Dataset

Sulfamethizole; LC-ESI-QTOF; MS2; CE: Ramp 20.6-30.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU101702 contains the MS2 mass spectrum of Sulfamethizole with the InChIkey VACCAVUAMIDAGB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
SMILES Cc1nnc(s1)NS(=O)(=O)c2ccc(cc2)N
InChI Key VACCAVUAMIDAGB-UHFFFAOYSA-N
Molecular Formula C9H10N4O2S2
Exact Mass 270.024 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-Athens_Univ-AU101702
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MetadataPublished 2015-07-05
Related Molecule
  • 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL26453 SureChEMBL
    sulfamethizole DailyMed
    HMDB0014715 Human Metabolome Database
    38417 Brenda
    PA164781307 PharmGKB
    511883 eMolecules
    5328 PubChem
    60027755 NMRShiftDB
    PD001747 ProbesDrugs
    25W8454H16 FDA SRS
    14750528 PubChem: Thomson Pharma
    144-82-1 ACToR
    Sulfamethizole(Proklar) Selleck
    LSM-5455 LINCS
    DB00576 DrugBank
    CHEMBL1191 ChEMBL
    9331 ChEBI
    C08050 KEGG Ligand
    CB72646481 ChemicalBook
    SULFAMETHIZOLE DailyMed
    SULFAMETHIZOLE rxnorm
    SULFAMETHIZOLE clinicaltrials
    THIOSULFIL clinicaltrials
    HY-B0333 MedChemExpress
    50295558 BindingDB
    MCULE-8287230974 Mcule
    DTXSID5023615 EPA CompTox Dashboard
    2512 DrugCentral
    ZINC000000057493 ZINC
    J4.419I Nikkaji
    AMUTOT CCDC
    CB4266501 ChemicalBook
    The data in this table is sourced from UniChem at EBI.