Qualitative Pesticide Screening and Binary Comparison of a Spinach Sample Using HRMS

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Gareth Cleland, Kendon Graham, Kenneth Rosnack, Adam Ladak, and Jennifer Burgess
Content Type:
Application Notes
Content Subtype:
Application Notes
Related Products:
SYNAPT G2-Si High Definition Mass Spectrometry

Multi-analyte screening methodologies are essential for monitoring food and environmental samples across the globe. The goal of these methods is to eliminate the compliant samples and to identify the non-compliant samples for subsequent confirmation and quantification. Sensitivity must be in line with the relevant regulatory limits for residues in complex matrices. Also, a method must be validated in accordance with legislative requirements. This method would ideally be rapid, cost effective and a streamlined process, from sample preparation to reporting results.

Many laboratories are progressing towards high-resolution mass spectrometry (HRMS) screening techniques that, in theory, can monitor for an unlimited number of targets at the same time as providing information to help discover unknown compounds or metabolites of interest.

The ease of use and efficacy of a non-targeted, data independent, analysis type (MSE and HDMSE), coupled with a state-of-the-art scientific information system (UNIFI) for multi-analyte screening in food and environmental samples is demonstrated with this case study involving an authentic sample analysis. This application note introduces a novel way users can customize data review within the scientific software for use in a routine environment, which allows:

  • Screening for a theoretical unlimited number of compounds in a single injection.
  • Simultaneous collection of qualitative and quantitative unbiased data for either targeted or non-targeted analysis.
  • Interrogation of data for the presence of unknown compounds of interest via filtering, binary compare, and statistical analysis.
  • Structural elucidation of isolated unknown compounds of interest.
  • Historical data review performed using accurate mass precursor and fragment ion information.

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