Dataset

Chlorthalidone; LC-ESI-Q; MS; POS; 30 V, 45 V

This MassBank record with Accession MSBNK-Waters-WA001144 contains the MS mass spectrum of Chlorthalidone with the InChIkey JIVPVXMEBJLZRO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
SMILES O=C(N1)c(c3)c(ccc3)C(O)1c(c2)cc(c(Cl)c2)S(N)(=O)=O
InChI Key JIVPVXMEBJLZRO-UHFFFAOYSA-N
Molecular Formula C14H11ClN2O4S
Exact Mass 338.013 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-WA001144
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00310 drugbank
    CHEBI:3654 chebi
    CHEMBL1055 chembl
    26234 surechembl
    29687442 surechembl
    2732 pubchem
    Q0MQD1073Q fdasrs
    7147 gtopdb
    PD002421 probes_and_drugs
    5949 brenda
    HMDB0014455 hmdb
    413574 bindingdb
    413577 bindingdb
    413580 bindingdb
    413583 bindingdb
    50772191 bindingdb
    50773683 bindingdb
    50776636 bindingdb
    50776818 bindingdb
    Molport-002-736-049 molport
    625 drugcentral
    The data in this table is sourced from UniChem at EBI.