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
    12014152 PubChem: Drugs of the Future
    FUN PDBe
    SAM002264614 NIH Clinical Collection
    DB00695 DrugBank
    C07017 KEGG Ligand
    CHEMBL35 ChEMBL
    DISAL rxnorm
    LB-502 clinicaltrials
    LASIX clinicaltrials
    FUROSEMIDE clinicaltrials
    HY-B0135 MedChemExpress
    118985385 PubChem
    DTXSID6020648 EPA CompTox Dashboard
    1258 DrugCentral
    ZINC000000035804 ZINC
    4839 Guide to Pharmacology
    FUROSEMIDE rxnorm
    FUROSEMIDE DailyMed
    LASIX rxnorm
    25902 BindingDB
    FURSEM CCDC
    J1.913E Nikkaji
    3440 PubChem
    PD002324 ProbesDrugs
    furosemide Atlas
    7LXU5N7ZO5 FDA SRS
    14875224 PubChem: Thomson Pharma
    54-31-9 ACToR
    PA449719 PharmGKB
    Furosemide(Lasix) Selleck
    LSM-5847 LINCS
    538364 eMolecules
    SCHEMBL9811 SureChEMBL
    MCULE-8037874224 Mcule
    47426 ChEBI
    125886 Brenda
    27985 Brenda
    HMDB0001933 Human Metabolome Database
    CB2445739 ChemicalBook
    furosemide DailyMed
    165948 Brenda
    1557 Brenda
    127067 Brenda
    11952 Brenda
    The data in this table is sourced from UniChem at EBI.