Dataset

Sulfallate; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01140008 contains the MS2 mass spectrum of Sulfallate with the InChIkey XJCLWVXTCRQIDI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
SMILES CCN(CC)C(=S)SCC(=C)Cl
InChI Key XJCLWVXTCRQIDI-UHFFFAOYSA-N
Molecular Formula C8H14ClNS2
Exact Mass 223.026 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-Eawag-EQ01140008
Version
Author
Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-chloroprop-2-enyl N,N-diethylcarbamodithioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82218 chebi
    CHEMBL538146 chembl
    136254 surechembl
    7216 pubchem
    7U7BI7173J fdasrs
    The data in this table is sourced from UniChem at EBI.