2019 AOAC Annual Meeting - Preliminary Program

TUESDAY, SEPTEMBER 10, 2019 8:15 am – 9:45 am Applying Non-Target Data Acquisition for Target Analysis (nDATA) of Organic Contaminants and Biomarkers in Environmental and Food Samples Environmental and food chemists have been challenged by an increasing number of existing and new contaminants of concern (COCs). The COCs may act as markers for the authentication of food and may represent risks to the environment and food safety. As knowledge gaps in analytical and toxicity data narrow, contaminants considered as benign today may become a COC tomorrow. The ability to preserve information on contaminants in samples collected from various surveys and studies has been desirable, with the sample storage and re-analysis remaining a challenge. Non-target mass spectrometric data acquisition has seen significant advancements since its introduction in 2004 (Venable, J.C., Dong, M., Wohlschlegel, J., Dillin, A. & Yates, J.R. (2004) Nat. Methods 1, 39-45). Combining the availabil- ity of moderately-priced high-resolution mass spectrometers (HRMS) with powerful computer hardware and data processing algorithm, the non-target data acquisition for target analysis (nDATA) has become the tool of choice for COC analyses in environmental and food samples. Both quantitative and qual- itative information of known, new COCs and markers can be collected with one single HRMS data acquisition for all ionized compounds. Therefore, qualitative and quantitative data of targeted COCs/markers can be acquired to develop current spatial and temporal trends, while retrospective analysis of newly established COCs and markers can provide information on the typical background concentration and to facilitate the design and workload of new studies. This session will describe current nDATA workflows and protocols for food and environmental samples and possible future developments. Co-Chair : Paul Yang, Ministry Environment, Conservation, Parks Co-Chair : Mark Sumarah, Agriculture and Agri-Food Canada Jon Wong, U.S. Food and Drug Administration A Three Laboratory Study Utilizing nDATA (Non-Target Data Acquisition Target Analysis) Workflow for Multiresidue Pesticide Screening by Ultra-High Performance Liquid Chromatography-Quadrupole Orbitrap Mass Spectrometry with a Compound Database William Cooke, U.S. Food and Drug Administration Scanning Quadrupole Data Independent Acquisition (sqDIA): Improved Selectivity for Food Contaminant Analysis Francis Beaudry, University of Montreal Untargeted Mass Spectrometry Data Acquisition - An Emerging Approach to Detect Gelatin Adulteration Based on Targeted Proteotypic Peptides Amadeo Fernandez-Alba, University of Almería Mass Spectrometry with Non Target Acquisition Followed by Data Treatment as a Powerful Approach for Investigating Contaminants in Food: Cases of Study

Non-Targeted Testing for Food Authenticity: Ideas, Challenges, Requirements In the past years awareness has grown that food fraud and economically motivated adulteration is happening anywhere in the world and affects many different commodities. Traditionally, chemical analysis focused on one or several target analytes. The downside of that approach is, that targeted analysis can be bypassed by fraudsters relatively easily. Newer approaches use non-targeted testing, acquired for example with IR spec- trometers, NMR spectrometer, mass spectrometers or molecular methods like Next Generation Sequencing. These methods are very powerful and much harder to circumvent than the targeted analyses. However, they often rely on a set of samples that are believed to be authentic. The problem is, that even the best analytical non-targeted method fails if the set of data it is based on contains non-authentic samples. Trust alone is not sufficient to ensure authenticity. A compre- hensive authentication process needs to be established. Such a process should start as early as possible, preferably already at the point of harvest by visual inspection. However, that will not always be possible. Additional means for authentication have to be applied, like “traditional” targeted methods, e.g. for general quality parameters or for adulteration markers (for example carbon isotope ratios). In this session speakers will share their experience in the field of building databases for authenticity testing using non-tar- geted analysis, the prerequisites and also obstacles in real life. Furthermore, we will hear about standardization approaches and also requirements from authority’s point of view. Co-Chair : Arne Duebecke, Tentamus Center Food Fraud Co-Chair : Dana Krueger, Krueger Food Laboratories, Inc. Peter Rinke, SGF International e.V. I Sure – Global – Fair Establishment of a Regional Specific Database for Fruit Juice Authentication using the Synergy with the Voluntary Control System of SGF International e.V. Arne Duebecke, Tentamus Center for Food Fraud Assuring Authenticity of Samples for a Honey Reference Database Kenny Xie, U.S. Pharmacopeia (USP) Use of Standard Methods and Materials in Developing Non-Targeted Methods Requirements for STEC methods vary considerably in each region of the globe. Some requirements have been established on the O-groups as significant for foods that have been impli- cated in regional food outbreaks. Some differences are based on the regulations and methods established for use on specific foods in that region or country (e.g. US FDA, USDA/ FSIS) In this Symposium attendees will: • Gain a greater appreciate of the complexity of global STEC methods requirements based on different regulations The Complexity of Validating STEC Methods to Address Varying Global Needs

20 SEPTEMBER 6–12, 2019 SHERATON DENVER DOWNTOWN HOTEL