Dataset

Chloroxuron

This MassBank record with Accession MSBNK-LCSB-LU091356 contains the MS2 mass spectrum of Chloroxuron with the InChIkey IVUXTESCPZUGJC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)
SMILES CN(C)C(=O)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1
InChI Key IVUXTESCPZUGJC-UHFFFAOYSA-N
Molecular Formula C15H15ClN2O2
Exact Mass 290.082 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU091356
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:01.881461
MetadataModified 2025-02-09T14:53:32.279665
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
509652 eMolecules
QER23C88ME FDA SRS
16012017 PubChem: Thomson Pharma
SCHEMBL132843 SureChEMBL
1982-47-4 ACToR
16115 PubChem
MCULE-8661514545 Mcule
DTXSID7040287 EPA CompTox Dashboard
HMDB0250129 Human Metabolome Database
J3.694C Nikkaji
82200 ChEBI
ZINC000002039034 ZINC
CB7113279 ChemicalBook
CHEMBL1568699 ChEMBL
The data in this table is sourced from UniChem at EBI.