Dataset

Dexamethasone; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000575 contains the MS mass spectrum of Dexamethasone with the InChIkey UREBDLICKHMUKA-CXSFZGCWSA-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+/m1/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-CXSFZGCWSA-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-WA000575
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (8S,9R,10S,11S,13S,14S,16R,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
    C15643 KEGG Ligand
    DB01234 DrugBank
    CHEMBL384467 ChEMBL
    DEX PDBe
    SAM002548948 NIH Clinical Collection
    12012603 PubChem: Drugs of the Future
    DEXAMETHASONE rxnorm
    DEXASONE rxnorm
    MAXITROL rxnorm
    DEXYCU rxnorm
    OZURDEX rxnorm
    MAXIDEX rxnorm
    AEROSEB-DEX clinicaltrials
    OZURDEX clinicaltrials
    DEXYCU clinicaltrials
    DEXA-SINE clinicaltrials
    DEXACORTAL clinicaltrials
    DEXACORTIN clinicaltrials
    DEXAMETHASONE clinicaltrials
    DEXAMONOZON clinicaltrials
    DEXAPOS clinicaltrials
    DEXASONE clinicaltrials
    DEXONE clinicaltrials
    DEXTENZA clinicaltrials
    FORTECORTIN clinicaltrials
    DECASPRAY clinicaltrials
    ISV-305 clinicaltrials
    DECADERM clinicaltrials
    DECADRON clinicaltrials
    MAXIDEX clinicaltrials
    HEXADROL clinicaltrials
    NSC-34521 clinicaltrials
    LOVERINE clinicaltrials
    OTO-104 clinicaltrials
    HY-14648 MedChemExpress
    147690 Brenda
    DTXSID3020384 EPA CompTox Dashboard
    824 DrugCentral
    3447 Guide to Pharmacology
    2768 Guide to Pharmacology
    J1.356K Nikkaji
    DEXMET CCDC
    18207 BindingDB
    DEXAMETHASONE DailyMed
    152027 Brenda
    HEMADY rxnorm
    DECADRON rxnorm
    DEXTENZA rxnorm
    5743 PubChem
    PD003027 ProbesDrugs
    HEMADY clinicaltrials
    dexamethasone Atlas
    7S5I7G3JQL FDA SRS
    LSM-5512 LINCS
    14805314 PubChem: Thomson Pharma
    23495-06-9 ACToR
    PA449247 PharmGKB
    Dexamethasone Selleck
    14805313 PubChem: Thomson Pharma
    137098-19-2 ACToR
    30067429 eMolecules
    31411022 eMolecules
    29541178 eMolecules
    497104 eMolecules
    48979 Brenda
    HMDB0015364 Human Metabolome Database
    CB4261243 ChemicalBook
    dexamethasone DailyMed
    ZINC000003875332 ZINC
    48978 Brenda
    1159 Brenda
    MCULE-4773827191 Mcule
    SCHEMBL3774 SureChEMBL
    41879 ChEBI
    The data in this table is sourced from UniChem at EBI.