Dataset

Terbutylazine; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA028411 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 c1(nc(nc(n1)Cl)NCC)NC(C)(C)C
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA028411
Version
Author
Maintainer
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MetadataPublished 2014-01-14
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.