Dataset

Althiazide; LC-ESI-Q; MS; POS; 60 V, 75 V

This MassBank record with Accession MSBNK-Waters-WA001753 contains the MS mass spectrum of Althiazide with the InChIkey VGLGVJVUHYTIIU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)
SMILES C=CCSCC(N1)NS(=O)(=O)c(c2)c1cc(Cl)c2S(N)(=O)=O
InChI Key VGLGVJVUHYTIIU-UHFFFAOYSA-N
Molecular Formula C11H14ClN3O4S3
Exact Mass 382.983 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-WA001753
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:91768 chebi
    CHEMBL599870 chembl
    124525 surechembl
    29388917 surechembl
    2122 pubchem
    GI8CB72B0D fdasrs
    PD001578 probes_and_drugs
    HMDB0248261 hmdb
    Molport-003-666-331 molport
    140 drugcentral
    The data in this table is sourced from UniChem at EBI.