Dataset

Cloethocarb

This MassBank record with Accession MSBNK-Eawag-EQ01121801 contains the MS2 mass spectrum of Cloethocarb with the InChIkey PITWUHDDNUVBPT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)
SMILES CNC(=O)OC1=CC=CC=C1OC(CCl)OC
InChI Key PITWUHDDNUVBPT-UHFFFAOYSA-N
Molecular Formula C11H14ClNO4
Exact Mass 259.061 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-EQ01121801
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:37:16.891824
MetadataModified 2025-02-09T10:05:02.435396
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
40032 PubChem
47213610 PubChem: Thomson Pharma
SCHEMBL73994 SureChEMBL
51487-69-5 ACToR
30513383 eMolecules
C18951 KEGG Ligand
HMDB0250338 Human Metabolome Database
J261.737D Nikkaji
82091 ChEBI
BVH4P57R5O FDA SRS
DTXSID8041791 EPA CompTox Dashboard
CB4927600 ChemicalBook
The data in this table is sourced from UniChem at EBI.