Dataset

N4-Acetylsulfamethazine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU201203 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 Cc1cc(nc(n1)NS(=O)(=O)c2ccc(cc2)/N=C(\C)/O)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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU201203
Version
Author
Maintainer
Language
MetadataPublished 2015-12-03
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
    1053428 eMolecules
    ZINC000000052440 ZINC
    83457 ChEBI
    J285.125C Nikkaji
    CB91216324 ChemicalBook
    HMDB0244280 Human Metabolome Database
    DTXSID50142848 EPA CompTox Dashboard
    145391 Brenda
    57476 Brenda
    MTBLC83457 Metabolights
    145620 Brenda
    94178 Brenda
    211761 Brenda
    MCULE-2915137169 Mcule
    66855 PubChem
    100-90-3 ACToR
    The data in this table is sourced from UniChem at EBI.