Dataset

Cortisone; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA000378 contains the MS mass spectrum of Cortisone with the InChIkey MFYSYFVPBJMHGN-ZPOLXVRWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
SMILES OCC(=O)C(O)(C4)C(C)(C3)C([H])(C4)C([H])(C1)C([H])(C(=O)3)C(C)(C2)C(=CC(=O)C2)C1
InChI Key MFYSYFVPBJMHGN-ZPOLXVRWSA-N
Molecular Formula C21H28O5
Exact Mass 360.194 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-WA000378
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB14681 drugbank
    CHEBI:16962 chebi
    LMST02030090 lipidmaps
    UQC rcsb_pdb
    CHEMBL1499 chembl
    4888 surechembl
    222786 pubchem
    V27W9254FZ fdasrs
    PD002781 probes_and_drugs
    DHPRTO CCDC
    104333 brenda
    112028 brenda
    74689 brenda
    90707 brenda
    920 brenda
    HMDB0002802 hmdb
    Molport-002-529-087 molport
    SLM:000485357 swisslipids
    13739 bindingdb
    The data in this table is sourced from UniChem at EBI.