Dataset

Hexazinone; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU260205 contains the MS2 mass spectrum of Hexazinone with the InChIkey CAWXEEYDBZRFPE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
SMILES CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C
InChI Key CAWXEEYDBZRFPE-UHFFFAOYSA-N
Molecular Formula C12H20N4O2
Exact Mass 252.159 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-AU260205
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MetadataPublished 2019-05-30
Related Molecule
  • 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    39965 PubChem
    14774386 PubChem: Thomson Pharma
    51235-04-2 ACToR
    SCHEMBL66377 SureChEMBL
    Y51727MR1Y FDA SRS
    31216689 eMolecules
    CB7319547 ChemicalBook
    ZINC000000900553 ZINC
    CHEMBL2252598 ChEMBL
    HMDB0253153 Human Metabolome Database
    J11.187B Nikkaji
    HY-B1849 MedChemExpress
    50487023 BindingDB
    DTXSID4024145 EPA CompTox Dashboard
    5705 ChEBI
    C10926 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.