Dataset

Testosterone; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+Na]+

This MassBank record with Accession MSBNK-UFZ-UF416035 contains the MS2 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 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF416035
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
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
    199277 bindingdb
    222212 bindingdb
    377173 bindingdb
    408613 bindingdb
    408651 bindingdb
    408670 bindingdb
    408689 bindingdb
    466248 bindingdb
    50314691 bindingdb
    50314701 bindingdb
    50371076 bindingdb
    50371099 bindingdb
    50611752 bindingdb
    50623941 bindingdb
    50735264 bindingdb
    50739474 bindingdb
    50744234 bindingdb
    50746954 bindingdb
    50772065 bindingdb
    50775307 bindingdb
    50775335 bindingdb
    50777224 bindingdb
    50789389 bindingdb
    50796318 bindingdb
    50811623 bindingdb
    50815274 bindingdb
    50822614 bindingdb
    50826623 bindingdb
    50829404 bindingdb
    50829458 bindingdb
    50829472 bindingdb
    50836230 bindingdb
    50836256 bindingdb
    50836259 bindingdb
    50841542 bindingdb
    50850774 bindingdb
    50850780 bindingdb
    50850817 bindingdb
    50851505 bindingdb
    50851544 bindingdb
    50863950 bindingdb
    50864666 bindingdb
    50919300 bindingdb
    50960135 bindingdb
    51001624 bindingdb
    51013482 bindingdb
    51013488 bindingdb
    51026875 bindingdb
    51035997 bindingdb
    51066085 bindingdb
    51066099 bindingdb
    51158553 bindingdb
    51160133 bindingdb
    51368438 bindingdb
    51468603 bindingdb
    51475493 bindingdb
    51484943 bindingdb
    51485302 bindingdb
    51541054 bindingdb
    2607 drugcentral
    The data in this table is sourced from UniChem at EBI.