Dataset

Metolachlor OA

This MassBank record with Accession MSBNK-UFZ-UF405352 contains the MS2 mass spectrum of Metolachlor OA with the InChIkey LNOOSYCKMKZOJB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19)
SMILES CCC1=C(N(C(C)COC)C(=O)C(O)=O)C(C)=CC=C1
InChI Key LNOOSYCKMKZOJB-UHFFFAOYSA-N
Molecular Formula C15H21NO4
Exact Mass 279.147 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-UFZ-UF405352
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:51:58.979716
MetadataModified 2025-02-09T19:47:05.545186
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
V09UDI0MFU FDA SRS
J1.797.596J Nikkaji
DTXSID6037568 EPA CompTox Dashboard
CHEMBL3560187 ChEMBL
83652 ChEBI
24281256 eMolecules
15842092 PubChem
The data in this table is sourced from UniChem at EBI.