Dataset

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

This MassBank record with Accession MSBNK-UFZ-UF405351 contains the MS2 mass spectrum of Metolachlor OA with the InChIkey LNOOSYCKMKZOJB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19)
SMILES CCC1=C(N(C(C)COC)C(=O)C(O)=O)C(C)=CC=C1
InChI Key LNOOSYCKMKZOJB-UHFFFAOYSA-N
Molecular Formula C15H21NO4
Exact Mass 279.147 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-UF405351
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83652 chebi
    CHEMBL3560187 chembl
    29400807 surechembl
    15842092 pubchem
    V09UDI0MFU fdasrs
    Molport-047-919-063 molport
    The data in this table is sourced from UniChem at EBI.