Dataset

Pethoxamid; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF406202 contains the MS2 mass spectrum of Pethoxamid 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 CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
InChI Key CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Molecular Formula C16H22ClNO2
Exact Mass 295.134 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-UF406202
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MetadataPublished 2017-01-05
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
    J440.077A Nikkaji
    83523 ChEBI
    CHEMBL2287834 ChEMBL
    352ZYP854D FDA SRS
    ZINC000033985624 ZINC
    DTXSID4057928 EPA CompTox Dashboard
    30154920 eMolecules
    SCHEMBL114497 SureChEMBL
    106700-29-2 ACToR
    163427940 PubChem: Thomson Pharma
    6450826 PubChem
    The data in this table is sourced from UniChem at EBI.