Dataset

Imidacloprid

This MassBank record with Accession MSBNK-Eawag-EQ00270907 contains the MS2 mass spectrum of Imidacloprid with the InChIkey YWTYJOPNNQFBPC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
SMILES	[O-][N+](=O)\N=C1/NCCN1CC1=CN=C(Cl)C=C1
InChI Key	YWTYJOPNNQFBPC-UHFFFAOYSA-N
Molecular Formula	C9H10ClN5O2
Exact Mass	255.052 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-EQ00270907
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:54:36.571042
MetadataModified	2025-02-09T09:54:36.736679
MetadataPublished	2024-06-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
86418	PubChem
PD004832	ProbesDrugs
imidacloprid	Atlas
14750006	PubChem: Thomson Pharma
138261-41-3	ACToR
105827-78-9	ACToR
3BN7M937V8	FDA SRS
26354155	eMolecules
2725230	eMolecules
501849	eMolecules
HMDB0040292	Human Metabolome Database
DB11421	DrugBank
ZINC000004474604	ZINC
14017	Brenda
SCHEMBL22278	SureChEMBL
20209464	NMRShiftDB
MCULE-7224198077	Mcule
5870	ChEBI
CHEMBL406819	ChEMBL
39168	ChEBI
39169	ChEBI
IM4	PDBe
C11110	KEGG Ligand
50212288	BindingDB
HANFOS	CCDC
IMIDACLOPRID	rxnorm
HY-B0838	MedChemExpress
86287518	PubChem
DTXSID5032442	EPA CompTox Dashboard
CB6730574	ChemicalBook
135527764	PubChem
15122378	PubChem: Thomson Pharma
135541675	PubChem
The data in this table is sourced from UniChem at EBI.