Dataset

Ticlopidine; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000633 contains the MS mass spectrum of Ticlopidine with the InChIkey PHWBOXQYWZNQIN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
SMILES Clc(c3)c(ccc3)CN(C1)Cc(c2)c(sc2)C1
InChI Key PHWBOXQYWZNQIN-UHFFFAOYSA-N
Molecular Formula C14H14ClNS
Exact Mass 263.054 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-WA000633
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00208 drugbank
    CHEBI:9588 chebi
    TIC rcsb_pdb
    CHEMBL833 chembl
    29379997 surechembl
    4204 surechembl
    5472 pubchem
    OM90ZUW7M1 fdasrs
    7307 gtopdb
    PD010172 probes_and_drugs
    155123 brenda
    HMDB0014353 hmdb
    Molport-002-507-849 molport
    2657 drugcentral
    85509 bindingdb
    The data in this table is sourced from UniChem at EBI.