Dataset

Prochloraz; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA009603 contains the MS2 mass spectrum of Prochloraz with the InChIkey TVLSRXXIMLFWEO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
SMILES Cl-c(cc(Cl)c1OCCN(C(=O)N(C=N2)C=C2)CCC)cc1Cl
InChI Key TVLSRXXIMLFWEO-UHFFFAOYSA-N
Molecular Formula C15H16Cl3N3O2
Exact Mass 375.030 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-EA009603
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MetadataPublished 2014-01-14
Related Molecule
  • N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8434 chebi
    5LU rcsb_pdb
    CHEMBL522782 chembl
    22242 surechembl
    73665 pubchem
    99SFL01YCL fdasrs
    PD078215 probes_and_drugs
    183005 brenda
    8181 brenda
    5LU - Ideal conformer pdbe
    HMDB0062513 hmdb
    Molport-003-933-469 molport
    50612691 bindingdb
    The data in this table is sourced from UniChem at EBI.