Dataset

Metolachlor-NOA 413173

This MassBank record with Accession MSBNK-Athens_Univ-AU255704 contains the MS2 mass spectrum of Metolachlor-NOA 413173 with the InChIkey WOXWIWNBIJDJHI-JTQLQIEISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H19NO6S/c1-4-11-7-5-6-9(2)13(11)15(10(3)14(17)18)12(16)8-22(19,20)21/h5-7,10H,4,8H2,1-3H3,(H,17,18)(H,19,20,21)/t10-/m0/s1
SMILES CCC1=CC=CC(C)=C1N([C@@H](C)C(O)=O)C(=O)CS(O)(=O)=O
InChI Key WOXWIWNBIJDJHI-JTQLQIEISA-N
Molecular Formula C14H19NO6S
Exact Mass 329.093 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-AU255704
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:09.265409
MetadataModified 2025-02-08T19:08:05.864490
MetadataPublished 2019-05-29
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
71312478 PubChem
ZINC000044672278 ZINC
The data in this table is sourced from UniChem at EBI.