Dataset

Pyraflufen-ethyl

This MassBank record with Accession MSBNK-Eawag-EQ00355206 contains the MS2 mass spectrum of Pyraflufen-ethyl with the InChIkey APTZNLHMIGJTEW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3
SMILES CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl
InChI Key APTZNLHMIGJTEW-UHFFFAOYSA-N
Molecular Formula C15H13Cl2F3N2O4
Exact Mass 412.020 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-EQ00355206
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:31:20.896076
MetadataModified 2025-02-09T09:31:21.118664
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J653.644A Nikkaji
81828 ChEBI
DTXSID8034871 EPA CompTox Dashboard
182951 PubChem
CHEMBL1905010 ChEMBL
C18554 KEGG Ligand
XOC9Q2DLMI FDA SRS
SCHEMBL53390 SureChEMBL
ZINC000013828120 ZINC
93369582 PubChem: Thomson Pharma
129630-19-9 ACToR
CB3338568 ChemicalBook
36772357 eMolecules
The data in this table is sourced from UniChem at EBI.