BfRshort forGerman Federal Institute for Risk Assessment Data for LC-MS/MS-Detection
The BfRshort forGerman Federal Institute for Risk Assessment has compiled relevant detection parameters and further information to support the development of LC-MS/MS methods and food monitoring for many active substances.
List of pesticides for which complete sets of all necessary measurement parameters and mass spectra are available
The list of pesticides for which information is currently available contains 639 active substances and metabolites (External Link:list of pesticides for which methodological information is currently available).
The BfRshort forGerman Federal Institute for Risk Assessment also provides the following information on these active substances:
Complete sets of acquisition parameters for MRM detection with the API 2000 mass spectrometer (Applied Biosystems) after electrospray ionization (ESI) in positive and, if necessary, negative modeModeTo glossary. This compilation also contains product ion mass spectra (often also for stable isotopes (e.g., 37Cl or 34S)) and proposals for structures of the two product ions selected for MRM detection:
- Complete acquisition parameter sets for positive electrospray part 1 for A-K.zip
- Complete acquisition parameter sets for positive electrospray part 2 for L-Z.zip
- Complete acquisition parameter sets for negative electrospray.zip
Product ion mass spectra at three collision energies for all active substances in order to validate positive findings
- Library of product ion spectra for pesticide residue analysis
- Example for product ion spectra
Selected LC-MS/MS parameters for other active substances and metabolites of plant protection products
In addition to the above list of pesticides for which complete sets of all necessary measurement parameters and mass spectra are available, the BfRshort forGerman Federal Institute for Risk Assessment provides selected measurement parameters for a further 600 analytes. These are based on information obtained from LC-MS/MS methods for risk assessment and monitoring of pesticide residues during the approval of plant protection products and their active substances.
The table contains information on metabolites of active substances already recorded, but also data for active substances and their metabolites that have not yet been taken into account. Ionization was mainly performed by ESI, with only 3% of the methods employing atmospheric pressure chemical ionization (APCI). In addition to general information such as the IUPAC name, the CAS No. (if known) and the associated parent substances, specific mass spectrometric data on the type of ionization, dwell time, declustering potential, collision energy and exit potential from the collision cell are given for two ion transitions per analyte, where possible.
Drinking water analysis: Data collection for the determination of active substances in plant protection products using LC-MS/MS and direct injection
The BfRshort forGerman Federal Institute for Risk Assessment developed for 300 pesticides a multi residue method for the detection of pesticides in drinking water using an API 4000 mass spectrometer (Applied Biosystems). Many pesticides can be analysed at concentrations of 0.1 µgshort formicrogram/l (drinking water limit value) by this method. Details of the method have been published (Greulich and Alder, 2008). The complete results of the method development are available from: