Multilaboratory Collaborative Study of a Nontarget Data Acquisition for Target Analysis (nDATA) Workflow Using Liquid Chromatography-High-Resolution Accurate Mass Spectrometry for Pesticide Screening in Fruits and Vegetables.

Autor: Wong JW; Center for Food Safety and Applied Nutrition, U.S. Food and Drug Administration, 5001 Campus Drive, College Park, Maryland 20740, United States., Wang J; Calgary Laboratory, Canadian Food Inspection Agency, 3650 36th Street Northwest, Calgary, Alberta T2L 2L1, Canada., Chang JS; ThermoFisher Scientific, 355 River Oaks Parkway, San Jose, California 95134, United States.; Institute of Food Science and Technology, National Taiwan University, Taipei City 10617, Taiwan., Chow W; Calgary Laboratory, Canadian Food Inspection Agency, 3650 36th Street Northwest, Calgary, Alberta T2L 2L1, Canada., Carlson R; Center for Analytical Chemistry, California Department of Food and Agriculture, 3292 Meadowview Road, Sacramento, California 95832, United States., Rajski Ł; European Union Reference Laboratory for Pesticide Residues in Fruits and Vegetables, University of Almería, Agrifood Campus of International Excellence (ceiA3), Ctra. Sacramento S/N, La Cañada de San Urbano, 40120 Almería, Spain., Fernández-Alba AR; European Union Reference Laboratory for Pesticide Residues in Fruits and Vegetables, University of Almería, Agrifood Campus of International Excellence (ceiA3), Ctra. Sacramento S/N, La Cañada de San Urbano, 40120 Almería, Spain., Self R; Pacific Northwest Laboratory, Office of Regulatory Affairs, U.S. Food and Drug Administration, 22201 23rd Drive SE, Bothell, Washington 98021, United States., Cooke WK; Pacific Northwest Laboratory, Office of Regulatory Affairs, U.S. Food and Drug Administration, 22201 23rd Drive SE, Bothell, Washington 98021, United States., Lock CM; Pacific Northwest Laboratory, Office of Regulatory Affairs, U.S. Food and Drug Administration, 22201 23rd Drive SE, Bothell, Washington 98021, United States., Mercer GE; Pacific Northwest Laboratory, Office of Regulatory Affairs, U.S. Food and Drug Administration, 22201 23rd Drive SE, Bothell, Washington 98021, United States., Mastovska K; Eurofins Food Chemistry Testing, 6304 Ronald Reagan Avenue, Madison, Wisconsin 53704, United States., Schmitz J; Eurofins Food Chemistry Testing, 6304 Ronald Reagan Avenue, Madison, Wisconsin 53704, United States., Vaclavik L; Eurofins Food Chemistry Testing, 6304 Ronald Reagan Avenue, Madison, Wisconsin 53704, United States., Li L; Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, New York 12237, United States., Panawennage D; Wadsworth Center, New York State Department of Health, Empire State Plaza, Albany, New York 12237, United States., Pang GF; Chinese Academy of Inspection and Quarantine, No. 11 Ronghua Nanlu, Beijing Economic Technological Development Area, Beijing 100176, People's Republic of China., Zhou H; National Medical Products Administration Key Laboratory for Quality Control of Traditional Chinese Medicine, Shanghai Institute for Food and Drug Control, 1500 Zhangheng Road, Shanghai 201203, People's Republic of China., Miao S; National Medical Products Administration Key Laboratory for Quality Control of Traditional Chinese Medicine, Shanghai Institute for Food and Drug Control, 1500 Zhangheng Road, Shanghai 201203, People's Republic of China., Ho C; Government Laboratory, Analytical and Advisory Services Division, 7/F, Ho Man Tin Government Offices, 88 Chung Hau Street, Ho Man Tin, Kowloon, Hong Kong Special Administrative Region, People's Republic of China., Lam TC; Government Laboratory, Analytical and Advisory Services Division, 7/F, Ho Man Tin Government Offices, 88 Chung Hau Street, Ho Man Tin, Kowloon, Hong Kong Special Administrative Region, People's Republic of China., To YS; Government