Dataset

Terbuthylazine-TP CSAA036479 (LM2); LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ417659 contains the MS2 mass spectrum of Terbuthylazine-TP CSAA036479 (LM2) with the InChIkey QKOJUBFULGSCQS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H11N5O3/c1-7(2,3(13)14)12-5-9-4(8)10-6(15)11-5/h1-2H3,(H,13,14)(H4,8,9,10,11,12,15)
SMILES CC(C)(NC1=NC(N)=NC(O)=N1)C(O)=O
InChI Key QKOJUBFULGSCQS-UHFFFAOYSA-N
Molecular Formula C7H11N5O3
Exact Mass 213.086 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-EQ417659
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MetadataPublished 2019-12-03
Related Molecule
  • 2-[(6-amino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135611801 PubChem
    J124.929K Nikkaji
    36576-45-1 ACToR
    The data in this table is sourced from UniChem at EBI.