Dataset

Pimozide; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA002193 contains the MS mass spectrum of Pimozide with the InChIkey YVUQSNJEYSNKRX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
SMILES C(C1N(C(=O)5)c(c4)c(N5)ccc4)CN(CCCC(c(c3)ccc(c3)F)c(c2)ccc(c2)F)CC1
InChI Key YVUQSNJEYSNKRX-UHFFFAOYSA-N
Molecular Formula C28H29F2N3O
Exact Mass 461.228 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-WA002193
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    593283 eMolecules
    14882544 PubChem: Thomson Pharma
    PA450965 PharmGKB
    16362 PubChem
    2062-78-4 ACToR
    LSM-2001 LINCS
    1HIZ4DL86F FDA SRS
    PD001879 ProbesDrugs
    SCHEMBL41584 SureChEMBL
    MCULE-9624510567 Mcule
    220067 Brenda
    ZINC000004175630 ZINC
    72164 Brenda
    HMDB0015232 Human Metabolome Database
    pimozide DailyMed
    CB7290660 ChemicalBook
    DB01100 DrugBank
    8212 ChEBI
    C07566 KEGG Ligand
    90 Guide to Pharmacology
    CHEMBL1423 ChEMBL
    12013418 PubChem: Drugs of the Future
    50334150 BindingDB
    PIMOZIDE DailyMed
    PIMOZIDE rxnorm
    ORAP rxnorm
    PIMOZIDE clinicaltrials
    1II PDBe
    HY-12987 MedChemExpress
    DTXSID8023474 EPA CompTox Dashboard
    2172 DrugCentral
    J3.698F Nikkaji
    R-6238 clinicaltrials
    The data in this table is sourced from UniChem at EBI.