Dataset

Desethylatrazine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM840801 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)Nc1nc(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-CASMI_2016-SM840801
Version
Author
Maintainer
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MetadataPublished 2016-12-12
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
    28212 ChEBI
    C06559 KEGG Ligand
    J285.118K Nikkaji
    CHEMBL3184909 ChEMBL
    CB8719151 ChemicalBook
    DTXSID5037494 EPA CompTox Dashboard
    22563 PubChem
    6190-65-4 ACToR
    SCHEMBL1425222 SureChEMBL
    14891914 PubChem: Thomson Pharma
    80004466 NMRShiftDB
    501424 eMolecules
    HMDB0033249 Human Metabolome Database
    105889 Brenda
    ZINC000000896284 ZINC
    MTBLC28212 Metabolights
    07PV14BK6X FDA SRS
    The data in this table is sourced from UniChem at EBI.