Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU256905 contains the MS2 mass spectrum of Cyprodinil with the InChIkey HAORKNGNJCEJBX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
SMILES CC1=NC(NC2=CC=CC=C2)=NC(=C1)C1CC1
InChI Key HAORKNGNJCEJBX-UHFFFAOYSA-N
Molecular Formula C14H15N3
Exact Mass 225.127 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-AU256905
Version
Author
Maintainer
Language
MetadataPublished 2019-05-29
Related Molecule
  • 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    86367 PubChem
    PD078803 ProbesDrugs
    42P6T6OFWZ FDA SRS
    15196072 PubChem: Thomson Pharma
    SCHEMBL22669 SureChEMBL
    121552-61-2 ACToR
    4045 ChEBI
    499868 eMolecules
    HMDB0034853 Human Metabolome Database
    ZINC000000900539 ZINC
    C10914 KEGG Ligand
    CHEMBL521027 ChEMBL
    HY-116214 MedChemExpress
    DTXSID1032359 EPA CompTox Dashboard
    NOVHEN CCDC
    J682.437D Nikkaji
    CB2337832 ChemicalBook
    The data in this table is sourced from UniChem at EBI.