Dataset

Vinclozolin; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00311905 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 CC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00311905
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL513221 ChEMBL
    C10981 KEGG Ligand
    JJ258EZN1I FDA SRS
    J1.897J Nikkaji
    190080 Brenda
    83732 ChEBI
    HMDB0259811 Human Metabolome Database
    DTXSID4022361 EPA CompTox Dashboard
    CB8108814 ChemicalBook
    39676 PubChem
    MCULE-2071869001 Mcule
    SCHEMBL21851 SureChEMBL
    PD015620 ProbesDrugs
    14893538 PubChem: Thomson Pharma
    50471-44-8 ACToR
    510313 eMolecules
    The data in this table is sourced from UniChem at EBI.