Dataset

Dimethenamid

This MassBank record with Accession MSBNK-Eawag-EQ00025402 contains the MS2 mass spectrum of Dimethenamid with the InChIkey JLYFCTQDENRSOL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3
SMILES COCC(C)N(C(=O)CCl)C1=C(C)SC=C1C
InChI Key JLYFCTQDENRSOL-UHFFFAOYSA-N
Molecular Formula C12H18ClNO2S
Exact Mass 275.075 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-EQ00025402
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:55:08.983429
MetadataModified 2025-02-09T09:55:09.148863
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91744 PubChem
SCHEMBL53864 SureChEMBL
87674-68-8 ACToR
16121612 PubChem: Thomson Pharma
511273 eMolecules
DTXSID4032376 EPA CompTox Dashboard
J3.032.849C Nikkaji
8504Z6C4XZ FDA SRS
HMDB0251377 Human Metabolome Database
83638 ChEBI
J646.758J Nikkaji
CB6107545 ChemicalBook
CHEMBL1565335 ChEMBL
C18499 KEGG Ligand
The data in this table is sourced from UniChem at EBI.