Laboratory, Analytical and Advisory Services Division, 7/F, Ho Man Tin Government Offices, 88 Chung Hau Street, Ho Man Tin, Kowloon, Hong Kong Special Administrative Region, People's Republic of China., Zomer P; Wageningen Food Safety Research, Wageningen University and Research, P.O. Box 230, 6708 AE Wageningen, The Netherlands., Hung YC; Division of Research and Analysis, Taiwan Food and Drug Administration, 161-2 Kunyang Street, Nangang, Taipei 11561, Taiwan., Lin SW; Division of Research and Analysis, Taiwan Food and Drug Administration, 161-2 Kunyang Street, Nangang, Taipei 11561, Taiwan., Liao CD; Division of Research and Analysis, Taiwan Food and Drug Administration, 161-2 Kunyang Street, Nangang, Taipei 11561, Taiwan., Culberson D; North Carolina Department of Agriculture and Consumer Services, 4000 Reedy Creek Road, Raleigh, North Carolina 27607, United States., Taylor T; Analytical Chemistry Laboratory, Office of Pesticide Programs, US Environmental Protection Agency, 701 Mapes Road, Ft. Meade, Maryland 20755-5350, United States., Wu Y; National Centre for Food Science, Singapore Food Agency, 10 Perahu Road, Singapore 718837., Yu D; National Centre for Food Science, Singapore Food Agency, 10 Perahu Road, Singapore 718837., Lim PL; National Centre for Food Science, Singapore Food Agency, 10 Perahu Road, Singapore 718837., Wu Q; National Centre for Food Science, Singapore Food Agency, 10 Perahu Road, Singapore 718837., Schirlé-Keller JX; Laboratory Services Division, Minnesota Department of Agriculture, 601 North Robert Street, St. Paul, Minnesota 55155-2531, United States., Williams SM; Laboratory Services Division, Minnesota Department of Agriculture, 601 North Robert Street, St. Paul, Minnesota 55155-2531, United States., Johnson YS; Laboratory Services Division, Minnesota Department of Agriculture, 601 North Robert Street, St. Paul, Minnesota 55155-2531, United States., Nason SL; Connecticut Agricultural Experiment Station, 123 Huntington Street, New Haven, Connecticut 06511, United States., Ammirata M; Connecticut Agricultural Experiment Station, 123 Huntington Street, New Haven, Connecticut 06511, United States., Eitzer BD; Connecticut Agricultural Experiment Station, 123 Huntington Street, New Haven, Connecticut 06511, United States., Willis M; Virginia Division of Consolidated Laboratory Services, 600 5th Street, Richmond, Virginia 23219, United States., Wyatt S; Virginia Division of Consolidated Laboratory Services, 600 5th Street, Richmond, Virginia 23219, United States., Kwon S; Pesticide Laboratories at the Office of Indiana State Chemist, 175 South University Street, West Lafayette, Indiana 47907, United States., Udawatte N; Pesticide Laboratories at the Office of Indiana State Chemist, 175 South University Street, West Lafayette, Indiana 47907, United States., Priyasantha K; Pesticide Laboratories at the Office of Indiana State Chemist, 175 South University Street, West Lafayette, Indiana 47907, United States., Wan P; Pesticide Laboratories at the Office of Indiana State Chemist, 175 South University Street, West Lafayette, Indiana 47907, United States., Filigenzi MS; California Animal Health and Food Safety Laboratory, University of California, Davis, 620 West Health Sciences Drive, Davis, California 95616, United States., Bakota EL; Kansas City Laboratory, Office of Regulatory Affairs, U.S. Food and Drug Administration, 11510 West 80th Street, Lenexa, Kansas 66214, United States., Sumarah MW; Agriculture and Agri-Food Canada, 1391 Sandford Street, London, Ontario N5V 4T3, Canada., Renaud JB; Agriculture and Agri-Food Canada, 1391 Sandford Street, London, Ontario N5V 4T3, Canada., Parinet J; Laboratory for Food Safety, ANSES, Université Paris-Est, F-94701 Maisons-Alfort, France., Biré R; Laboratory for Food Safety, ANSES, Université