Dataset

Desethylatrazine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU253702 contains the MS2 mass spectrum of Desethylatrazine with the InChIkey DFWFIQKMSFGDCQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
SMILES CC(C)NC1=NC(N)=NC(Cl)=N1
InChI Key DFWFIQKMSFGDCQ-UHFFFAOYSA-N
Molecular Formula C6H10ClN5
Exact Mass 187.062 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-AU253702
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Maintainer
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MetadataPublished 2019-05-29
Related Molecule
  • 6-chloro-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
    CHEBI:28212 chebi
    CHEMBL3184909 chembl
    1425222 surechembl
    22563 pubchem
    07PV14BK6X fdasrs
    105889 brenda
    182454 brenda
    182455 brenda
    HMDB0033249 hmdb
    Molport-001-759-116 molport
    The data in this table is sourced from UniChem at EBI.