Dataset

Sulfanilic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO001850 contains the MS2 mass spectrum of Sulfanilic acid with the InChIkey HVBSAKJJOYLTQU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
SMILES Nc(c1)ccc(c1)S(O)(=O)=O
InChI Key HVBSAKJJOYLTQU-UHFFFAOYSA-N
Molecular Formula C6H7NO3S
Exact Mass 173.015 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001850
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-aminobenzenesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27500 chebi
    CHEMBL1566888 chembl
    24407 surechembl
    5232424 pubchem
    8479 pubchem
    434Z8C2635 fdasrs
    PD073823 probes_and_drugs
    AFAZEM CCDC
    10787 brenda
    108372 brenda
    190381 brenda
    208535 brenda
    225215 brenda
    49818 brenda
    91622 brenda
    HMDB0258581 hmdb
    DTXSID6024464 comptox
    Molport-001-783-839 molport
    50443531 bindingdb
    The data in this table is sourced from UniChem at EBI.