Dataset

9-OH-Risperidone; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU156805 contains the MS2 mass spectrum of 9-OH-Risperidone with the InChIkey PMXMIIMHBWHSKN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
SMILES CC1=C(CCN2CCC(CC2)C2=NOC3=CC(F)=CC=C23)C(=O)N2CCCC(O)C2=N1
InChI Key PMXMIIMHBWHSKN-UHFFFAOYSA-N
Molecular Formula C23H27FN4O3
Exact Mass 426.207 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-Athens_Univ-AU156805
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MetadataPublished 2015-12-07
Related Molecule
  • 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-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
    DB01267 drugbank
    CHEBI:83804 chebi
    CHEMBL1621 chembl
    29409219 surechembl
    436689 surechembl
    115237 pubchem
    838F01T721 fdasrs
    7258 gtopdb
    PD009928 probes_and_drugs
    HMDB0015396 hmdb
    Molport-003-848-059 molport
    Molport-020-313-413 molport
    4137 drugcentral
    50252513 bindingdb
    The data in this table is sourced from UniChem at EBI.