Dataset

Prochloraz BTS40348; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU264701 contains the MS2 mass spectrum of Prochloraz BTS40348 with the InChIkey CLFQSOIBYICELN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14Cl3NO/c1-2-3-15-4-5-16-11-9(13)6-8(12)7-10(11)14/h6-7,15H,2-5H2,1H3
SMILES CCCNCCOC1=C(Cl)C=C(Cl)C=C1Cl
InChI Key CLFQSOIBYICELN-UHFFFAOYSA-N
Molecular Formula C11H14Cl3NO
Exact Mass 281.014 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-AU264701
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MetadataPublished 2019-05-30
Related Molecule
  • N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J333.335C Nikkaji
    HMDB0247192 Human Metabolome Database
    CB7935983 ChemicalBook
    DTXSID90891606 EPA CompTox Dashboard
    ZINC000006264896 ZINC
    SCHEMBL9324537 SureChEMBL
    15914591 PubChem: Thomson Pharma
    3842173 PubChem
    MCULE-7987796793 Mcule
    The data in this table is sourced from UniChem at EBI.