Dataset

Apremilast; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01101756 contains the MS2 mass spectrum of Apremilast with the InChIkey IMOZEMNVLZVGJZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)
SMILES CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC
InChI Key IMOZEMNVLZVGJZ-UHFFFAOYSA-N
Molecular Formula C22H24N2O7S
Exact Mass 460.130 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101756
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • N-[2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL475165 chembl
    29393225 surechembl
    302671 surechembl
    10151715 pubchem
    N5UK68MGDZ fdasrs
    7372 gtopdb
    PD056333 probes_and_drugs
    HMDB0248531 hmdb
    Molport-042-676-268 molport
    50603812 bindingdb
    The data in this table is sourced from UniChem at EBI.