Dataset

Budesonide; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA001156 contains the MS mass spectrum of Budesonide with the InChIkey VOVIALXJUBGFJZ-KWVAZRHASA-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 C(C31[H])(O)CC(C4(C(=O)CO)5)(C(CC4OC(CCC)O5)(C1([H])CCC(C3(C)2)=CC(=O)C=C2)[H])C
InChI Key VOVIALXJUBGFJZ-KWVAZRHASA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001156
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1S,2S,4R,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
    DB01222 drugbank
    CHEBI:3207 chebi
    CHEMBL1370 chembl
    4096 surechembl
    5281004 pubchem
    Q3OKS62Q6X fdasrs
    PD002795 probes_and_drugs
    52466 brenda
    HMDB0015353 hmdb
    1243083 bindingdb
    1319615 bindingdb
    50305571 bindingdb
    50664384 bindingdb
    50775599 bindingdb
    50775782 bindingdb
    50776000 bindingdb
    50776071 bindingdb
    50778983 bindingdb
    50781662 bindingdb
    50781719 bindingdb
    50781738 bindingdb
    50781743 bindingdb
    50781769 bindingdb
    50781778 bindingdb
    50781792 bindingdb
    50781811 bindingdb
    50889588 bindingdb
    50913931 bindingdb
    50915242 bindingdb
    50915243 bindingdb
    50954130 bindingdb
    50976674 bindingdb
    51039436 bindingdb
    51061644 bindingdb
    51115433 bindingdb
    51115440 bindingdb
    51115447 bindingdb
    51265952 bindingdb
    51360771 bindingdb
    988346 bindingdb
    Molport-002-529-265 molport
    419 drugcentral
    The data in this table is sourced from UniChem at EBI.