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: | Poh Leong Lim, James Pyke, Julien Parinet, Willis Chow, Heng Zhou, Nayane Udawatte, Deepika Panawennage, Douglas G. Hayward, Yoko S Johnson, Ronel Biré, Randy L. Self, Michael Conway, Erica L. Bakota, Shu-Wei Lin, Wei Jia, Danny Culberson, Dingyi Yu, Vincent Hort, Chia-Ding Liao, Paul Zomer, Yu-Ching Hung, Brian D. Eitzer, Christopher M. Lock, James S. Chang, Michael S. Filigenzi, Amadeo R. Fernández-Alba, John Schmitz, Guo-Fang Pang, Jon W. Wong, Sheldon M Williams, Lukas Vaclavik, Katerina Mastovska, Yuansheng Wu, Justin B. Renaud, Clare Ho, William K Cooke, SoYoung Kwon, Ping Wan, Kai Zhang, Shane Wyatt, Łukasz Rajski, Sara L. Nason, Qiong Wu, Mark W. Sumarah, Gregory E Mercer, Shristi Prakash, Shui Miao, Lingyun Li, Tameka Taylor, Michael Ammirata, Jean-Paul X Schirlé-Keller, Michelle Willis, Tony Chong-Ho Lam, Dan-Hui Dorothy Yang, Jian Wang, Kandalama Priyasantha, Yim-Bun Sze To, Roland Carlson |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
quadrupole time-of-flight (QTOF)
liquid chromatography-high-resolution accurate mass (LC-HRAM) spectrometry BU Contaminanten & Toxines Food Contamination easy rugged Tandem mass spectrometry Orbitrap Mass spectrometry Quechers Workflow law.invention BU Contaminants & Toxins data-independent acquisition (DIA) Tandem Mass Spectrometry law Vegetables effective quick Chromatography High Pressure Liquid quadrupole Orbitrap (QOrbitrap) Chromatography Elution Pesticide Residues General Chemistry pesticides Pesticide Contamination Team Pesticides 2 nontarget data acquisition for target analysis (nDATA) cheap Fruit Environmental science safe (QuEChERS) False positive rate General Agricultural and Biological Sciences Chromatography Liquid |
| Zdroj: | Journal of Agricultural and Food Chemistry, 69(44), 13200-13216 Journal of Agricultural and Food Chemistry 69 (2021) 44 |
| ISSN: | 0021-8561 |
| Popis: | 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 (tR, ±0.5 min relative to the reference retention times used in the compound database) and mass errors (δM) of the precursor (RTP, δM ≤ ±5 ppm) and product ions (RTPI, δM ≤ ±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 |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|