Dataset

Novaluron

This MassBank record with Accession MSBNK-Eawag-EQ00355053 contains the MS2 mass spectrum of Novaluron with the InChIkey NJPPVKZQTLUDBO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
SMILES C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
InChI Key NJPPVKZQTLUDBO-UHFFFAOYSA-N
Molecular Formula C17H9ClF8N2O4
Exact Mass 492.012 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-EQ00355053
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:46:48.444585
MetadataModified 2025-02-09T09:46:48.647164
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J483.457G Nikkaji
232604 Brenda
Z8H1B3CW0B FDA SRS
HY-17519 MedChemExpress
DTXSID5034773 EPA CompTox Dashboard
39385 ChEBI
C18875 KEGG Ligand
CHEMBL1869031 ChEMBL
31634907 eMolecules
15132548 PubChem: Thomson Pharma
93541 PubChem
116714-46-6 ACToR
PD012342 ProbesDrugs
SCHEMBL26984 SureChEMBL
CB3250428 ChemicalBook
The data in this table is sourced from UniChem at EBI.