Dataset

Acifluorfen

This MassBank record with Accession MSBNK-AGILENT-AG000039 contains the MS2 mass spectrum of Acifluorfen with the InChIkey NUFNQYOELLVIPL-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
SMILES	[O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F
InChI Key	NUFNQYOELLVIPL-UHFFFAOYSA-N
Molecular Formula	C14H7ClF3NO5
Exact Mass	360.996 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000039
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:28:54.453757
MetadataModified	2024-01-11T09:28:54.608655
MetadataPublished	2023-02-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
499736	eMolecules
CHEMBL222440	ChEMBL
DB07338	DrugBank
ACJ	PDBe
44073	PubChem
PD005331	ProbesDrugs
OI60IB203A	FDA SRS
14828337	PubChem: Thomson Pharma
73172	ChEBI
50594-66-6	ACToR
SCHEMBL38929	SureChEMBL
FIPXIL	CCDC
CB1177208	ChemicalBook
2168	Brenda
123007	Brenda
HMDB0037112	Human Metabolome Database
50359942	BindingDB
HY-128075	MedChemExpress
DTXSID0020022	EPA CompTox Dashboard
ZINC000002032367	ZINC
The data in this table is sourced from UniChem at EBI.