Dataset

Flutolanil

This MassBank record with Accession MSBNK-Eawag-EQ00352406 contains the MS2 mass spectrum of Flutolanil with the InChIkey PTCGDEVVHUXTMP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
SMILES	CC(C)OC1=CC(NC(=O)C2=C(C=CC=C2)C(F)(F)F)=CC=C1
InChI Key	PTCGDEVVHUXTMP-UHFFFAOYSA-N
Molecular Formula	C17H16F3NO2
Exact Mass	323.113 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00352406
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:43:28.140627
MetadataModified	2025-02-09T09:43:28.312995
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
20209144	NMRShiftDB
74746	Brenda
47898	PubChem
PD075111	ProbesDrugs
2USL6Y9JZ4	FDA SRS
14826252	PubChem: Thomson Pharma
81792	ChEBI
SCHEMBL18555	SureChEMBL
66332-96-5	ACToR
3717737	eMolecules
C18502	KEGG Ligand
FTN	PDBe
CHEMBL487185	ChEMBL
MCULE-9182987528	Mcule
J21.615A	Nikkaji
ZINC000000001479	ZINC
DTXSID8024109	EPA CompTox Dashboard
KUYVOQ	CCDC
CB9478268	ChemicalBook
The data in this table is sourced from UniChem at EBI.