Dataset

Pyraclostrobin; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA277904 contains the MS2 mass spectrum of Pyraclostrobin with the InChIkey HZRSNVGNWUDEFX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
SMILES c1(ccc(n2ccc(OCc3c(cccc3)N(OC)C(OC)=O)n2)cc1)Cl
InChI Key HZRSNVGNWUDEFX-UHFFFAOYSA-N
Molecular Formula C19H18ClN3O4
Exact Mass 387.099 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-EA277904
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MetadataPublished 2014-01-14
Related Molecule
  • methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:78780 chebi
    A1D6K rcsb_pdb
    CHEMBL519873 chembl
    18441 surechembl
    29488455 surechembl
    6422843 pubchem
    DJW8M9OX1H fdasrs
    PD158116 probes_and_drugs
    BACXIQ CCDC
    252964 brenda
    HMDB0256940 hmdb
    Molport-023-332-368 molport
    50487137 bindingdb
    The data in this table is sourced from UniChem at EBI.