Dataset

Lenacil; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111011721 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 C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O
InChI Key ZTMKADLOSYKWCA-UHFFFAOYSA-N
Molecular Formula C13H18N2O2
Exact Mass 234.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111011721
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
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.