Dataset

2,4-Diaminobenzenesulfonic acid; LC-ESI-QTOF; MS2; CE: Ramp 17.6-26.4 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU278806 contains the MS2 mass spectrum of 2,4-Diaminobenzenesulfonic acid with the InChIkey JVMSQRAXNZPDHF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)
SMILES NC1=CC(N)=C(C=C1)S(O)(=O)=O
InChI Key JVMSQRAXNZPDHF-UHFFFAOYSA-N
Molecular Formula C6H8N2O3S
Exact Mass 188.026 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-AU278806
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Author
Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • 2,4-diaminobenzenesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3184102 chembl
    343300 surechembl
    3493709 surechembl
    66623 pubchem
    863X637R5Q fdasrs
    ULEQIL CCDC
    Molport-001-768-557 molport
    The data in this table is sourced from UniChem at EBI.