Dataset

Sulfasalazine; LC-ESI-QTOF; MS2; 30 V

This MassBank record with Accession MSBNK-BAFG-CSL23111012666 contains the MS2 mass spectrum of Sulfasalazine with the InChIkey OQANPHBRHBJGNZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,20H,(H,19,22)(H,24,25)
SMILES C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C=CC(=O)C(=C3)C(=O)O
InChI Key OQANPHBRHBJGNZ-UHFFFAOYSA-N
Molecular Formula C18H14N4O5S
Exact Mass 398.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111012666
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MetadataPublished 2023-11-10
Related Molecule
  • 6-oxo-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]hydrazinylidene]cyclohexa-1,4-diene-1-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    94500 ChEBI
    SCHEMBL1079598 SureChEMBL
    PD055524 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.