Dataset

N4-Acetylsulfamethazine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA024752 contains the MS2 mass spectrum of N4-Acetylsulfamethazine with the InChIkey LJKAKWDUZRJNPJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
SMILES O=S(=O)(c1ccc(cc1)NC(=O)C)Nc1nc(cc(n1)C)C
InChI Key LJKAKWDUZRJNPJ-UHFFFAOYSA-N
Molecular Formula C14H16N4O3S
Exact Mass 320.094 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-EA024752
Version
Author
Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83457 chebi
    29776905 surechembl
    66855 pubchem
    145391 brenda
    145620 brenda
    211761 brenda
    57476 brenda
    94178 brenda
    HMDB0244280 hmdb
    Molport-001-028-199 molport
    The data in this table is sourced from UniChem at EBI.