Dataset

Diflubenzuron

This MassBank record with Accession MSBNK-Eawag-EQ00351851 contains the MS2 mass spectrum of Diflubenzuron with the InChIkey QQQYTWIFVNKMRW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
SMILES	FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1
InChI Key	QQQYTWIFVNKMRW-UHFFFAOYSA-N
Molecular Formula	C14H9ClF2N2O2
Exact Mass	310.032 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00351851
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:57:13.415986
MetadataModified	2025-02-09T09:57:13.601136
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DIFLUBENZURON	rxnorm
J1.888K	Nikkaji
CPFBUR	CCDC
PD000583	ProbesDrugs
J76U6ZSI8D	FDA SRS
SCHEMBL42416	SureChEMBL
509740	eMolecules
DTXSID1024049	EPA CompTox Dashboard
HY-B1973	MedChemExpress
ZINC000000236891	ZINC
44046	Brenda
CB8162496	ChemicalBook
HMDB0031778	Human Metabolome Database
37123	PubChem
MCULE-6280315206	Mcule
C14427	KEGG Ligand
CHEMBL49338	ChEMBL
34703	ChEBI
14800952	PubChem: Thomson Pharma
35367-38-5	ACToR
104790-81-0	ACToR
The data in this table is sourced from UniChem at EBI.