Dataset

Imazalil (Enilconazole)

This MassBank record with Accession MSBNK-AGILENT-AG000002 contains the MS2 mass spectrum of Imazalil (Enilconazole) with the InChIkey PZBPKYOVPCNPJY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
SMILES	C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl
InChI Key	PZBPKYOVPCNPJY-UHFFFAOYSA-N
Molecular Formula	C14H14Cl2N2O
Exact Mass	296.048 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-AG000002
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:14.227005
MetadataModified	2024-01-11T09:29:14.375275
MetadataPublished	2023-02-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL356918	ChEMBL
C18739	KEGG Ligand
12013787	PubChem: Drugs of the Future
2729261	eMolecules
37175	PubChem
PD013183	ProbesDrugs
LSM-4333	LINCS
15097231	PubChem: Thomson Pharma
SCHEMBL22498	SureChEMBL
35554-44-0	ACToR
J21.235K	Nikkaji
20209830	NMRShiftDB
MCULE-1892353746	Mcule
83829	ChEBI
HY-B1134	MedChemExpress
6K0NOF3XQ6	FDA SRS
DTXSID8024151	EPA CompTox Dashboard
3177	DrugCentral
ENILCONAZOLE	rxnorm
CB4251497	ChemicalBook
50051843	BindingDB
HMDB0031794	Human Metabolome Database
16936	Brenda
The data in this table is sourced from UniChem at EBI.