Dataset

ANDROSTERONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003427 contains the MS mass spectrum of ANDROSTERONE with the InChIkey QGXBDMJGAMFCBF-HLUDHZFRSA-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 [H]C(O)(C4)CC([H])(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(=O)C1
InChI Key QGXBDMJGAMFCBF-HLUDHZFRSA-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003427
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (3R,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:16032 chebi
    LMST02020001 lipidmaps
    AOI rcsb_pdb
    CHEMBL87285 chembl
    269981 surechembl
    5879 pubchem
    C24W7J5D5R fdasrs
    PD013295 probes_and_drugs
    ANDOON CCDC
    16628 brenda
    188744 brenda
    2394 brenda
    24529 brenda
    4481 brenda
    477 brenda
    6235 brenda
    HMDB0000031 hmdb
    17639 bindingdb
    The data in this table is sourced from UniChem at EBI.