Back to Search
Start Over
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
- Source :
- Journal of Agricultural and Food Chemistry, 69(44), 13200-13216, Journal of Agricultural and Food Chemistry 69 (2021) 44
- Publication Year :
- 2021
-
Abstract
- 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
- Subjects :
- 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
Subjects
Details
- Language :
- English
- ISSN :
- 00218561
- Database :
- OpenAIRE
- Journal :
- Journal of Agricultural and Food Chemistry, 69(44), 13200-13216, Journal of Agricultural and Food Chemistry 69 (2021) 44
- Accession number :
- edsair.doi.dedup.....15185a74c356550bd00e0e096d403689