Dataset

Dihydrotestosterone; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU280505 contains the MS2 mass spectrum of Dihydrotestosterone with the InChIkey NVKAWKQGWWIWPM-ABEVXSGRSA-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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
InChI Key NVKAWKQGWWIWPM-ABEVXSGRSA-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-AU280505
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02901 drugbank
    CHEBI:16330 chebi
    LMST02020042 lipidmaps
    DHT rcsb_pdb
    CHEMBL27769 chembl
    15163 surechembl
    10635 pubchem
    08J2K08A3Y fdasrs
    DHT pdbe
    PD012320 probes_and_drugs
    HANDRO CCDC
    104347 brenda
    104356 brenda
    105443 brenda
    107938 brenda
    11107 brenda
    13107 brenda
    172580 brenda
    174924 brenda
    18699 brenda
    2055 brenda
    217860 brenda
    2393 brenda
    260371 brenda
    2703 brenda
    737 brenda
    8094 brenda
    95659 brenda
    HMDB0002961 hmdb
    3927 drugcentral
    18161 bindingdb
    50366473 bindingdb
    The data in this table is sourced from UniChem at EBI.