Multilaboratory Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Ultrahigh-Performance Liquid Chromatography-High-Resolution Mass Spectrometry for the Screening of 1087 Pesticides in Fresh Fruits and Vegetables

Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 28, 2025

A nontarget Data Acquisition for Target Analysis (nDATA) workflow was developed to screen pesticides in fresh produce based on ultrahigh-performance liquid chromatography-high-resolution full scan mass spectrometry/variable data-independent tandem spectrometry acquisition (LC-FS MS/vDIA MSMS) and a pesticide database. The MSMS spectral library generated create database consisting of 1087 authentic standards. retention time (±0.5 min), precursor ion (≤± 5 ppm), product ions ppm) were extracted each from LC-FS MS/data-dependent MS/DDA MSMS). Mass accuracy criteria, along with ±0.1 min tolerance, used the identification pesticides. Three laboratories evaluated validated nDATA identify extracts (apples, bananas, broccoli, carrots, grapes, lettuce, oranges, potatoes, strawberry, tomatoes) prepared by Quick, Easy, Cheap, Effective, Rugged, Safe (QuEChERS) procedure. Of evaluated, false-positive rates ≤5% 977 blank matrices false-negative 921 985 fortified at 10 100 μg/kg, respectively. False positives detected misidentified pesticides, incurred residues, or contaminants possibly resulting process system contamination below threshold level μg/kg. negatives attributed that did not sufficiently ionize fragment had poor stabilities QuEChERS extraction efficiencies. Incurred residues archived samples (apple, Chinese grape, kale, kohlrabi, orange, pepper, tomato, turnip green) using QuEChERS, workflow, results compared confirmed, if possible, targeted GC-MS/MS, LC-MS/MS, methods. three identified 25 parent levels >10 μg/kg consistent findings procedures discovered different metabolites provided multiple reaction monitoring method inclusion list procedures. GC-MS/MS two chlorothalonil dacthal, possible metabolite, pentachlorobenzonitrile, amenable LC-low LC-high-resolution analysis samples. To improve quality, further implemented quality control, operational, processing measures reduce number false detects, data evaluation workload. As demonstrated this study, creates new opportunities chemical analysis, offering potential screening complement nontargeted methods other interest.

Language: Английский

Definition and strategy of intelligent foodomics for diagnosis and identification of hazards and pathogens in food-borne diseases

Trends in Food Science & Technology, Journal Year: 2025, Volume and Issue: unknown, P. 104994 - 104994

Published: April 1, 2025

Language: Английский

Recent developments and workflows of non-targeted LC-HRMS screening in the detection of veterinary drug residues in foods

TrAC Trends in Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 118314 - 118314

Published: May 1, 2025

Language: Английский