Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF418503 contains the MS2 mass spectrum of p-Toluenesulfonamide with the InChIkey LMYRWZFENFIFIT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
SMILES CC1=CC=C(C=C1)S(N)(=O)=O
InChI Key LMYRWZFENFIFIT-UHFFFAOYSA-N
Molecular Formula C7H9NO2S
Exact Mass 171.035 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-UF418503
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 4-methylbenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB17299 drugbank
    CHEBI:34435 chebi
    4J8 rcsb_pdb
    CHEMBL574 chembl
    25934155 surechembl
    7370 surechembl
    56635390 pubchem
    6269 pubchem
    I8266RI90M fdasrs
    PD062346 probes_and_drugs
    KUSVEZ CCDC
    118460 brenda
    226997 brenda
    3748 brenda
    75656 brenda
    96979 brenda
    4J8 pdbe
    HMDB0246504 hmdb
    Molport-000-486-747 molport
    10859 bindingdb
    The data in this table is sourced from UniChem at EBI.