Dataset

Pethoxamide

This MassBank record with Accession MSBNK-Eawag-EA070007 contains the MS2 mass spectrum of Pethoxamide with the InChIkey CSWIKHNSBZVWNQ-UHFFFAOYSA-N.

Chemical Info

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-EA070007
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:14.352690
MetadataModified 2025-02-09T09:55:42.732460
MetadataPublished 2014-01-14
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.