Dataset

Desisopropylatrazine; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF403003 contains the MS2 mass spectrum of Desisopropylatrazine with the InChIkey IVENSCMCQBJAKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
SMILES CCNC1=NC(Cl)=NC(N)=N1
InChI Key IVENSCMCQBJAKW-UHFFFAOYSA-N
Molecular Formula C5H8ClN5
Exact Mass 173.047 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-UFZ-UF403003
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27399 chebi
    CHEMBL1895845 chembl
    1425806 surechembl
    29400485 surechembl
    13878 pubchem
    E8EGZ3S34H fdasrs
    182456 brenda
    182457 brenda
    HMDB0250961 hmdb
    Molport-003-931-030 molport
    The data in this table is sourced from UniChem at EBI.