Dataset

Bicalutamide; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL2311095981 contains the MS2 mass spectrum of Bicalutamide with the InChIkey LKJPYSCBVHEWIU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
SMILES CC(O)(C[S](=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F
InChI Key LKJPYSCBVHEWIU-UHFFFAOYSA-N
Molecular Formula C18H14F4N2O4S
Exact Mass 430.061 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095981
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.