Dataset

TESTOSTERONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004121 contains the MS mass spectrum of TESTOSTERONE with the InChIkey MUMGGOZAMZWBJJ-DYKIIFRCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
InChI Key MUMGGOZAMZWBJJ-DYKIIFRCSA-N
Molecular Formula C19H28O2
Exact Mass 288.209 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-JP004121
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00624 drugbank
    CHEBI:17347 chebi
    LMST02020002 lipidmaps
    TES rcsb_pdb
    CHEMBL386630 chembl
    8452 surechembl
    6013 pubchem
    3XMK78S47O fdasrs
    PD002847 probes_and_drugs
    TESTON CCDC
    104350 brenda
    123732 brenda
    124288 brenda
    125897 brenda
    127079 brenda
    135765 brenda
    15547 brenda
    284 brenda
    42993 brenda
    86874 brenda
    HMDB0000234 hmdb
    2607 drugcentral
    8885 bindingdb
    The data in this table is sourced from UniChem at EBI.