Dataset

TETRAHYDROCORTISONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009700 contains the MS mass spectrum of TETRAHYDROCORTISONE with the InChIkey SYGWGHVTLUBCEM-ZIZPXRJBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H32O5/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/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/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([H])(CC(O)C2)C1
InChI Key SYGWGHVTLUBCEM-ZIZPXRJBSA-N
Molecular Formula C21H32O5
Exact Mass 364.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP009700
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MetadataPublished 2016-01-19
Related Molecule
  • (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J4.138F Nikkaji
    HY-113114 MedChemExpress
    9901 ChEBI
    LMST02030098 LipidMaps
    C05470 KEGG Ligand
    DTXSID70878591 EPA CompTox Dashboard
    43372 Brenda
    ZINC000003875358 ZINC
    30512645 eMolecules
    5866 PubChem
    14754954 PubChem: Thomson Pharma
    5HF9TM2D15 FDA SRS
    SCHEMBL193711 SureChEMBL
    53-05-4 ACToR
    PD126221 ProbesDrugs
    CHEMBL1908043 ChEMBL
    The data in this table is sourced from UniChem at EBI.