Dataset

Methylchloroisothiazolinone; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA037405070APH contains the MS2 mass spectrum of Methylchloroisothiazolinone with the InChIkey DHNRXBZYEKSXIM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
SMILES CN1SC(Cl)=CC1=O
InChI Key DHNRXBZYEKSXIM-UHFFFAOYSA-N
Molecular Formula C4H4ClNOS
Exact Mass 148.970 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA037405070APH
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MetadataPublished 2023-08-12
Related Molecule
  • 5-chloro-2-methyl-1,2-thiazol-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.