Dataset

Acetyl-sulfamethoxazole; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF411753 contains the MS2 mass spectrum of Acetyl-sulfamethoxazole with the InChIkey GXPIUNZCALHVBA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NOC(C)=C1
InChI Key GXPIUNZCALHVBA-UHFFFAOYSA-N
Molecular Formula C12H13N3O4S
Exact Mass 295.063 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-UFZ-UF411753
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MetadataPublished 2017-01-05
Related Molecule
  • N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:31169 chebi
    CHEMBL3560298 chembl
    1502536 surechembl
    65280 pubchem
    3I1988834Q fdasrs
    PD014328 probes_and_drugs
    AMUTIN CCDC
    128814 brenda
    143157 brenda
    145764 brenda
    188884 brenda
    HMDB0013854 hmdb
    Molport-000-800-903 molport
    The data in this table is sourced from UniChem at EBI.