Dataset

6-beta-Hydroxycortisol; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU283803 contains the MS2 mass spectrum of 6-beta-Hydroxycortisol with the InChIkey GNFTWPCIRXSCQF-UJXAPRPESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1
SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
InChI Key GNFTWPCIRXSCQF-UJXAPRPESA-N
Molecular Formula C21H30O6
Exact Mass 378.204 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-Athens_Univ-AU283803
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MetadataPublished 2019-05-31
Related Molecule
  • (6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-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
    CHEBI:139271 chebi
    LMST02030269 lipidmaps
    CHEMBL1389133 chembl
    142686 surechembl
    6852390 pubchem
    J37WKJ5Y50 fdasrs
    DTXSID80425873 comptox
    The data in this table is sourced from UniChem at EBI.