Dataset

tau-Fluvalinate

This MassBank record with Accession MSBNK-Eawag-EQ00322507 contains the MS2 mass spectrum of tau-Fluvalinate with the InChIkey INISTDXBRIBGOC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3
SMILES CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl
InChI Key INISTDXBRIBGOC-UHFFFAOYSA-N
Molecular Formula C26H22ClF3N2O3
Exact Mass 502.127 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-EQ00322507
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:04.018217
MetadataModified 2025-02-09T10:03:04.213391
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5135 ChEBI
C10989 KEGG Ligand
J18.831J Nikkaji
HMDB0252422 Human Metabolome Database
CHEMBL3185183 ChEMBL
364G5G03VC FDA SRS
DTXSID7024110 EPA CompTox Dashboard
CB0386548 ChemicalBook
50516 PubChem
15084990 PubChem: Thomson Pharma
69409-94-5 ACToR
PD150609 ProbesDrugs
SCHEMBL116510 SureChEMBL
The data in this table is sourced from UniChem at EBI.