Dataset

Asulam-TP Sulfanilamide; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ419505 contains the MS2 mass spectrum of Asulam-TP Sulfanilamide with the InChIkey FDDDEECHVMSUSB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
SMILES C1=C(C=CC(=C1)S(=O)(=O)N)N
InChI Key FDDDEECHVMSUSB-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
Exact Mass 172.031 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ419505
Version
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Maintainer
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MetadataPublished 2019-12-03
Related Molecule
  • 4-aminobenzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00259 drugbank
    SAN rcsb_pdb
    CHEMBL21 chembl
    740 surechembl
    129828936 pubchem
    5333 pubchem
    21240MF57M fdasrs
    12631 gtopdb
    PD001658 probes_and_drugs
    SULAMD CCDC
    108364 brenda
    1096 brenda
    14624 brenda
    184618 brenda
    184619 brenda
    226958 brenda
    25096 brenda
    2606 brenda
    42531 brenda
    75654 brenda
    SAN - Ideal conformer pdbe
    CHEBI:45373 chebi
    HMDB0014404 hmdb
    Molport-000-871-476 molport
    2521 drugcentral
    10857 bindingdb
    The data in this table is sourced from UniChem at EBI.