Dataset

Lufenuron

This MassBank record with Accession MSBNK-Eawag-EQ00330359 contains the MS2 mass spectrum of Lufenuron with the InChIkey PWPJGUXAGUPAHP-UHFFFAOYSA-N.

InChI	InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
SMILES	FC(C(F)(F)F)C(F)(F)OC1=CC(Cl)=C(NC(=O)NC(=O)C2=C(F)C=CC=C2F)C=C1Cl
InChI Key	PWPJGUXAGUPAHP-UHFFFAOYSA-N
Molecular Formula	C17H8Cl2F8N2O3
Exact Mass	509.978 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00330359
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:32:09.085125
MetadataModified	2025-02-09T10:32:09.264168
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD000916	ProbesDrugs
LSM-21613	LINCS
14811335	PubChem: Thomson Pharma
SCHEMBL27105	SureChEMBL
103055-07-8	ACToR
71777	PubChem
CB6229074	ChemicalBook
39384	ChEBI
CHEMBL1364906	ChEMBL
C18434	KEGG Ligand
DTXSID5034357	EPA CompTox Dashboard
1R754M4918	FDA SRS
9CR45YMS74	FDA SRS
4629851K7Q	FDA SRS
HY-115584	MedChemExpress
LUFENURON	rxnorm
HMDB0254195	Human Metabolome Database
J481.190I	Nikkaji
510889	eMolecules
DB11424	DrugBank
The data in this table is sourced from UniChem at EBI.