Dataset

Propyzamide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU232101 contains the MS2 mass spectrum of Propyzamide with the InChIkey PHNUZKMIPFFYSO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
SMILES CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C
InChI Key PHNUZKMIPFFYSO-UHFFFAOYSA-N
Molecular Formula C12H11Cl2NO
Exact Mass 255.022 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-AU232101
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MetadataPublished 2019-05-29
Related Molecule
  • 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    32154 PubChem
    PD118386 ProbesDrugs
    14892877 PubChem: Thomson Pharma
    11097-11-3 ACToR
    23950-58-5 ACToR
    2EZ95375S0 FDA SRS
    502045 eMolecules
    CB8182391 ChemicalBook
    20209127 NMRShiftDB
    SCHEMBL55124 SureChEMBL
    CHEMBL283487 ChEMBL
    C14333 KEGG Ligand
    34935 ChEBI
    MCULE-7506333827 Mcule
    DTXSID2020420 EPA CompTox Dashboard
    50099949 BindingDB
    J1.873B Nikkaji
    HMDB0256847 Human Metabolome Database
    HUDVEI CCDC
    ZINC000002014897 ZINC
    The data in this table is sourced from UniChem at EBI.