Page 4 - Application Notebook - Solution for Food Safety

LAAN-A-LM-E106

Application Liquid Chromatography Mass Spectrometry

News Shimadzu Pesticide MRM Library

Support for LC/MS/MS
No.C135 David R. Baker, Alan Barnes, Neil Loftus

Shimadzu Corporation, UK

n Abstract n Using the Shimadzu Pesticide MRM Library
To help expand capabilities in LC/MS/MS pesticide Expanding pesticide monitoring programmes (or
monitoring programs we have created the Shimadzu creating focused methods) can be quickly set up using
Pesticide MRM Library. The Library has been created the Library data base (Table 1) and create fully
with 766 certified reference standards and has been optimized MRM methods for LC/MS/MS analysis.
verified for use with Shimadzu LCMS-8050 and 8060
systems. Users select the target pesticides and corresponding
transitions from the Library and simply copy the list into
The Library contains information that can be used to a Shimadzu LabSolutions analytical method. The
accelerate method development in LC/MS/MS pesticide method will include optimized MRM transitions. Once
analysis including; the acquisition method is created users can start to
acquire data for screening or quantitative LC/MS/MS
An average of 8 MRM transitions for each analysis.
reference standard (with optimized collision
energies) are registered in the database including Table 1 The Shimadzu Pesticide MRM Library supports a list
positive and negative ionization mode. In total, of over 766 compounds. Designed to build extended
more than 6,000 MRM transitions are part of the LC/MS/MS methods quickly and to review pesticide
Library. information easily.
Meta-data for each library entry such as CAS#, Library entries
formula, activity, mono-isotopic mass and adduct Compound information Compound Name
masses, rank of MRM transitions, synonyms, InChI, Synonyms
InChIKey, compound names translation (Japanese Japanese name
and Chinese) and links to websites offering further Chinese name
information (alanwood.net, PAN pesticide CAS
database, Chemical Book, ChemSpider). The meta- Chemical Formula
Mono-isotopic mass
data is intended not only to set up new methods Theoretical m/z ([M+H]+,
quickly but to help search for compound [M+Na]+, [M+K]+, [M+NH4]+,
properties. [M-H]-)
Activity
Key words; Pesticide MRM Library, InChI
766 compound library InChIKey
MS/MS parameters Ionization mode
Q1 (m/z)
Q3 (m/z)
Q1 Pre Bias
CE
Q3 Pre Bias
Web links Alanwood.net
PAN Pesticide Database
Chemical Book
ChemSpider