Dataset

Fluometuron

This MassBank record with Accession MSBNK-Eawag-EQ00370952 contains the MS2 mass spectrum of Fluometuron with the InChIkey RZILCCPWPBTYDO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)
SMILES CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI Key RZILCCPWPBTYDO-UHFFFAOYSA-N
Molecular Formula C10H11F3N2O
Exact Mass 232.082 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-EQ00370952
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:53:55.948884
MetadataModified 2025-02-09T09:53:56.146222
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1569926 ChEMBL
C18853 KEGG Ligand
J3.388J Nikkaji
252417 Brenda
82012 ChEBI
82012 Rhea
HODHIS CCDC
ZINC000002038834 ZINC
CB1739608 ChemicalBook
DTXSID8020628 EPA CompTox Dashboard
509884 eMolecules
296378G1S8 FDA SRS
2164-17-2 ACToR
SCHEMBL67252 SureChEMBL
15068823 PubChem: Thomson Pharma
16562 PubChem
MCULE-3987043240 Mcule
The data in this table is sourced from UniChem at EBI.