Dataset

Finasteride; LC-ESI-QTOF; MS2; CE: Ramp 23.1-34.6 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU270206 contains the MS2 mass spectrum of Finasteride with the InChIkey DBEPLOCGEIEOCV-WSBQPABSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
InChI Key DBEPLOCGEIEOCV-WSBQPABSSA-N
Molecular Formula C23H36N2O2
Exact Mass 372.278 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-AU270206
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MetadataPublished 2019-05-30
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01216 drugbank
    CHEBI:5062 chebi
    FIT rcsb_pdb
    CHEMBL710 chembl
    5509 surechembl
    57363 pubchem
    57GNO57U7G fdasrs
    PD002995 probes_and_drugs
    WOLXOK CCDC
    1012 brenda
    132256 brenda
    40816 brenda
    HMDB0001984 hmdb
    Molport-002-500-272 molport
    1171 drugcentral
    50334788 bindingdb
    The data in this table is sourced from UniChem at EBI.