Dataset

Flufenacet-ESA

This MassBank record with Accession MSBNK-Athens_Univ-AU205403 contains the MS2 mass spectrum of Flufenacet-ESA with the InChIkey SZCMHDLOUVZYST-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14FNO4S/c1-8(2)13(11(14)7-18(15,16)17)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)
SMILES CC(C)N(C(=O)CS(O)(=O)=O)C1=CC=C(F)C=C1
InChI Key SZCMHDLOUVZYST-UHFFFAOYSA-N
Molecular Formula C11H14FNO4S
Exact Mass 275.063 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-Athens_Univ-AU205403
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:59:38.711109
MetadataModified 2025-02-08T19:07:30.541537
MetadataPublished 2015-12-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16212225 PubChem
DTXSID60891451 EPA CompTox Dashboard
ZINC000043215006 ZINC
MTBLC83473 Metabolights
83473 ChEBI
J1.704.091J Nikkaji
The data in this table is sourced from UniChem at EBI.