Dataset

Sulfanilic acid; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA065210 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 S(c1ccc(N)cc1)(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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA065210
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MetadataPublished 2014-01-14
Related Molecule
  • 4-aminobenzenesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    27500 ChEBI
    C06335 KEGG Ligand
    CHEMBL1566888 ChEMBL
    AFAZEM CCDC
    HMDB0258581 Human Metabolome Database
    J2.924F Nikkaji
    225215 Brenda
    10787 Brenda
    DTXSID6024464 EPA CompTox Dashboard
    ZINC000001530397 ZINC
    50443531 BindingDB
    MCULE-9573132621 Mcule
    20096913 NMRShiftDB
    5232424 PubChem
    CB1489237 ChemicalBook
    208535 Brenda
    MTBLC27500 Metabolights
    91622 Brenda
    49818 Brenda
    108372 Brenda
    PD073823 ProbesDrugs
    434Z8C2635 FDA SRS
    8479 PubChem
    SCHEMBL24407 SureChEMBL
    14769580 PubChem: Thomson Pharma
    121-57-3 ACToR
    478819 eMolecules
    The data in this table is sourced from UniChem at EBI.