Dataset

Cyprodinil-TP CGA 249287; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ417304 contains the MS2 mass spectrum of Cyprodinil-TP CGA 249287 with the InChIkey KPMMRZPKAYBHME-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11N3/c1-5-4-7(6-2-3-6)11-8(9)10-5/h4,6H,2-3H2,1H3,(H2,9,10,11)
SMILES CC1=NC(N)=NC(=C1)C1CC1
InChI Key KPMMRZPKAYBHME-UHFFFAOYSA-N
Molecular Formula C8H11N3
Exact Mass 149.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ417304
Version
Author
Maintainer
Language
MetadataPublished 2019-12-03
Related Molecule
  • 4-cyclopropyl-6-methylpyrimidin-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4590128 ChEMBL
    J895.825D Nikkaji
    ZINC000034121575 ZINC
    MCULE-8173630214 Mcule
    DTXSID30896938 EPA CompTox Dashboard
    13672658 PubChem
    SCHEMBL8817791 SureChEMBL
    85B3PPX8R1 FDA SRS
    The data in this table is sourced from UniChem at EBI.