Dataset

Metolachlor; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF404004 contains the MS2 mass spectrum of Metolachlor with the InChIkey WVQBLGZPHOPPFO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
SMILES CCC1=CC=CC(C)=C1N(C(C)COC)C(=O)CCl
InChI Key WVQBLGZPHOPPFO-UHFFFAOYSA-N
Molecular Formula C15H22ClNO2
Exact Mass 283.134 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-UFZ-UF404004
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MetadataPublished 2017-01-05
Related Molecule
  • 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83645 chebi
    CHEMBL1884974 chembl
    21385 surechembl
    29357706 surechembl
    4169 pubchem
    X0I01K05X2 fdasrs
    PD102191 probes_and_drugs
    118986 brenda
    16942 brenda
    HMDB0254678 hmdb
    Molport-003-665-443 molport
    The data in this table is sourced from UniChem at EBI.