Dataset

Propyphenazon; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF407103 contains the MS2 mass spectrum of Propyphenazon with the InChIkey PXWLVJLKJGVOKE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3
SMILES CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1
InChI Key PXWLVJLKJGVOKE-UHFFFAOYSA-N
Molecular Formula C14H18N2O
Exact Mass 230.142 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-UFZ-UF407103
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MetadataPublished 2017-01-05
Related Molecule
  • 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13524 drugbank
    CHEBI:135538 chebi
    CHEMBL28318 chembl
    23393 surechembl
    3778 pubchem
    OED8FV75PY fdasrs
    PD013521 probes_and_drugs
    BAQJEK CCDC
    HMDB0256846 hmdb
    Molport-001-796-335 molport
    2309 drugcentral
    The data in this table is sourced from UniChem at EBI.