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
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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
    DB11421 drugbank
    CHEBI:39168 chebi
    CHEBI:39169 chebi
    CHEBI:5870 chebi
    IM4 rcsb_pdb
    CHEMBL406819 chembl
    12002532 surechembl
    182289 surechembl
    22278 surechembl
    22279 surechembl
    29373384 surechembl
    29436142 surechembl
    135527764 pubchem
    135541675 pubchem
    86287518 pubchem
    86418 pubchem
    3BN7M937V8 fdasrs
    PD004832 probes_and_drugs
    HANFOS CCDC
    14017 brenda
    HMDB0040292 hmdb
    Molport-000-770-602 molport
    5559 drugcentral
    50212288 bindingdb
    The data in this table is sourced from UniChem at EBI.