Dataset

Fipronil-sulfone

This MassBank record with Accession MSBNK-Eawag-EA266762 contains the MS2 mass spectrum of Fipronil-sulfone with the InChIkey LGHZJDKSVUTELU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2
SMILES NC1=C(C(=NN1c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F
InChI Key LGHZJDKSVUTELU-UHFFFAOYSA-N
Molecular Formula C12H4Cl2F6N4O2S
Exact Mass 451.934 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA266762
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:18.360988
MetadataModified 2025-02-09T09:46:14.287190
MetadataPublished 2014-01-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
KE7T0T1PQ7 FDA SRS
70115493 NMRShiftDB
120068-36-2 ACToR
85158089 PubChem: Thomson Pharma
3078139 PubChem
SCHEMBL922220 SureChEMBL
CB6500597 ChemicalBook
MTBLC83487 Metabolights
DTXSID6074750 EPA CompTox Dashboard
83487 ChEBI
J1.048.279H Nikkaji
HMDB0252267 Human Metabolome Database
ZINC000033900823 ZINC
The data in this table is sourced from UniChem at EBI.