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
Version
Author
Maintainer
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MetadataPublished 2016-02-21
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5073 PubChem
    PD000218 ProbesDrugs
    L6UH7ZF8HC FDA SRS
    14904216 PubChem: Thomson Pharma
    SCHEMBL27911 SureChEMBL
    106266-06-2 ACToR
    PA451257 PharmGKB
    LSM-3193 LINCS
    902418 eMolecules
    CB9131730 ChemicalBook
    risperidone DailyMed
    26594 Brenda
    145072 Brenda
    145986 Brenda
    HMDB0005020 Human Metabolome Database
    8NU PDBe
    MCULE-4027175053 Mcule
    50001885 BindingDB
    WASTEP CCDC
    J138.382E Nikkaji
    ZINC000000538312 ZINC
    2389 DrugCentral
    DTXSID8045193 EPA CompTox Dashboard
    HY-11018 MedChemExpress
    RISPERIDONE clinicaltrials
    RISPERDAL clinicaltrials
    LY-03004 clinicaltrials
    R-64766 clinicaltrials
    R-64,766 clinicaltrials
    RCN3028 clinicaltrials
    RCN-3028 clinicaltrials
    PERSERIS clinicaltrials
    N05AX08 clinicaltrials
    RISPERDAL rxnorm
    PERSERIS rxnorm
    RISPERIDONE rxnorm
    RISPERIDONE DailyMed
    CB41565182 ChemicalBook
    Risperidone(Risperdal) Selleck
    CB63154711 ChemicalBook
    DB00734 DrugBank
    8871 ChEBI
    SAM001246595 NIH Clinical Collection
    12013967 PubChem: Drugs of the Future
    96 Guide to Pharmacology
    CHEMBL85 ChEMBL
    The data in this table is sourced from UniChem at EBI.