Dataset

9-OH-Risperidone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU156801 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-AU156801
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Author
Maintainer
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MetadataPublished 2015-12-07
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0015396 Human Metabolome Database
    CB9222359 ChemicalBook
    paliperidone DailyMed
    PA163518919 PharmGKB
    SCHEMBL436689 SureChEMBL
    PD009928 ProbesDrugs
    CB2649179 ChemicalBook
    115237 PubChem
    14905143 PubChem: Thomson Pharma
    130049-84-2 ACToR
    8321735 eMolecules
    PALIPERIDONE clinicaltrials
    7258 Guide to Pharmacology
    J508.304D Nikkaji
    4137 DrugCentral
    PALIPERIDONE DailyMed
    PALIPERIDONE rxnorm
    INVEGA rxnorm
    LSM-46209 LINCS
    INVEGA clinicaltrials
    RO-76477 clinicaltrials
    RO76477 clinicaltrials
    83804 ChEBI
    R-76477 clinicaltrials
    HY-A0019 MedChemExpress
    838F01T721 FDA SRS
    MCULE-5597043685 Mcule
    50252513 BindingDB
    DB01267 DrugBank
    22395187 PubChem: Drugs of the Future
    CHEMBL1621 ChEMBL
    The data in this table is sourced from UniChem at EBI.