Dataset

Terbutylazine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU367604 contains the MS2 mass spectrum of Terbutylazine 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(NC(C)(C)C)=NC(Cl)=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 https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU367604
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MetadataPublished 2015-12-09
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
    J9.588E Nikkaji
    HY-B1847 MedChemExpress
    JODMOF CCDC
    HMDB0258829 Human Metabolome Database
    ZINC000000163706 ZINC
    DTXSID4027608 EPA CompTox Dashboard
    C18810 KEGG Ligand
    30263 ChEBI
    CHEMBL1888237 ChEMBL
    15172363 PubChem: Thomson Pharma
    5915-41-3 ACToR
    SCHEMBL23642 SureChEMBL
    PD011990 ProbesDrugs
    M095B391J7 FDA SRS
    501394 eMolecules
    22206 PubChem
    CB3315253 ChemicalBook
    61213 Brenda
    The data in this table is sourced from UniChem at EBI.