Dataset

Imidacloprid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000025 contains the MS2 mass spectrum of Imidacloprid with the InChIkey YWTYJOPNNQFBPC-UHFFFAOYSA-N.

Chemical Information

molecular Image
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=C(N2)N(CC2)Cc(c1)cnc(Cl)c1
InChI Key YWTYJOPNNQFBPC-UHFFFAOYSA-N
Molecular Formula C9H10ClN5O2
Exact Mass 255.052 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000025
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
    • 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.