Dataset

2-Benzothiazolesulfonic acid; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU287303 contains the MS2 mass spectrum of 2-Benzothiazolesulfonic acid with the InChIkey ZCXGMSGCBDSEOY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)
SMILES OS(=O)(=O)C1=NC2=CC=CC=C2S1
InChI Key ZCXGMSGCBDSEOY-UHFFFAOYSA-N
Molecular Formula C7H5NO3S2
Exact Mass 214.971 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-AU287303
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Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • 1,3-benzothiazole-2-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    858084 eMolecules
    941-57-1 ACToR
    SCHEMBL329578 SureChEMBL
    CHEMBL4787785 ChEMBL
    190965 ChEBI
    30647 PubChem
    168477882 PubChem
    ZINC000001845473 ZINC
    DTXSID80240528 EPA CompTox Dashboard
    J323.207G Nikkaji
    CB41283899 ChemicalBook
    The data in this table is sourced from UniChem at EBI.