Simple HRMS Data Review Using Workflows, Views, and Filters Within a Novel Integrated Scientific Information System

Multi-analyte screening methodologies are essential for monitoring food and environmental samples across the globe. The goal of these methods is to eliminate compliant samples and to identify non-compliant samples for subsequent confirmation and quantification. Sensitivity must be in line with the relevant regulatory limits in complex matrices. Also, a method must be validated in accordance with legislative requirements. This method would ideally be rapid, cost effective, and contain a streamlined process, from sample preparation to reporting results. Many laboratories are progressing towards High-Resolution Mass Spectrometry (HRMS) techniques that, in theory, can screen for an unlimited number of targets at the same time as providing information on unknown compounds or metabolites of interest. In this technical note, we demonstrate the ease of use and efficacy of a non-targeted, data independent, analysis type (MS^E and HDMS^E), coupled with UNIFI, a state-of-the-art scientific information system, for multi-analyte screening in food and environmental samples. This technical note will also serve as a primer to a series of documents involving authentic sample analyses. Here, we focus on the introduction of a novel technique where a user in a routine environment can customize data review within the UNIFI Scientific Information System to establish a concise, rapid, simple, and consistent approach to reviewing HRMS data.