Dataset

Acetochlor-OXA

This MassBank record with Accession MSBNK-Athens_Univ-AU202903 contains the MS2 mass spectrum of Acetochlor-OXA with the InChIkey OTKTUNJJKYTOFF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H19NO4/c1-4-11-8-6-7-10(3)12(11)15(9-19-5-2)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)
SMILES CCOCN(C(=O)C(O)=O)C1=C(C)C=CC=C1CC
InChI Key OTKTUNJJKYTOFF-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-AU202903
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:46:29.297218
MetadataModified 2024-01-11T09:46:29.458470
MetadataPublished 2015-12-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15842091 PubChem
WG499WTE12 FDA SRS
CB9972261 ChemicalBook
83451 ChEBI
J906.296C Nikkaji
24281251 eMolecules
ZINC000034751486 ZINC
MTBLC83451 Metabolights
DTXSID1037484 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.