Dataset

Lenacil; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU254401 contains the MS2 mass spectrum of Lenacil with the InChIkey ZTMKADLOSYKWCA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
SMILES O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1
InChI Key ZTMKADLOSYKWCA-UHFFFAOYSA-N
Molecular Formula C13H18N2O2
Exact Mass 234.137 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-AU254401
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MetadataPublished 2019-05-29
Related Molecule
  • 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5335871177 Mcule
    ZINC000008952422 ZINC
    CB6247874 ChemicalBook
    1074966 eMolecules
    4372230 eMolecules
    16559 PubChem
    X58DK6S8KX FDA SRS
    SCHEMBL55361 SureChEMBL
    PD159079 ProbesDrugs
    2164-08-1 ACToR
    16338407 PubChem: Thomson Pharma
    DTXSID9042093 EPA CompTox Dashboard
    HY-116706 MedChemExpress
    6407 ChEBI
    50487030 BindingDB
    J3.387A Nikkaji
    CHEMBL1522462 ChEMBL
    C11200 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.