Dataset

Finasteride; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF411501 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-UFZ-UF411501
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Maintainer
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MetadataPublished 2017-01-05
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
    306147 bindingdb
    424079 bindingdb
    424082 bindingdb
    50051101 bindingdb
    50371531 bindingdb
    50371538 bindingdb
    50445486 bindingdb
    50445490 bindingdb
    50458980 bindingdb
    50458982 bindingdb
    50573197 bindingdb
    50573199 bindingdb
    50583715 bindingdb
    50611739 bindingdb
    50618014 bindingdb
    50631156 bindingdb
    50640696 bindingdb
    50728188 bindingdb
    50728189 bindingdb
    50728548 bindingdb
    50733368 bindingdb
    50738935 bindingdb
    50739652 bindingdb
    50746897 bindingdb
    50766497 bindingdb
    50766506 bindingdb
    50768977 bindingdb
    50769083 bindingdb
    50770191 bindingdb
    50772254 bindingdb
    50772299 bindingdb
    50772327 bindingdb
    50772328 bindingdb
    50772513 bindingdb
    50775112 bindingdb
    50775126 bindingdb
    50775456 bindingdb
    50775458 bindingdb
    50776289 bindingdb
    50776938 bindingdb
    50777344 bindingdb
    50777706 bindingdb
    50779092 bindingdb
    50784682 bindingdb
    50784877 bindingdb
    50784889 bindingdb
    50784970 bindingdb
    50797174 bindingdb
    50797185 bindingdb
    50797705 bindingdb
    50797719 bindingdb
    50797721 bindingdb
    50797724 bindingdb
    50806217 bindingdb
    50806222 bindingdb
    50806225 bindingdb
    50806240 bindingdb
    50832000 bindingdb
    50832007 bindingdb
    50966412 bindingdb
    50966418 bindingdb
    50983789 bindingdb
    50983797 bindingdb
    51268186 bindingdb
    51268192 bindingdb
    51268199 bindingdb
    51268236 bindingdb
    51268247 bindingdb
    51268279 bindingdb
    51268281 bindingdb
    51268302 bindingdb
    Molport-002-500-272 molport
    1171 drugcentral
    The data in this table is sourced from UniChem at EBI.