Dataset

Furosemide; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF407803 contains the MS2 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 NS(=O)(=O)C1=CC(C(O)=O)=C(NCC2=CC=CO2)C=C1Cl
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF407803
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
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
    159299 bindingdb
    406694 bindingdb
    406769 bindingdb
    413576 bindingdb
    413579 bindingdb
    413582 bindingdb
    413585 bindingdb
    46820 bindingdb
    46828 bindingdb
    46840 bindingdb
    46847 bindingdb
    46854 bindingdb
    46861 bindingdb
    46873 bindingdb
    46880 bindingdb
    46887 bindingdb
    46894 bindingdb
    46903 bindingdb
    46911 bindingdb
    50057196 bindingdb
    50330679 bindingdb
    50375345 bindingdb
    50375438 bindingdb
    50376983 bindingdb
    50425090 bindingdb
    50425091 bindingdb
    50524509 bindingdb
    50524567 bindingdb
    50658431 bindingdb
    50739112 bindingdb
    50739648 bindingdb
    50753635 bindingdb
    50772581 bindingdb
    50773266 bindingdb
    50773531 bindingdb
    50773955 bindingdb
    50952594 bindingdb
    51026281 bindingdb
    51026888 bindingdb
    51040676 bindingdb
    51075860 bindingdb
    51075890 bindingdb
    51075948 bindingdb
    51160329 bindingdb
    51476060 bindingdb
    51510006 bindingdb
    51528170 bindingdb
    51528177 bindingdb
    612205 bindingdb
    Molport-001-641-065 molport
    1258 drugcentral
    The data in this table is sourced from UniChem at EBI.