Dataset

Atrazine-desethyl-2-hydroxy; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EA027758 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 n(c(nc1NC(C)C)O)c(n1)N
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-Eawag-EA027758
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MetadataPublished 2014-01-14
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
    CHEBI:83463 chebi
    29776960 surechembl
    3194672 surechembl
    135510207 pubchem
    102207 brenda
    104558 brenda
    118310 brenda
    182452 brenda
    182453 brenda
    69525 brenda
    Molport-019-879-350 molport
    The data in this table is sourced from UniChem at EBI.