Dataset

Prochloraz BTS44596; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU264305 contains the MS2 mass spectrum of Prochloraz BTS44596 with the InChIkey RHDVQZWCBQXOJW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)
SMILES CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)NC=O
InChI Key RHDVQZWCBQXOJW-UHFFFAOYSA-N
Molecular Formula C13H15Cl3N2O3
Exact Mass 352.015 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-Athens_Univ-AU264305
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • N-[propyl-[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl]formamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID50891607 EPA CompTox Dashboard
    J438.403B Nikkaji
    ZINC000088261738 ZINC
    57472173 PubChem
    The data in this table is sourced from UniChem at EBI.