Dataset

Vinclozolin; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ311904 contains the MS2 mass spectrum of Vinclozolin with the InChIkey FSCWZHGZWWDELK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
SMILES O=C2OC(C(=O)N2c1cc(Cl)cc(Cl)c1)(\C=C)C
InChI Key FSCWZHGZWWDELK-UHFFFAOYSA-N
Molecular Formula C12H9Cl2NO3
Exact Mass 284.996 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-EQ311904
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MetadataPublished 2015-08-25
Related Molecule
  • 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83732 chebi
    CHEMBL513221 chembl
    21851 surechembl
    39676 pubchem
    JJ258EZN1I fdasrs
    PD015620 probes_and_drugs
    190080 brenda
    HMDB0259811 hmdb
    The data in this table is sourced from UniChem at EBI.