Dataset

Bumetanide; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001775 contains the MS mass spectrum of Bumetanide with the InChIkey MAEIEVLCKWDQJH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
SMILES CCCCNc(c1)c(Oc(c2)cccc2)c(cc(C(O)=O)1)S(N)(=O)=O
InChI Key MAEIEVLCKWDQJH-UHFFFAOYSA-N
Molecular Formula C17H20N2O5S
Exact Mass 364.109 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-WA001775
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2471 PubChem
    82U PDBe
    PD001439 ProbesDrugs
    0Y2S3XUQ5H FDA SRS
    14852701 PubChem: Thomson Pharma
    28395-03-1 ACToR
    PA448682 PharmGKB
    Bumetanide Selleck
    LSM-2848 LINCS
    535080 eMolecules
    MCULE-6802013568 Mcule
    SCHEMBL27525 SureChEMBL
    ZINC000003813061 ZINC
    bumetanide DailyMed
    HMDB0015024 Human Metabolome Database
    151916 Brenda
    SAM002564195 NIH Clinical Collection
    3213 ChEBI
    CHEMBL1072 ChEMBL
    BUMETANIDE DailyMed
    BUMEX rxnorm
    BUMETANIDE rxnorm
    BUMEX clinicaltrials
    S-95008. clinicaltrials
    BUMETANIDE clinicaltrials
    25903 BindingDB
    HY-17468 MedChemExpress
    DTXSID5022699 EPA CompTox Dashboard
    427 DrugCentral
    4837 Guide to Pharmacology
    J3.168B Nikkaji
    FEDGON CCDC
    S95008. clinicaltrials
    DB00887 DrugBank
    CB9382992 ChemicalBook
    The data in this table is sourced from UniChem at EBI.