Dataset

Fipronil-TP RPA 200761

This MassBank record with Accession MSBNK-Eawag-EQ418154 contains the MS2 mass spectrum of Fipronil-TP RPA 200761 with the InChIkey OHWPIAZSHNMBAC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H5Cl2F6N3O3S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)27(26)12(18,19)20/h1-2H,21H2,(H,24,25)
SMILES NC1=C(C(=NN1C1=C(Cl)C=C(C=C1Cl)C(F)(F)F)C(O)=O)S(=O)C(F)(F)F
InChI Key OHWPIAZSHNMBAC-UHFFFAOYSA-N
Molecular Formula C12H5Cl2F6N3O3S
Exact Mass 454.933 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-EQ418154
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:34:45.534781
MetadataModified 2025-02-09T09:55:14.243850
MetadataPublished 2019-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL18393472 SureChEMBL
23079075 PubChem
The data in this table is sourced from UniChem at EBI.