Dataset

Dimethachlor ESA

This MassBank record with Accession MSBNK-Athens_Univ-AU255502 contains the MS2 mass spectrum of Dimethachlor ESA with the InChIkey RVSCDWJKJDBFRS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18)
SMILES COCCN(C(=O)CS(O)(=O)=O)C1=C(C)C=CC=C1C
InChI Key RVSCDWJKJDBFRS-UHFFFAOYSA-N
Molecular Formula C13H19NO5S
Exact Mass 301.098 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-Athens_Univ-AU255502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:11:37.262054
MetadataModified 2025-02-08T19:08:31.144073
MetadataPublished 2019-05-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
83484 ChEBI
DTXSID20891457 EPA CompTox Dashboard
MTBLC83484 Metabolights
ZINC000219969364 ZINC
86290104 PubChem
The data in this table is sourced from UniChem at EBI.