Dataset

Terbutylazine-2-hydroxy; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU208103 contains the MS2 mass spectrum of Terbutylazine-2-hydroxy with the InChIkey OYTCZOJKXCTBHG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)
SMILES CCNC1=NC(=O)N=C(NC(C)(C)C)N1
InChI Key OYTCZOJKXCTBHG-UHFFFAOYSA-N
Molecular Formula C9H17N5O
Exact Mass 211.143 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-AU208103
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MetadataPublished 2015-12-06
Related Molecule
  • 2-(tert-butylamino)-6-(ethylamino)-1H-1,3,5-triazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    66753-07-9 ACToR
    24281330 eMolecules
    SCHEMBL2490841 SureChEMBL
    ZINC000002382709 ZINC
    DTXSID20216888 EPA CompTox Dashboard
    83471 ChEBI
    MTBLC83471 Metabolights
    J670.629K Nikkaji
    135495928 PubChem
    The data in this table is sourced from UniChem at EBI.