Dataset

p-Toluenesulfonamide; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF418502 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-UF418502
Version
Author
Maintainer
Language
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
    HMDB0246504 hmdb
    18413 bindingdb
    18460 bindingdb
    18507 bindingdb
    18827 bindingdb
    18861 bindingdb
    18895 bindingdb
    413286 bindingdb
    413295 bindingdb
    413304 bindingdb
    413586 bindingdb
    413601 bindingdb
    413616 bindingdb
    49537 bindingdb
    49561 bindingdb
    50098088 bindingdb
    50098166 bindingdb
    50285548 bindingdb
    50285584 bindingdb
    50290916 bindingdb
    50290947 bindingdb
    50293067 bindingdb
    50293090 bindingdb
    50302598 bindingdb
    50302625 bindingdb
    50307226 bindingdb
    50307468 bindingdb
    50307547 bindingdb
    50392190 bindingdb
    50433068 bindingdb
    50433072 bindingdb
    50443711 bindingdb
    50443774 bindingdb
    50444338 bindingdb
    50444444 bindingdb
    50463975 bindingdb
    50464083 bindingdb
    50467896 bindingdb
    50475246 bindingdb
    50475366 bindingdb
    50489006 bindingdb
    50489208 bindingdb
    50501709 bindingdb
    50501716 bindingdb
    50615106 bindingdb
    50615141 bindingdb
    50615233 bindingdb
    50615270 bindingdb
    50615313 bindingdb
    50622671 bindingdb
    50622715 bindingdb
    50654546 bindingdb
    50654588 bindingdb
    50704807 bindingdb
    50704811 bindingdb
    50716443 bindingdb
    50716484 bindingdb
    50716494 bindingdb
    50765069 bindingdb
    50765127 bindingdb
    50765156 bindingdb
    50765178 bindingdb
    50793344 bindingdb
    50793366 bindingdb
    50825254 bindingdb
    50825255 bindingdb
    50825283 bindingdb
    50825374 bindingdb
    50825420 bindingdb
    50825430 bindingdb
    50837405 bindingdb
    50837423 bindingdb
    50837462 bindingdb
    50842402 bindingdb
    50842410 bindingdb
    50842488 bindingdb
    50842498 bindingdb
    50849246 bindingdb
    50878571 bindingdb
    50878608 bindingdb
    50878645 bindingdb
    50902766 bindingdb
    50902767 bindingdb
    50902768 bindingdb
    50903564 bindingdb
    50903600 bindingdb
    50942687 bindingdb
    51037594 bindingdb
    51037614 bindingdb
    51046884 bindingdb
    51046924 bindingdb
    51049963 bindingdb
    51086974 bindingdb
    51317360 bindingdb
    51317399 bindingdb
    51317437 bindingdb
    51317445 bindingdb
    53331 bindingdb
    53368 bindingdb
    60868 bindingdb
    60912 bindingdb
    Molport-000-486-747 molport
    The data in this table is sourced from UniChem at EBI.