Traceable and Integrated Pesticide Screening (TIPS), a Systematic and Retrospective Strategy for Screening 900 Pesticides and Unknown Metabolites in Tea

Abstract

Pesticide management is a crucial issue for sustainable agriculture and food safety. The high-resolution mass spectrometry (HRMS)-based screening method has become a popular choice to monitor pesticide residues in foods and the environment. Data-independent acquisition (DIA) was the first option allowing for this type of analysis due to the wide compound coverage compared to traditional targeted analysis using triple-quadrupole tandem mass spectrometry (QqQ). However, a higher false-positive detection rate is a critical shortcoming in DIA. To overcome this concern, a rigorous method is needed to determine the reliable information acquired from DIA screening. A systematic strategy, traceable and integrated pesticide screening (TIPS), was proposed in this study to comprehensively monitor pesticides and metabolites in a complex tea matrix, avoiding false-positive detection. A total of 900 pesticides were added to an in-house database and evaluated through precision tests, which showed good repeatability and reproducibility. One hundred pesticides and metabolites were detected and confirmed by TIPS in 98 commercial tea samples. In addition to the authorized pesticides that could be detected in TIPS, chlorfluazuron, diafenthiuron, and tolfenpyrad, which are pesticides not allowed to be used in tea farming, were frequently found in this study. In addition, dinotefuran DN and fenbuconazole metabolites RH-9129 and/or RH-9130 were tentatively identified in the archived data using retrospective analysis. The HRMS-based data in TIPS could be a record platform for tracing novel or emerging contaminants not initially targeted in samples. TIPS, a novel strategy, has great potential for rapidly conducting a risk assessment of unexpected pesticides in food.

“UV-Driven Self-Cleaning” Magnetic Molecularly Imprinted Absorbents Coupled with LTP-MS and LC-TQ-MS for Rapid High-Throughput Screening and Quantification of Organophosphorus Pesticides in Agro-products

“…45 An analyte is considered to be qualitatively detectable when the deviation of its m/z ratio is less than 0.05 Da with a mass resolution higher than 12,000, an intensity threshold of fragment ion is more than 1000, and the signal intensity of the corresponding blank matrix is less than 30%. 46 The in-house database was constructed using 114 pesticides and then imported into the screening software (Table S5). The MRLs of pesticides have been used in many countries to control food safety or security.…”

“…The qualitative screening criteria were constructed according to the SANTE 12682/2019 method validation guideline with slight modifications . An analyte is considered to be qualitatively detectable when the deviation of its m / z ratio is less than 0.05 Da with a mass resolution higher than 12,000, an intensity threshold of fragment ion is more than 1000, and the signal intensity of the corresponding blank matrix is less than 30% . The in-house database was constructed using 114 pesticides and then imported into the screening software (Table S5).…”

SAM–SFM: High-Efficiency and High-Resolution Tandem Mass Spectrometry Enabled by Sinusoidal Amplitude Modulation of Multiple Sinusoidal Frequency-Modulated Waveforms

“…Mass spectrometry, as an analytical method, holds the ability to accurately determine the composition and molecular structures of substances, and it finds extensive applications in fields such as chemistry and biological analysis. − Much like the developmental trajectories of personal computers and smartphones, mass spectrometers are progressing toward miniaturization and increased intelligence. In recent years, miniature ion trap mass spectrometry has garnered significant attention owing to its compact form factor, elevated operational pressure, and user-friendly attributes.…”

Fungicide Metabolite MS2 Spectral Libraries for Comprehensive Human Biomonitoring

“…HRMS approaches are gaining wider adoption in pesticide and fungicide screening 13 and have been successfully applied in various samples including water, 14 soil, 15 produce, 16 tea, 17 and baby food. 18 We selected 32 fungicides used in Japan based on reports of detected residues in >3% of tested food samples, shipment amount, 20 and EDI/ADI > 30% in children.…”

“…HRMS approaches are gaining wider adoption in pesticide and fungicide screening and have been successfully applied in various samples including water, soil, produce, tea, and baby food . We selected 32 fungicides used in Japan based on reports of detected residues in >3% of tested food samples, shipment amount, and EDI/ADI > 30% in children. , Fungicide urinary metabolites in urine were obtained by administering fungicide chemical standards to mice followed by LC–HRMS measurements .…”