Dataset

Metalaxyl; LC-ESI-QTOF; MS2; CE: Ramp 20.9-31.3 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU256706 contains the MS2 mass spectrum of Metalaxyl with the InChIkey ZQEIXNIJLIKNTD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
SMILES COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C
InChI Key ZQEIXNIJLIKNTD-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-Athens_Univ-AU256706
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MetadataPublished 2019-05-31
Related Molecule
  • methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82790 chebi
    CHEMBL105809 chembl
    20990 surechembl
    42586 pubchem
    16K4M187IF fdasrs
    PD088593 probes_and_drugs
    HMDB0031802 hmdb
    Molport-003-930-909 molport
    The data in this table is sourced from UniChem at EBI.