Dataset

Tiapride; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU227804 contains the MS2 mass spectrum of Tiapride with the InChIkey JTVPZMFULRWINT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
SMILES CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C
InChI Key JTVPZMFULRWINT-UHFFFAOYSA-N
Molecular Formula C15H24N2O4S
Exact Mass 328.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU227804
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MetadataPublished 2018-12-19
Related Molecule
  • N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL84158 ChEMBL
    TIAPRIDE rxnorm
    TIAPRIDAL clinicaltrials
    TIAPRIDE HYDROCHLORIDE clinicaltrials
    TIAPRIDE clinicaltrials
    82073 BindingDB
    MCULE-5546780960 Mcule
    94666 ChEBI
    ZINC000001542927 ZINC
    DB13025 DrugBank
    J11.205D Nikkaji
    BUFCOU CCDC
    DTXSID0023664 EPA CompTox Dashboard
    2651 DrugCentral
    20207532 NMRShiftDB
    SCHEMBL34750 SureChEMBL
    75629 Brenda
    HMDB0042039 Human Metabolome Database
    14753076 PubChem: Thomson Pharma
    5467 PubChem
    PD013238 ProbesDrugs
    LSM-5676 LINCS
    51012-32-9 ACToR
    LAH70H9JPH FDA SRS
    594579 eMolecules
    The data in this table is sourced from UniChem at EBI.