Dataset

Acesulfame; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA275655 contains the MS2 mass spectrum of Acesulfame with the InChIkey YGCFIWIQZPHFLU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
SMILES S1(NC(C=C(O1)C)=O)(=O)=O
InChI Key YGCFIWIQZPHFLU-UHFFFAOYSA-N
Molecular Formula C4H5NO4S
Exact Mass 162.994 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-EA275655
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MetadataPublished 2014-01-14
Related Molecule
  • 6-methyl-2,2-dioxooxathiazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15171059 PubChem: Thomson Pharma
    36573 PubChem
    PD014055 ProbesDrugs
    MA3UYZ6K1H FDA SRS
    SCHEMBL3551 SureChEMBL
    33665-90-6 ACToR
    DB16868 DrugBank
    AUD PDBe
    HMDB0033585 Human Metabolome Database
    CHEMBL176687 ChEMBL
    ACESULFAME clinicaltrials
    ZINC000002009976 ZINC
    J2.157.851G Nikkaji
    E 950 clinicaltrials
    83501 ChEBI
    WURMOM CCDC
    ACESULFAME rxnorm
    ACESULFAME POTASSIUM rxnorm
    50367132 BindingDB
    DTXSID0048006 EPA CompTox Dashboard
    E-950 clinicaltrials
    ACESULFAME POTASSIUM clinicaltrials
    J19.735A Nikkaji
    The data in this table is sourced from UniChem at EBI.