Dataset

Trichlamide

This MassBank record with Accession MSBNK-Eawag-EQ01141005 contains the MS2 mass spectrum of Trichlamide with the InChIkey NHTFLYKPEGXOAN-UHFFFAOYSA-N.

Chemical Info

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-EQ01141005
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:12:08.747526
MetadataModified 2025-02-09T09:46:59.445728
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
115078 PubChem
14900317 PubChem: Thomson Pharma
70193-21-4 ACToR
SCHEMBL70426 SureChEMBL
DTXSID00867877 EPA CompTox Dashboard
C18916 KEGG Ligand
J364.596G Nikkaji
82058 ChEBI
CB0385536 ChemicalBook
The data in this table is sourced from UniChem at EBI.