Dataset

Acetochlor; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU322103 contains the MS2 mass spectrum of Acetochlor with the InChIkey VTNQPKFIQCLBDU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
SMILES CCOCN(C(=O)CCl)C1=C(CC)C=CC=C1C
InChI Key VTNQPKFIQCLBDU-UHFFFAOYSA-N
Molecular Formula C14H20ClNO2
Exact Mass 269.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU322103
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Maintainer
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MetadataPublished 2015-12-09
Related Molecule
  • 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:2394 chebi
    CHEMBL1517425 chembl
    21390 surechembl
    29366709 surechembl
    1988 pubchem
    8L08WMO94K fdasrs
    PD080495 probes_and_drugs
    CIJVIC CCDC
    118985 brenda
    144962 brenda
    HMDB0247910 hmdb
    The data in this table is sourced from UniChem at EBI.