Dataset

Trichlamide; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01141006 contains the MS2 mass spectrum of Trichlamide with the InChIkey NHTFLYKPEGXOAN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)
SMILES CCCCOC(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1O
InChI Key NHTFLYKPEGXOAN-UHFFFAOYSA-N
Molecular Formula C13H16Cl3NO3
Exact Mass 339.020 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01141006
Version
Author
Maintainer
Language
MetadataPublished 2023-04-27
Related Molecule
  • N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82058 chebi
    29726059 surechembl
    70426 surechembl
    115078 pubchem
    The data in this table is sourced from UniChem at EBI.