Dataset

Chlorthalidone; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA001140 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-WA001140
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MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00310 DrugBank
    CHEMBL1055 ChEMBL
    3654 ChEBI
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    25900 BindingDB
    J1.476A Nikkaji
    7147 Guide to Pharmacology
    625 DrugCentral
    DTXSID4022812 EPA CompTox Dashboard
    CHLORTALIDONE clinicaltrials
    HY-15833 MedChemExpress
    Q0MQD1073Q FDA SRS
    CHLORTHALIDONE rxnorm
    THALITONE clinicaltrials
    CHLORTHALIDONE clinicaltrials
    HYGROTON clinicaltrials
    2732 PubChem
    chlorthalidone-chlortalidone Selleck
    PA448970 PharmGKB
    14924761 PubChem: Thomson Pharma
    PD002421 ProbesDrugs
    LSM-1417 LINCS
    77-36-1 ACToR
    535944 eMolecules
    5949 Brenda
    chlorthalidone DailyMed
    CB3233539 ChemicalBook
    HMDB0014455 Human Metabolome Database
    MCULE-6661021422 Mcule
    SCHEMBL26234 SureChEMBL
    The data in this table is sourced from UniChem at EBI.