Dataset

Ticlopidine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000632 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-WA000632
Version
Author
Maintainer
Language
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
    53-32C clinicaltrials
    TICLOPIDINE DailyMed
    CB7674370 ChemicalBook
    7307 Guide to Pharmacology
    TICLOPIDINE HYDROCHLORIDE rxnorm
    TICLOPIDINE rxnorm
    85509 BindingDB
    TICLID clinicaltrials
    TICLID rxnorm
    TICLOPIDINE HYDROCHLORIDE clinicaltrials
    TICLOPIDINE clinicaltrials
    J11.390E Nikkaji
    2657 DrugCentral
    DTXSID5023669 EPA CompTox Dashboard
    OM90ZUW7M1 FDA SRS
    CHEMBL833 ChEMBL
    C07140 KEGG Ligand
    TIC PDBe
    9588 ChEBI
    DB00208 DrugBank
    MCULE-3971692083 Mcule
    ZINC000019594599 ZINC
    155123 Brenda
    ticlopidine DailyMed
    HMDB0014353 Human Metabolome Database
    902580 eMolecules
    5472 PubChem
    PD010172 ProbesDrugs
    ticlopidine Atlas
    LSM-1986 LINCS
    15197138 PubChem: Thomson Pharma
    SCHEMBL4204 SureChEMBL
    PA451686 PharmGKB
    55142-85-3 ACToR
    The data in this table is sourced from UniChem at EBI.