Dataset

Risperidone; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000535 contains the MS mass spectrum of Risperidone with the InChIkey RAPZEAPATHNIPO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
SMILES Fc(c5)cc(o4)c(c5)c(n4)C(C3)CCN(C3)CCC(=C(C)1)C(=O)N(C2)C(CCC2)=N1
InChI Key RAPZEAPATHNIPO-UHFFFAOYSA-N
Molecular Formula C23H27FN4O2
Exact Mass 410.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000535
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00734 drugbank
    CHEBI:8871 chebi
    8NU rcsb_pdb
    CHEMBL85 chembl
    27911 surechembl
    29392548 surechembl
    5073 pubchem
    L6UH7ZF8HC fdasrs
    8NU pdbe
    96 gtopdb
    PD000218 probes_and_drugs
    WASTEP CCDC
    145072 brenda
    145986 brenda
    26594 brenda
    HMDB0005020 hmdb
    Molport-002-885-858 molport
    2389 drugcentral
    50001885 bindingdb
    The data in this table is sourced from UniChem at EBI.