Dataset

Dimethachlor-OXA

This MassBank record with Accession MSBNK-Athens_Univ-AU204405 contains the MS2 mass spectrum of Dimethachlor-OXA with the InChIkey MHGMSAFPNAKIRZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
SMILES COCCN(C(=O)C(O)=O)c1c(C)cccc1C
InChI Key MHGMSAFPNAKIRZ-UHFFFAOYSA-N
Molecular Formula C13H17NO4
Exact Mass 251.116 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-AU204405
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:51:57.379770
MetadataModified 2025-02-08T18:54:59.202452
MetadataPublished 2015-12-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID80891458 EPA CompTox Dashboard
MTBLC83485 Metabolights
ZINC000219969463 ZINC
83485 ChEBI
86290105 PubChem
The data in this table is sourced from UniChem at EBI.