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
  • 6-chloro-1,1-dioxo-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
    197373 Brenda
    3163 Brenda
    153401 Brenda
    HMDB0001928 Human Metabolome Database
    CB5383966 ChemicalBook
    hydrochlorothiazide DailyMed
    ZINC000000896569 ZINC
    154385 Brenda
    MCULE-6585933943 Mcule
    SCHEMBL9349 SureChEMBL
    125727-50-6 ACToR
    0J48LPH2TH FDA SRS
    LSM-5308 LINCS
    PD002304 ProbesDrugs
    14873640 PubChem: Thomson Pharma
    PA449899 PharmGKB
    58-93-5 ACToR
    3639 PubChem
    Hydrochlorothiazide Selleck
    539058 eMolecules
    HCZ PDBe
    C07041 KEGG Ligand
    DB00999 DrugBank
    CHEMBL435 ChEMBL
    SAM002554901 NIH Clinical Collection
    LOTENSIN HCT rxnorm
    1385 DrugCentral
    DTXSID2020713 EPA CompTox Dashboard
    HY-B0252 MedChemExpress
    ORETIC clinicaltrials
    ESIDREX clinicaltrials
    HYDROCHLOROTHIAZIDE clinicaltrials
    HYDRO-D clinicaltrials
    HYDRODIURIL clinicaltrials
    MICROZIDE clinicaltrials
    ESIDRIX clinicaltrials
    HYDROCHLOROTHIAZIDE rxnorm
    MICROZIDE rxnorm
    13076 BindingDB
    HYDROCHLOROTHIAZIDE DailyMed
    BANPAK CCDC
    5778 ChEBI
    J1.920H Nikkaji
    4836 Guide to Pharmacology
    CB31564779 ChemicalBook
    The data in this table is sourced from UniChem at EBI.