Dataset

Hydrochlorothiazide; LC-ESI-Q; MS; NEG; 60 V

This MassBank record with Accession MSBNK-Waters-WA000337 contains the MS mass spectrum of Hydrochlorothiazide with the InChIkey JZUFKLXOESDKRF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
SMILES Clc(c2)c(cc(c12)S(=O)(=O)NCN1)S(N)(=O)=O
InChI Key JZUFKLXOESDKRF-UHFFFAOYSA-N
Molecular Formula C7H8ClN3O4S2
Exact Mass 296.964 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-WA000337
Version
Author
Maintainer
Language
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
    DB00999 drugbank
    CHEBI:5778 chebi
    HCZ rcsb_pdb
    CHEMBL435 chembl
    29366243 surechembl
    9349 surechembl
    3639 pubchem
    0J48LPH2TH fdasrs
    4836 gtopdb
    PD002304 probes_and_drugs
    BANPAK CCDC
    153401 brenda
    154385 brenda
    197373 brenda
    3163 brenda
    HCZ pdbe
    HMDB0001928 hmdb
    DTXSID2020713 comptox
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    Molport-000-144-465 molport
    1385 drugcentral
    13076 bindingdb
    The data in this table is sourced from UniChem at EBI.