Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU281201 contains the MS2 mass spectrum of Flunisolide with the InChIkey XSFJVAJPIHIPKU-XWCQMRHXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
SMILES [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
InChI Key XSFJVAJPIHIPKU-XWCQMRHXSA-N
Molecular Formula C24H31FO6
Exact Mass 434.210 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-AU281201
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MetadataPublished 2019-05-31
Related Molecule
  • (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00180 drugbank
    CHEBI:5106 chebi
    CHEMBL1512 chembl
    4351 surechembl
    82153 pubchem
    78M02AA8KF fdasrs
    PD002992 probes_and_drugs
    HMDB0014326 hmdb
    Molport-005-943-434 molport
    1201 drugcentral
    50248007 bindingdb
    The data in this table is sourced from UniChem at EBI.