Dataset

Fluralaner

This MassBank record with Accession MSBNK-Eawag-EQ01159352 contains the MS2 mass spectrum of Fluralaner with the InChIkey MLBZKOGAMRTSKP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H17Cl2F6N3O3/c1-11-4-12(2-3-16(11)19(35)31-9-18(34)32-10-21(25,26)27)17-8-20(36-33-17,22(28,29)30)13-5-14(23)7-15(24)6-13/h2-7H,8-10H2,1H3,(H,31,35)(H,32,34)
SMILES CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
InChI Key MLBZKOGAMRTSKP-UHFFFAOYSA-N
Molecular Formula C22H17Cl2F6N3O3
Exact Mass 555.055 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-EQ01159352
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:04:39.155962
MetadataModified 2025-02-09T10:04:39.356982
MetadataPublished 2024-01-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB11414 DrugBank
WSH8393RM5 FDA SRS
BRAVECTO rxnorm
FLURALANER rxnorm
J2.839.495K Nikkaji
HMDB0252406 Human Metabolome Database
HY-16973 MedChemExpress
56471763 PubChem: Thomson Pharma
25144319 PubChem
CHEMBL2364610 ChEMBL
SCHEMBL121934 SureChEMBL
PD060861 ProbesDrugs
The data in this table is sourced from UniChem at EBI.