Dataset

Procymidone; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00310205 contains the MS2 mass spectrum of Procymidone with the InChIkey QXJKBPAVAHBARF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3
SMILES CC12CC1(C)C(=O)N(C2=O)C1=CC(Cl)=CC(Cl)=C1
InChI Key QXJKBPAVAHBARF-UHFFFAOYSA-N
Molecular Formula C13H11Cl2NO2
Exact Mass 283.017 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-EQ00310205
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MetadataPublished 2024-06-14
Related Molecule
  • 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID9033923 EPA CompTox Dashboard
    J1.886D Nikkaji
    HMDB0256790 Human Metabolome Database
    CB5447264 ChemicalBook
    CHEMBL513678 ChEMBL
    C10986 KEGG Ligand
    MCULE-1250895825 Mcule
    20207581 NMRShiftDB
    SCHEMBL23093 SureChEMBL
    36242 PubChem
    14799789 PubChem: Thomson Pharma
    32809-16-8 ACToR
    501448 eMolecules
    The data in this table is sourced from UniChem at EBI.