Dataset

Propachlor-ESA

This MassBank record with Accession MSBNK-Athens_Univ-AU207202 contains the MS2 mass spectrum of Propachlor-ESA with the InChIkey BFSZJLBDHMMCAH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16)
SMILES CC(C)N(C(=O)CS(O)(=O)=O)C1=CC=CC=C1
InChI Key BFSZJLBDHMMCAH-UHFFFAOYSA-N
Molecular Formula C11H15NO4S
Exact Mass 257.072 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-AU207202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:15.797887
MetadataModified 2024-01-11T09:48:15.954346
MetadataPublished 2015-12-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J391.789D Nikkaji
MTBLC83475 Metabolights
DTXSID20891452 EPA CompTox Dashboard
83475 ChEBI
ZINC000043215004 ZINC
16212221 PubChem
The data in this table is sourced from UniChem at EBI.