Dataset

Betamethasone; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001166 contains the MS mass spectrum of Betamethasone with the InChIkey UREBDLICKHMUKA-DVTGEIKXSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
SMILES OCC(=O)C(O)(C(C)4)C(C)(C3)C([H])(C4)C([H])(C1)C(F)(C(O)3)C(C)(C=2)C(=CC(=O)C2)C1
InChI Key UREBDLICKHMUKA-DVTGEIKXSA-N
Molecular Formula C22H29FO5
Exact Mass 392.200 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-WA001166
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-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
    TACLONEX rxnorm
    BETAMETHASONE rxnorm
    LOTRISONE rxnorm
    CELESTONE clinicaltrials
    BETAMETHASONE clinicaltrials
    RINDERON clinicaltrials
    BETAMETHASONE DailyMed
    43871 Brenda
    DTXSID3022667 EPA CompTox Dashboard
    348 DrugCentral
    7061 Guide to Pharmacology
    J2.038I Nikkaji
    73823 BindingDB
    HY-13570 MedChemExpress
    CHEMBL632 ChEMBL
    3077 ChEBI
    DB00443 DrugBank
    HMDB0014586 Human Metabolome Database
    105589 Brenda
    ZINC000003876136 ZINC
    betamethasone DailyMed
    CB7392335 ChemicalBook
    SCHEMBL4565 SureChEMBL
    9842X06Q6M FDA SRS
    PD010025 ProbesDrugs
    LSM-2864 LINCS
    15004923 PubChem: Thomson Pharma
    14756597 PubChem: Thomson Pharma
    9782 PubChem
    Betamethasone-(Celestone) Selleck
    PA164754818 PharmGKB
    378-44-9 ACToR
    31224942 eMolecules
    535310 eMolecules
    The data in this table is sourced from UniChem at EBI.