Paris-Est, F-94701 Maisons-Alfort, France., Hort V; Laboratory for Food Safety, ANSES, Université Paris-Est, F-94701 Maisons-Alfort, France., Prakash S; OMIC USA Inc., 3344 Northwest Industrial Street, Portland, Oregon 97210, United States., Conway M; OMIC USA Inc., 3344 Northwest Industrial Street, Portland, Oregon 97210, United States., Pyke JS; Agilent Technologies Inc., 5301 Stevens Creek Boulevard, Santa Clara, California 95051, United States., Yang DD; Agilent Technologies Inc., 5301 Stevens Creek Boulevard, Santa Clara, California 95051, United States., Jia W; School of Food and Biological Engineering, Shaanxi University of Science and Technology, Xi'an 710021, People's Republic of China., Zhang K; Center for Food Safety and Applied Nutrition, U.S. Food and Drug Administration, 5001 Campus Drive, College Park, Maryland 20740, United States., Hayward DG; Center for Food Safety and Applied Nutrition, U.S. Food and Drug Administration, 5001 Campus Drive, College Park, Maryland 20740, United States.
Jazyk: angličtina
Zdroj: Journal of agricultural and food chemistry [J Agric Food Chem] 2021 Nov 10; Vol. 69 (44), pp. 13200-13216. Date of Electronic Publication: 2021 Oct 28.
DOI: 10.1021/acs.jafc.1c04437
Abstrakt: Nontarget data acquisition for target analysis (nDATA) workflows using liquid chromatography-high-resolution accurate mass (LC-HRAM) spectrometry, spectral screening software, and a compound database have generated interest because of their potential for screening of pesticides in foods. However, these procedures and particularly the instrument processing software need to be thoroughly evaluated before implementation in routine analysis. In this work, 25 laboratories participated in a collaborative study to evaluate an nDATA workflow on high moisture produce (apple, banana, broccoli, carrot, grape, lettuce, orange, potato, strawberry, and tomato). Samples were extracted in each laboratory by quick, easy, cheap, effective, rugged, and safe (QuEChERS), and data were acquired by ultrahigh-performance liquid chromatography (UHPLC) coupled to a high-resolution quadrupole Orbitrap (QOrbitrap) or quadrupole time-of-flight (QTOF) mass spectrometer operating in full-scan mass spectrometry (MS) data-independent tandem mass spectrometry (LC-FS MS/DIA MS/MS) acquisition mode. The nDATA workflow was evaluated using a restricted compound database with 51 pesticides and vendor processing software. Pesticide identifications were determined by retention time ( t R , ±0.5 min relative to the reference retention times used in the compound database) and mass errors (δ M ) of the precursor (RTP, δ M ≤ ±5 ppm) and product ions (RTPI, δ M ≤ ±10 ppm). The elution profiles of all 51 pesticides were within ±0.5 min among 24 of the participating laboratories. Successful screening was determined by false positive and false negative rates of <5% in unfortified (pesticide-free) and fortified (10 and 100 μg/kg) produce matrices. Pesticide responses were dependent on the pesticide, matrix, and instrument. The false negative rates were 0.7 and 0.1% at 10 and 100 μg/kg, respectively, and the false positive rate was 1.1% from results of the participating LC-HRAM platforms. Further evaluation was achieved by providing produce samples spiked with pesticides at concentrations blinded to the laboratories. Twenty-two of the 25 laboratories were successful in identifying all fortified pesticides (0-7 pesticides ranging from 5 to 50 μg/kg) for each produce sample (99.7% detection rate). These studies provide convincing evidence that the nDATA comprehensive approach broadens the screening capabilities of pesticide analyses and provide a platform with the potential to be easily extended to a larger number of other chemical residues and contaminants in foods.
Databáze: MEDLINE