Dataset

Flubendiamide

This MassBank record with Accession MSBNK-Eawag-EQ01125805 contains the MS2 mass spectrum of Flubendiamide with the InChIkey ZGNITFSDLCMLGI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
SMILES CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
InChI Key ZGNITFSDLCMLGI-UHFFFAOYSA-N
Molecular Formula C23H22F7IN2O4S
Exact Mass 682.023 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-EQ01125805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:44:19.532181
MetadataModified 2025-02-09T10:10:51.742747
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11193251 PubChem
GEV84ZI4K6 FDA SRS
272451-65-7 ACToR
16274250 PubChem: Thomson Pharma
26755437 eMolecules
ZINC000043065317 ZINC
CB21476013 ChemicalBook
SCHEMBL27362 SureChEMBL
CHEMBL563789 ChEMBL
38798 ChEBI
50488569 BindingDB
DTXSID4047672 EPA CompTox Dashboard
HATLEX CCDC
J2.180.104F Nikkaji
HMDB0252325 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.