Dataset

Metolachlor-TP CGA 368208

This MassBank record with Accession MSBNK-Eawag-EQ418053 contains the MS2 mass spectrum of Metolachlor-TP CGA 368208 with the InChIkey QPVPJECIHVSBLZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO4S/c1-3-9-6-4-5-8(2)11(9)12-10(13)7-17(14,15)16/h4-6H,3,7H2,1-2H3,(H,12,13)(H,14,15,16)
SMILES CCC1=C(NC(=O)CS(O)(=O)=O)C(C)=CC=C1
InChI Key QPVPJECIHVSBLZ-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-Eawag-EQ418053
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:53:30.425785
MetadataModified 2025-02-09T09:55:58.533325
MetadataPublished 2019-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
71312480 PubChem
ZINC000044018888 ZINC
The data in this table is sourced from UniChem at EBI.