Dataset

Corticosterone; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103228_9CB7 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_N103228_9CB7
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MetadataPublished 2022-04-09
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
    53834312 PubChem: Thomson Pharma
    60020655 NMRShiftDB
    PD002785 ProbesDrugs
    LSM-5814 LINCS
    crtstrn Recon
    50-22-6 ACToR
    W980KJ009P FDA SRS
    493533 eMolecules
    5753 PubChem
    MCULE-1874567277 Mcule
    SCHEMBL22612 SureChEMBL
    105741 Brenda
    HMDB0001547 Human Metabolome Database
    16827 Rhea
    CB7418589 ChemicalBook
    ZINC000013513592 ZINC
    1103 Brenda
    133126 Brenda
    74691 Brenda
    105740 Brenda
    90650 Brenda
    MTBLC16827 Metabolights
    16827 ChEBI
    C0R PDBe
    C02140 KEGG Ligand
    DB04652 DrugBank
    CHEMBL110739 ChEMBL
    HY-B1618 MedChemExpress
    DTXSID6022474 EPA CompTox Dashboard
    LMST02030186 LipidMaps
    2869 Guide to Pharmacology
    J5.239F Nikkaji
    CORTIC CCDC
    50170653 BindingDB
    CORTICOSTERONE clinicaltrials
    48438 Brenda
    SAM001246879 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.