    J7.332F Nikkaji
    DTXSID2045365 EPA CompTox Dashboard
    4548 DrugCentral
    DB00663 DrugBank
    16490 PubChem
    PD012034 ProbesDrugs
    LR3CD8SX89 FDA SRS
    15426824 PubChem: Thomson Pharma
    LSM-3369 LINCS
    SCHEMBL4046 SureChEMBL
    2135-17-3 ACToR
    29543007 eMolecules
    538529 eMolecules
    ZINC000003983936 ZINC
    CB2324823 ChemicalBook
    MCULE-2421243179 Mcule
    The data in this table is sourced from UniChem at EBI.