Dataset

Corticosterone; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA001127 contains the MS mass spectrum of Corticosterone with the InChIkey OMFXVFTZEKFJBZ-HJTSIMOOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
SMILES OCC(=O)C(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 OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Molecular Formula C21H30O4
Exact Mass 346.214 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-WA001127
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04652 drugbank
    CHEBI:16827 chebi
    LMST02030186 lipidmaps
    C0R rcsb_pdb
    CHEMBL110739 chembl
    22612 surechembl
    5753 pubchem
    W980KJ009P fdasrs
    C0R pdbe
    PD002785 probes_and_drugs
    CORTIC CCDC
    105740 brenda
    105741 brenda
    1103 brenda
    133126 brenda
    265565 brenda
    48438 brenda
    74691 brenda
    90650 brenda
    HMDB0001547 hmdb
    DTXSID6022474 comptox
    NCT01079455 clinicaltrials
    Molport-002-512-114 molport
    50170653 bindingdb
    The data in this table is sourced from UniChem at EBI.