Dataset

Dimethachlor

This MassBank record with Accession MSBNK-Athens_Univ-AU339004 contains the MS2 mass spectrum of Dimethachlor with the InChIkey SCCDDNKJYDZXMM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3
SMILES COCCN(C(=O)CCl)C1=C(C)C=CC=C1C
InChI Key SCCDDNKJYDZXMM-UHFFFAOYSA-N
Molecular Formula C13H18ClNO2
Exact Mass 255.103 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-Athens_Univ-AU339004
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:23.064523
MetadataModified 2025-02-08T19:21:04.544918
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18718 KEGG Ligand
CHEMBL1374401 ChEMBL
81911 ChEBI
DTXSID3058111 EPA CompTox Dashboard
J10.486H Nikkaji
ZINC000002005705 ZINC
509742 eMolecules
39722 PubChem
CB9393497 ChemicalBook
14750009 PubChem: Thomson Pharma
50563-36-5 ACToR
SCHEMBL67002 SureChEMBL
3G91ARZ496 FDA SRS
The data in this table is sourced from UniChem at EBI.