Dataset

Flumioxazin

This MassBank record with Accession MSBNK-Eawag-EQ00316706 contains the MS2 mass spectrum of Flumioxazin with the InChIkey FOUWCSDKDDHKQP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
SMILES	FC1=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2
InChI Key	FOUWCSDKDDHKQP-UHFFFAOYSA-N
Molecular Formula	C19H15FN2O4
Exact Mass	354.102 g/mol

Data and Resources

FlumioxazinHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00316706
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:13:55.643461
MetadataModified	2025-02-09T10:13:56.656808
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
92425	PubChem
103361-09-7	ACToR
CHEMBL2133606	ChEMBL
16243537	PubChem: Thomson Pharma
SCHEMBL39699	SureChEMBL
L0PX7OGI22	FDA SRS
30154916	eMolecules
HMDB0034854	Human Metabolome Database
14055	Brenda
ZINC000000900727	ZINC
J1.633.636J	Nikkaji
J664.809F	Nikkaji
HY-114507	MedChemExpress
50487098	BindingDB
NUPPUL	CCDC
8939	ChEBI
DTXSID7032555	EPA CompTox Dashboard
CB4273583	ChemicalBook
C11035	KEGG Ligand
The data in this table is sourced from UniChem at EBI.