Dataset

Metolachlor-ESA

This MassBank record with Accession MSBNK-Athens_Univ-AU206003 contains the MS2 mass spectrum of Metolachlor-ESA with the InChIkey CIGKZVUEZXGYSV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20)
SMILES CCC1=CC=CC(C)=C1N(C(C)COC)C(=O)CS(O)(=O)=O
InChI Key CIGKZVUEZXGYSV-UHFFFAOYSA-N
Molecular Formula C15H23NO5S
Exact Mass 329.130 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-AU206003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:02:49.485940
MetadataModified 2025-02-08T18:59:04.456117
MetadataPublished 2015-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.