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
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    50248007 BindingDB
    FLUNISOLIDE ANHYDROUS rxnorm
    AEROSPAN rxnorm
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    RS-3999 clinicaltrials
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    AEROBID clinicaltrials
    NASALIDE clinicaltrials
    NASAREL clinicaltrials
    AEROSPAN clinicaltrials
    HY-B1121 MedChemExpress
    DTXSID1045534 EPA CompTox Dashboard
    1201 DrugCentral
    J3.402I Nikkaji
    7076 Guide to Pharmacology
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    ZINC000004097305 ZINC
    CB4404835 ChemicalBook
    flunisolide DailyMed
    HMDB0014326 Human Metabolome Database
    82153 PubChem
    SCHEMBL4351 SureChEMBL
    36553068 eMolecules
    30316176 eMolecules
    30513027 eMolecules
    14807742 PubChem: Thomson Pharma
    PD002992 ProbesDrugs
    78M02AA8KF FDA SRS
    14783343 PubChem: Thomson Pharma
    3385-03-3 ACToR
    PA449661 PharmGKB
    LSM-3089 LINCS
    The data in this table is sourced from UniChem at EBI.