Dataset

Metazachlor; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA026909 contains the MS2 mass spectrum of Metazachlor with the InChIkey STEPQTYSZVCJPV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
SMILES N(c1c(cccc1C)C)(Cn1cccn1)C(CCl)=O
InChI Key STEPQTYSZVCJPV-UHFFFAOYSA-N
Molecular Formula C14H16ClN3O
Exact Mass 277.098 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-EA026909
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MetadataPublished 2014-01-14
Related Molecule
  • 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6798 chebi
    CHEMBL2272118 chembl
    55016 surechembl
    49384 pubchem
    TPY2K437O4 fdasrs
    PD206457 probes_and_drugs
    AZADAG CCDC
    28724 brenda
    HMDB0254508 hmdb
    328051 bindingdb
    328847 bindingdb
    Molport-003-987-120 molport
    The data in this table is sourced from UniChem at EBI.