Dataset

Haloperidol; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA002247 contains the MS mass spectrum of Haloperidol with the InChIkey LNEPOXFFQSENCJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
SMILES Fc(c3)ccc(c3)C(=O)CCCN(C2)CCC(O)(C2)c(c1)ccc(Cl)c1
InChI Key LNEPOXFFQSENCJ-UHFFFAOYSA-N
Molecular Formula C21H23ClFNO2
Exact Mass 375.140 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-WA002247
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00502 drugbank
    CHEBI:5613 chebi
    GMJ rcsb_pdb
    CHEMBL54 chembl
    8264 surechembl
    3559 pubchem
    J6292F8L3D fdasrs
    GMJ pdbe
    86 gtopdb
    PD002312 probes_and_drugs
    HALDOL CCDC
    271418 brenda
    3539 brenda
    75627 brenda
    78069 brenda
    HMDB0014645 hmdb
    Molport-000-883-311 molport
    1353 drugcentral
    21398 bindingdb
    50019951 bindingdb
    The data in this table is sourced from UniChem at EBI.