Dataset

Cyromazine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU262502 contains the MS2 mass spectrum of Cyromazine with the InChIkey LVQDKIWDGQRHTE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
SMILES NC1=NC(NC2CC2)=NC(N)=N1
InChI Key LVQDKIWDGQRHTE-UHFFFAOYSA-N
Molecular Formula C6H10N6
Exact Mass 166.097 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-Athens_Univ-AU262502
Version
Author
Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:30260 chebi
    AX3 rcsb_pdb
    CHEMBL1231107 chembl
    27231 surechembl
    47866 pubchem
    DB20549 drugbank
    PD000677 probes_and_drugs
    XEYSUS CCDC
    CA49Y29RA9 fdasrs
    HMDB0029862 hmdb
    Molport-003-933-360 molport
    The data in this table is sourced from UniChem at EBI.