Dataset

Atrazine-desethyl-2-hydroxy; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU202351 contains the MS2 mass spectrum of Atrazine-desethyl-2-hydroxy with the InChIkey GCKLGRUZDXSATG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)
SMILES CC(C)/N=c\1/[nH]c(=N)nc([nH]1)O
InChI Key GCKLGRUZDXSATG-UHFFFAOYSA-N
Molecular Formula C6H11N5O
Exact Mass 169.096 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-AU202351
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MetadataPublished 2016-02-27
Related Molecule
  • 2-amino-6-(propan-2-ylamino)-1H-1,3,5-triazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL3194672 SureChEMBL
    509852 eMolecules
    19988-24-0 ACToR
    ZINC000013542453 ZINC
    DTXSID80173802 EPA CompTox Dashboard
    102207 Brenda
    MTBLC83463 Metabolights
    118310 Brenda
    83463 ChEBI
    J113.314D Nikkaji
    104558 Brenda
    CB5412583 ChemicalBook
    135510207 PubChem
    69525 Brenda
    The data in this table is sourced from UniChem at EBI.