Dataset

N-Butylbenzenesulfonamide; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU229902 contains the MS2 mass spectrum of N-Butylbenzenesulfonamide with the InChIkey IPRJXAGUEGOFGG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
SMILES CCCCNS(=O)(=O)C1=CC=CC=C1
InChI Key IPRJXAGUEGOFGG-UHFFFAOYSA-N
Molecular Formula C10H15NO2S
Exact Mass 213.082 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-Athens_Univ-AU229902
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MetadataPublished 2019-04-05
Related Molecule
  • N-butylbenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB0339807 ChemicalBook
    MTBLC44237 Metabolights
    20143229 NMRShiftDB
    YO7UAW6717 FDA SRS
    MCULE-9258708920 Mcule
    PD008187 ProbesDrugs
    SCHEMBL51729 SureChEMBL
    3622-84-2 ACToR
    16688961 PubChem: Thomson Pharma
    44237 ChEBI
    19241 PubChem
    535474 eMolecules
    DB02055 DrugBank
    NBB PDBe
    CHEMBL479880 ChEMBL
    ZINC000001666831 ZINC
    DTXSID7027540 EPA CompTox Dashboard
    J62.171D Nikkaji
    The data in this table is sourced from UniChem at EBI.