Dataset

Atrazine; ESI-QTOF; MS2; CE: 20; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000027 contains the MS2 mass spectrum of Atrazine with the InChIkey MXWJVTOOROXGIU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
SMILES CCNC1N=C(Cl)N=C(NC(C)C)N=1
InChI Key MXWJVTOOROXGIU-UHFFFAOYSA-N
Molecular Formula C8H14ClN5
Exact Mass 215.094 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-AGILENT-AG000027
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MetadataPublished 2023-02-17
Related Molecule
  • 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07392 drugbank
    CHEBI:15930 chebi
    ATZ rcsb_pdb
    CHEMBL15063 chembl
    21045984 surechembl
    29353679 surechembl
    36936 surechembl
    2256 pubchem
    QJA9M5H4IM fdasrs
    PD005295 probes_and_drugs
    PORJIR CCDC
    1113 brenda
    HMDB0041830 hmdb
    The data in this table is sourced from UniChem at EBI.