Dataset

Risperidone; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU150504 contains the MS2 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 Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)F
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU150504
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Maintainer
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MetadataPublished 2016-02-21
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
    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.