Dataset

Pethoxamide; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA070009 contains the MS2 mass spectrum of Pethoxamide with the InChIkey CSWIKHNSBZVWNQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
SMILES ClCC(=O)N(CCOCC)\C(=C(\C)C)c1ccccc1
InChI Key CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Molecular Formula C16H22ClNO2
Exact Mass 295.133 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-Eawag-EA070009
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MetadataPublished 2014-01-14
Related Molecule
  • 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83523 chebi
    CHEMBL2287834 chembl
    114497 surechembl
    6450826 pubchem
    352ZYP854D fdasrs
    Molport-051-853-350 molport
    The data in this table is sourced from UniChem at EBI.