Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU282205 contains the MS2 mass spectrum of Budesonide with the InChIkey VOVIALXJUBGFJZ-VXKMTNQYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@H](CCC)O2)C(=O)CO
InChI Key VOVIALXJUBGFJZ-VXKMTNQYSA-N
Molecular Formula C25H34O6
Exact Mass 430.236 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-AU282205
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • (1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-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
    CHEBI:181323 chebi
    8W5 rcsb_pdb
    CHEMBL2110662 chembl
    4095 surechembl
    40000 pubchem
    2HI1006KPH fdasrs
    PD021645 probes_and_drugs
    RHBUXP CCDC
    8W5 pdbe
    Molport-003-986-909 molport
    The data in this table is sourced from UniChem at EBI.