Dataset

Imidacloprid-urea

This MassBank record with Accession MSBNK-Athens_Univ-AU204902 contains the MS2 mass spectrum of Imidacloprid-urea with the InChIkey ADWTYURAFSWNSU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)
SMILES c1cc(ncc1CN2CCN=C2O)Cl
InChI Key ADWTYURAFSWNSU-UHFFFAOYSA-N
Molecular Formula C9H10ClN3O
Exact Mass 211.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:46:13.623368
MetadataModified 2024-01-11T09:46:13.784191
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL71188 ChEMBL
83544 ChEBI
20182596 NMRShiftDB
PAXNUZ CCDC
J468.137A Nikkaji
15390532 PubChem
PD167467 ProbesDrugs
96078761 PubChem: Thomson Pharma
120868-66-8 ACToR
575W874H6J FDA SRS
ZINC000013798238 ZINC
DTXSID1037563 EPA CompTox Dashboard
50472294 BindingDB
MTBLC83544 Metabolights
The data in this table is sourced from UniChem at EBI.