From Screening to Confirmation: A Comprehensive Food Safety Analysis

Data-independent acquisition (DIA) allows for suspect screening in complex matrices with retroactive analysis capabilities important to emerging compounds of interest in food safety. However, with increased analyte scope, the review of questionable identifications can create an analysis burden requiring timely review and reinjections.

Here, we present a robust DIA methodology with a novel prototype LC/Q-TOF, leveraging a combination of high-resolution, extended dynamic range, stable and accurate mass, and isotopic fidelity with coeluting fragmentation ions for identification, analyzed with MH Quantitative Analysis 12.1 and LC Screener Tool. Over 200 analytes were identified from a spiked broccoli matrix prepared with QuEChERS, resulting in good calibration curve linearity and low area %RSDs. Fused is the Intelligent Reflex Workflow used to automatically evaluate and reinject samples in which results were flagged as questionable and/or identified via targeted MS/MS utilizing the available m/z and RT information.

Transferring questionable results into confirmed identifications is achieved by acquiring targeted data for present compounds. Leveraging the combination of DIA and automatically enabled targeted MS/MS reinjections via Intelligent Reflex allows for broad screening analysis and confident identification confirmation of analytes.

These presentations were recorded during ASMS 2023 so if you weren’t able to attend in person there’s a chance to watch them on-demand. The presentations will be followed by a Q&A so please remember to submit your questions by completing the registration form and they will be considered by the presenters.

By attending this presentation, you will learn key strategies for:

• Learning robust and reliable screening methods for pesticides in food
• Generating high-quality data
• Keeping up with current and future regulations
• Simplifying workflow solutions

Who Should Attend:

• Laboratory Directors in the food industry

Start times:

• Broadcast #1: 7 February – starting at 10 am GMT (London) / 11 am CET (Paris/Berlin)
• Broadcast #2: 7 February – starting at 10 am PST (Los Angeles) / 12 pm CST (Chicago) / 1 pm EST (New York)

Duration: Approximately 60 minutes

Presenter: Cate Simmermaker (LC/MS Applications Engineer, Agilent Technologies, Inc.)

Cate Simmermaker is an LC/MS application engineer with Agilent Technologies working primarily with high-resolution mass spectrometry in small-molecule analysis. Cate has worked in applications including metabolomics, food safety, and forensics on Q-TOF and QQQ platforms. She completed her PhD in chemistry at the University of the Pacific and received a Master's in biochemistry from San Francisco State University.

Presenter: Christian Klein (LC/Q-TOF Portfolio Product Manager, Agilent Technologies, Inc.)

With an education in chemistry, Chris Klein received his PhD in 2005 at the Max Planck Institute for Biochemistry in Martinsried, Germany. He joined Agilent Technologies in 2010 as the lead chemist in the LC/Q-TOF R&D team. In 2018, Chris joined the marketing team as Portfolio Product Manager, responsible for LC/Q-TOF and ion mobility.