Dataset

Butachlor; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU056006 contains the MS2 mass spectrum of Butachlor with the InChIkey HKPHPIREJKHECO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
SMILES CCCCOCN(C(=O)CCl)C1=C(CC)C=CC=C1CC
InChI Key HKPHPIREJKHECO-UHFFFAOYSA-N
Molecular Formula C17H26ClNO2
Exact Mass 311.165 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-LCSB-LU056006
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MetadataPublished 2020-08-19
Related Molecule
  • N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:3230 chebi
    CHEMBL1399036 chembl
    65784 surechembl
    31677 pubchem
    94NU90OO5K fdasrs
    PD199960 probes_and_drugs
    246638 brenda
    62792 brenda
    HMDB0249451 hmdb
    Molport-003-931-370 molport
    The data in this table is sourced from UniChem at EBI.