Dataset

Metazachlor BH479-12; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU256003 contains the MS2 mass spectrum of Metazachlor BH479-12 with the InChIkey DFJUHFNLKWOTIZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22)
SMILES CC1=C(N(CN2C=CC=N2)C(=O)C(O)=O)C(=CC=C1)C(O)=O
InChI Key DFJUHFNLKWOTIZ-UHFFFAOYSA-N
Molecular Formula C14H13N3O5
Exact Mass 303.086 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-AU256003
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Maintainer
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MetadataPublished 2019-05-29
Related Molecule
  • 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    182564 ChEBI
    139291822 PubChem
    The data in this table is sourced from UniChem at EBI.