Dataset

Sulfamethoxazole; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU101805 contains the MS2 mass spectrum of Sulfamethoxazole with the InChIkey JLKIGFTWXXRPMT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
SMILES CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
Exact Mass 253.052 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-AU101805
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Maintainer
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MetadataPublished 2015-12-07
Related Molecule
  • 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50029770 BindingDB
    SLFNMB CCDC
    J4.525J Nikkaji
    ZINC000000089763 ZINC
    2514 DrugCentral
    DTXSID8026064 EPA CompTox Dashboard
    2097 Brenda
    HY-B0322 MedChemExpress
    SULFAMETHOXAZOLE rxnorm
    SULFAMETHOXAZOLE clinicaltrials
    GANTANOL clinicaltrials
    SULFAMETHOXAZOLE DailyMed
    10933 Guide to Pharmacology
    CHEMBL443 ChEMBL
    C07315 KEGG Ligand
    SAM002554930 NIH Clinical Collection
    DB01015 DrugBank
    9332 ChEBI
    PD001746 ProbesDrugs
    08D PDBe
    JE42381TNV FDA SRS
    LSM-5422 LINCS
    5329 PubChem
    129378-89-8 ACToR
    Sulfamethoxazole Selleck
    14798729 PubChem: Thomson Pharma
    SCHEMBL3656 SureChEMBL
    511895 eMolecules
    50294 Brenda
    HMDB0015150 Human Metabolome Database
    PA451544 PharmGKB
    CB6473303 ChemicalBook
    sulfamethoxazole DailyMed
    MCULE-1450176600 Mcule
    20208059 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.