Dataset

Terbuthylazine

This MassBank record with Accession MSBNK-UFZ-WANA020211C9CFPH contains the MS2 mass spectrum of Terbuthylazine with the InChIkey FZXISNSWEXTPMF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)
SMILES CCNC1=NC(Cl)=NC(NC(C)(C)C)=N1
InChI Key FZXISNSWEXTPMF-UHFFFAOYSA-N
Molecular Formula C9H16ClN5
Exact Mass 229.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA020211C9CFPH
Version
Author
Maintainer
Language
MetadataPublished 2023-08-12
Related Molecule
  • 2-N-tert-butyl-6-chloro-4-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:30263 chebi
    CHEMBL1888237 chembl
    23642 surechembl
    29623015 surechembl
    22206 pubchem
    M095B391J7 fdasrs
    PD011990 probes_and_drugs
    JODMOF CCDC
    61213 brenda
    HMDB0258829 hmdb
    Molport-001-766-135 molport
    The data in this table is sourced from UniChem at EBI.