Dataset

Lenacil

This MassBank record with Accession MSBNK-Waters-WA002640 contains the MS mass spectrum of Lenacil with the InChIkey ZTMKADLOSYKWCA-UHFFFAOYSA-N.

Chemical Info

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 C(C3)CCC(C3)N(C(=O)1)C(=O)C(C2)=C(CC2)N1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002640
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:36.153724
MetadataModified 2024-01-11T22:50:36.311852
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6407 ChEBI
J3.387A Nikkaji
MCULE-5335871177 Mcule
50487030 BindingDB
16559 PubChem
SCHEMBL55361 SureChEMBL
X58DK6S8KX FDA SRS
PD159079 ProbesDrugs
2164-08-1 ACToR
16338407 PubChem: Thomson Pharma
CB6247874 ChemicalBook
ZINC000008952422 ZINC
DTXSID9042093 EPA CompTox Dashboard
HY-116706 MedChemExpress
C11200 KEGG Ligand
CHEMBL1522462 ChEMBL
1074966 eMolecules
4372230 eMolecules
The data in this table is sourced from UniChem at EBI.