MassBank of North America

Spectrum WA000026 for Imidacloprid

Rating: ★★★★☆

Originally submitted to the MassBank High Quality Mass Spectral Database as MassBank

SPLASH:
splash10-056r-0790000000-6d669052382baae83c41
Submitter:
Nihon Waters

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Kingdom
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Organic compounds
- Superclass
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  Organic nitrogen compounds
  - Class
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    Organonitrogen compounds
    - Subclass
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      Guanidines

Compound Metadata

Name	Value
InChI Create New Query Add to Query	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)
InChIKey Create New Query Add to Query	YWTYJOPNNQFBPC-UHFFFAOYSA-N
molecular formula Create New Query Add to Query	C9H10ClN5O2
total exact mass Create New Query Add to Query	255.05230224000002
SMILES Create New Query Add to Query	O=N(=O)NC1=NCCN1CC2=CN=C(Cl)C=C2

External Identifier	Value
cas Create New Query Add to Query	10827-78-9

Mass Spectral Metadata

Name	Value
accession Create New Query Add to Query	WA000026
date Create New Query Add to Query	2016.01.19 (Created 2007.08.01, modified 2011.05.06)
author Create New Query Add to Query	Nihon Waters K.K.
license Create New Query Add to Query	CC BY-NC
exact mass Create New Query Add to Query	255.0523
instrument Create New Query Add to Query	QuattroPremier XE, Waters
instrument type Create New Query Add to Query	LC-ESI-QQ
ms level Create New Query Add to Query	MS2
collision energy Create New Query Add to Query	20 V
find peak Create New Query Add to Query	ignore rel.int. < 5
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	1.663589057078896
normalized entropy Create New Query Add to Query	0.5755623139252456
precursor m/z Create New Query Add to Query	256.02
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	157.30114834792482 ppm
mass error Create New Query Add to Query	-0.04027224000003571 Da