Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU281803 contains the MS2 mass spectrum of Epiandrosterone with the InChIkey QGXBDMJGAMFCBF-LUJOEAJASA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
InChI Key QGXBDMJGAMFCBF-LUJOEAJASA-N
Molecular Formula C19H30O2
Exact Mass 290.225 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-AU281803
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • (3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:541975 chebi
    LMST02020023 lipidmaps
    AOX rcsb_pdb
    CHEMBL272195 chembl
    295167 surechembl
    441302 pubchem
    8TR252Z538 fdasrs
    PD011970 probes_and_drugs
    ANDRON CCDC
    103879 brenda
    11108 brenda
    19992 brenda
    4812 brenda
    48652 brenda
    91588 brenda
    SLM:000485315 swisslipids
    50236240 bindingdb
    The data in this table is sourced from UniChem at EBI.