Dataset

Hydrocortisone; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81441 contains the MS mass spectrum of Hydrocortisone with the InChIkey JYGXADMDTFJGBT-VWUMJDOOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O5/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/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,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@@]4(C(=O)CO)O)C)O
InChI Key JYGXADMDTFJGBT-VWUMJDOOSA-N
Molecular Formula C21H30O5
Exact Mass 362.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81441
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00741 drugbank
    CHEBI:17650 chebi
    LMST02030001 lipidmaps
    HCY rcsb_pdb
    CHEMBL389621 chembl
    4148 surechembl
    5754 pubchem
    WI4X0X7BPJ fdasrs
    HCY pdbe
    PD002713 probes_and_drugs
    CORTSL CCDC
    104298 brenda
    104299 brenda
    104335 brenda
    260015 brenda
    265566 brenda
    37893 brenda
    42964 brenda
    44238 brenda
    49654 brenda
    74692 brenda
    86867 brenda
    9182 brenda
    919 brenda
    HMDB0000063 hmdb
    1388 drugcentral
    13775 bindingdb
    The data in this table is sourced from UniChem at EBI.