Dataset

Benzenesulfonic acid; LC-ESI-QTOF; MS2; CE: Ramp 18.3-27.4 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU238862 contains the MS2 mass spectrum of Benzenesulfonic acid with the InChIkey SRSXLGNVWSONIS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
SMILES OS(=O)(=O)C1=CC=CC=C1
InChI Key SRSXLGNVWSONIS-UHFFFAOYSA-N
Molecular Formula C6H6O3S
Exact Mass 158.004 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-AU238862
Version
Author
Maintainer
Language
MetadataPublished 2019-03-29
Related Molecule
  • benzenesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:64455 chebi
    BNS rcsb_pdb
    CHEMBL1422641 chembl
    125188 surechembl
    17942459 surechembl
    2509 surechembl
    5665211 surechembl
    122424353 pubchem
    7371 pubchem
    685928Z18A fdasrs
    PD013812 probes_and_drugs
    ASEFIQ CCDC
    92535 brenda
    HMDB0248986 hmdb
    Molport-001-783-158 molport
    The data in this table is sourced from UniChem at EBI.