Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF406003 contains the MS2 mass spectrum of Boscalid with the InChIkey WYEMLYFITZORAB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
SMILES ClC1=CC=C(C=C1)C1=CC=CC=C1NC(=O)C1=CC=CN=C1Cl
InChI Key WYEMLYFITZORAB-UHFFFAOYSA-N
Molecular Formula C18H12Cl2N2O
Exact Mass 342.033 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-UF406003
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12792 drugbank
    CHEBI:81822 chebi
    CHEMBL1076544 chembl
    18517 surechembl
    29368300 surechembl
    29488452 surechembl
    213013 pubchem
    32MS8ZRD1V fdasrs
    PD058464 probes_and_drugs
    NOZKOF CCDC
    26582 brenda
    HMDB0249353 hmdb
    Molport-035-691-152 molport
    The data in this table is sourced from UniChem at EBI.