Dataset

Atrazine-desethyl-desisopropyl; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ339301 contains the MS2 mass spectrum of Atrazine-desethyl-desisopropyl with the InChIkey FVFVNNKYKYZTJU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
SMILES C1(=NC(=NC(=N1)Cl)N)N
InChI Key FVFVNNKYKYZTJU-UHFFFAOYSA-N
Molecular Formula C3H4ClN5
Exact Mass 145.016 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ339301
Version
Author
Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 6-chloro-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J80.717F Nikkaji
    ZUDTAV CCDC
    HMDB0246174 Human Metabolome Database
    CB3365076 ChemicalBook
    DTXSID1037806 EPA CompTox Dashboard
    CHEMBL1872965 ChEMBL
    27726 ChEBI
    C06560 KEGG Ligand
    18831 PubChem
    3397-62-4 ACToR
    SCHEMBL197055 SureChEMBL
    14769424 PubChem: Thomson Pharma
    PD065576 ProbesDrugs
    501494 eMolecules
    KVZ1HMR84L FDA SRS
    MCULE-1150667750 Mcule
    215633 Brenda
    ZINC000000896288 ZINC
    The data in this table is sourced from UniChem at EBI.