Dataset

Saccharin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-

This MassBank record with Accession MSBNK-CASMI_2016-SM867051 contains the MS2 mass spectrum of Saccharin with the InChIkey CVHZOJJKTDOEJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
SMILES O=C1NS(=O)(=O)c2ccccc12
InChI Key CVHZOJJKTDOEJC-UHFFFAOYSA-N
Molecular Formula C7H5NO3S
Exact Mass 182.999 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-CASMI_2016-SM867051
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MetadataPublished 2016-12-12
Related Molecule
  • 1,1-dioxo-1,2-benzothiazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.