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
    CHEMBL599870 ChEMBL
    ALTHIAZIDE rxnorm
    HMDB0248261 Human Metabolome Database
    JI3ZO158IN FDA SRS
    GI8CB72B0D FDA SRS
    D9KLS88BLV FDA SRS
    140 DrugCentral
    91768 ChEBI
    J8.012H Nikkaji
    DTXSID3045857 EPA CompTox Dashboard
    2122 PubChem
    PD001578 ProbesDrugs
    15028888 PubChem: Thomson Pharma
    5588-16-9 ACToR
    LSM-1654 LINCS
    33507150 eMolecules
    SCHEMBL124525 SureChEMBL
    The data in this table is sourced from UniChem at EBI.