Dataset

Metazachlor-OXA; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU206201 contains the MS2 mass spectrum of Metazachlor-OXA with the InChIkey PHMHHVKFXZNTKU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)
SMILES Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(O)=O
InChI Key PHMHHVKFXZNTKU-UHFFFAOYSA-N
Molecular Formula C14H15N3O3
Exact Mass 273.111 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-AU206201
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Author
Maintainer
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MetadataPublished 2015-12-05
Related Molecule
  • 2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID00891455 EPA CompTox Dashboard
    MTBLC83483 Metabolights
    ZINC000095629810 ZINC
    83483 ChEBI
    86290103 PubChem
    The data in this table is sourced from UniChem at EBI.