Dataset

Alachlor-OXA; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU202802 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 CCC1=CC=CC(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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU202802
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MetadataPublished 2015-12-05
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.