Dataset

2-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ360505 contains the MS2 mass spectrum of 2-Toluenesulfonamide with the InChIkey YCMLQMDWSXFTIF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
SMILES CC1=CC=CC=C1S(=O)(=O)N
InChI Key YCMLQMDWSXFTIF-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-Eawag-EQ360505
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MetadataPublished 2015-08-25
Related Molecule
  • 2-methylbenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20097648 NMRShiftDB
    6924 PubChem
    MCULE-8856156817 Mcule
    SCHEMBL7369 SureChEMBL
    CB2854539 ChemicalBook
    ZINC000002567980 ZINC
    492297 eMolecules
    R81Z6V889P FDA SRS
    8013-74-9 ACToR
    14867514 PubChem: Thomson Pharma
    88-19-7 ACToR
    CB7932654 ChemicalBook
    PD055397 ProbesDrugs
    CHEMBL176892 ChEMBL
    O-TOLUENESULFONAMIDE rxnorm
    90750087 PubChem
    DTXSID7021362 EPA CompTox Dashboard
    ZZZULS CCDC
    J3.544K Nikkaji
    IEJ PDBe
    35999 BindingDB
    The data in this table is sourced from UniChem at EBI.