Dataset

Chloroxuron; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF404603 contains the MS2 mass spectrum of Chloroxuron with the InChIkey IVUXTESCPZUGJC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
SMILES CN(C)C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1
InChI Key IVUXTESCPZUGJC-UHFFFAOYSA-N
Molecular Formula C15H15ClN2O2
Exact Mass 290.082 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-UFZ-UF404603
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MetadataPublished 2017-01-05
Related Molecule
  • 3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    509652 eMolecules
    QER23C88ME FDA SRS
    16012017 PubChem: Thomson Pharma
    SCHEMBL132843 SureChEMBL
    1982-47-4 ACToR
    16115 PubChem
    MCULE-8661514545 Mcule
    DTXSID7040287 EPA CompTox Dashboard
    HMDB0250129 Human Metabolome Database
    J3.694C Nikkaji
    82200 ChEBI
    ZINC000002039034 ZINC
    CB7113279 ChemicalBook
    CHEMBL1568699 ChEMBL
    The data in this table is sourced from UniChem at EBI.