Dataset

Alachlor-OXA

This MassBank record with Accession MSBNK-Athens_Univ-AU202803 contains the MS2 mass spectrum of Alachlor-OXA with the InChIkey MHCYOELBTPOBIU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H19NO4/c1-4-10-7-6-8-11(5-2)12(10)15(9-19-3)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
SMILES CCC1=CC=CC(CC)=C1N(COC)C(=O)C(O)=O
InChI Key MHCYOELBTPOBIU-UHFFFAOYSA-N
Molecular Formula C14H19NO4
Exact Mass 265.131 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-AU202803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:44:52.015264
MetadataModified 2024-01-11T09:44:52.170969
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24281254 eMolecules
ZINC000034410385 ZINC
MTBLC83450 Metabolights
14924483 PubChem
DTXSID1037486 EPA CompTox Dashboard
J593.924K Nikkaji
83450 ChEBI
The data in this table is sourced from UniChem at EBI.