Dataset

Corticosterone; LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103206_EF88 contains the MS2 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 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103206_EF88
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MetadataPublished 2022-04-07
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
    PD002785 probes_and_drugs
    CORTIC CCDC
    105740 brenda
    105741 brenda
    1103 brenda
    133126 brenda
    265565 brenda
    48438 brenda
    74691 brenda
    90650 brenda
    HMDB0001547 hmdb
    Molport-002-512-114 molport
    SLM:000485331 swisslipids
    50170653 bindingdb
    The data in this table is sourced from UniChem at EBI.