Dataset

Dioxacarb

This MassBank record with Accession MSBNK-Eawag-EQ01123409 contains the MS2 mass spectrum of Dioxacarb with the InChIkey SDKQRNRRDYRQKY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)
SMILES CNC(=O)OC1=CC=CC=C1C2OCCO2
InChI Key SDKQRNRRDYRQKY-UHFFFAOYSA-N
Molecular Formula C11H13NO4
Exact Mass 223.084 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-Eawag-EQ01123409
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:52:28.163473
MetadataModified 2025-02-09T09:58:47.042180
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
28335 Brenda
23421 PubChem
14994278 PubChem: Thomson Pharma
6988-21-2 ACToR
SCHEMBL119641 SureChEMBL
698BEK3133 FDA SRS
J3.093G Nikkaji
82093 ChEBI
ZINC000002029696 ZINC
DTXSID2041886 EPA CompTox Dashboard
CHEMBL3188645 ChEMBL
C18953 KEGG Ligand
The data in this table is sourced from UniChem at EBI.