Dataset

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

This MassBank record with Accession MSBNK-Eawag-EA010059 contains the MS2 mass spectrum of Alachlor OXA with the InChIkey MHCYOELBTPOBIU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
SMILES CCc1cccc(CC)c1N(COC)C(=O)C(O)=O
InChI Key MHCYOELBTPOBIU-UHFFFAOYSA-N
Molecular Formula C14H19NO4
Exact Mass 265.131 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-EA010059
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MetadataPublished 2014-01-14
Related Molecule
  • 2-[2,6-diethyl-N-(methoxymethyl)anilino]-2-oxoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24281254 eMolecules
    ZINC000034410385 ZINC
    DTXSID1037486 EPA CompTox Dashboard
    83450 ChEBI
    MTBLC83450 Metabolights
    J593.924K Nikkaji
    14924483 PubChem
    The data in this table is sourced from UniChem at EBI.