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
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MetadataPublished 2016-01-19
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    41584 surechembl
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    220067 brenda
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    HMDB0015232 hmdb
    DTXSID8023474 comptox
    NCT00004652 clinicaltrials
    NCT00158223 clinicaltrials
    NCT00374244 clinicaltrials
    NCT02307396 clinicaltrials
    NCT02374567 clinicaltrials
    NCT02463825 clinicaltrials
    NCT03272503 clinicaltrials
    NCT04529226 clinicaltrials
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    Molport-001-736-597 molport
    2172 drugcentral
    50334150 bindingdb
    The data in this table is sourced from UniChem at EBI.