Dataset

Furosemide; LC-ESI-Q; MS; NEG; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002570 contains the MS mass spectrum of Furosemide with the InChIkey ZZUFCTLCJUWOSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
SMILES OC(=O)c(c1)c(NCc(c2)occ2)cc(Cl)c1S(N)(=O)=O
InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O5S
Exact Mass 330.008 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-WA002570
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00695 drugbank
    CHEBI:47426 chebi
    FUN rcsb_pdb
    CHEMBL35 chembl
    29406913 surechembl
    9811 surechembl
    118985385 pubchem
    3440 pubchem
    7LXU5N7ZO5 fdasrs
    4839 gtopdb
    PD002324 probes_and_drugs
    FURSEM CCDC
    11952 brenda
    125886 brenda
    127067 brenda
    1557 brenda
    165948 brenda
    27985 brenda
    HMDB0001933 hmdb
    Molport-001-641-065 molport
    1258 drugcentral
    25902 bindingdb
    The data in this table is sourced from UniChem at EBI.