التفاصيل البيبلوغرافية
| العنوان: |
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 |
| المؤلفون: |
Jon W. Wong (1525465), Jian Wang (5901), James S. Chang (1525477), Willis Chow (3617162), Roland Carlson (5737409), Łukasz Rajski (11619989), Amadeo R. Fernández-Alba (2085646), Randy Self (11619992), William K. Cooke (11619995), Christopher M. Lock (11619998), Gregory E. Mercer (11620001), Katerina Mastovska (1560127), John Schmitz (272051), Lukas Vaclavik (1956445), Lingyun Li (142918), Deepika Panawennage (11620004), Guo-Fang Pang (11620007), Heng Zhou (287510), Shui Miao (767459), Clare Ho (11620010), Tony Chong-Ho Lam (11620013), Yim-Bun Sze To (11620016), Paul Zomer (805308), Yu-Ching Hung (11620019), Shu-Wei Lin (1675612), Chia-Ding Liao (1525459), Danny Culberson (11620022), Tameka Taylor (11620025), Yuansheng Wu (5056190), Dingyi Yu (2413507), Poh Leong Lim (11620028), Qiong Wu (84327), Jean-Paul X. Schirlé-Keller (11620031), Sheldon M. Williams (11620034), Yoko S. Johnson (11620037), Sara L. Nason (1430674), Michael Ammirata (11620040), Brian D. Eitzer (155309), Michelle Willis (11620043), Shane Wyatt (11620046), SoYoung Kwon (11620049), Nayane Udawatte (2144107), Kandalama Priyasantha (11620052), Ping Wan (48166), Michael S. Filigenzi (2495755), Erica L. Bakota (1460500), Mark W. Sumarah (1422637), Justin B. Renaud (1422631), Julien Parinet (1497004), Ronel Biré (11620055), Vincent Hort (11620058), Shristi Prakash (11620061), Michael Conway (9085190), James S. Pyke (531541), Dan-Hui Dorothy Yang (11620064), Wei Jia (136607), Kai Zhang (102844), Douglas G. Hayward (1525468) |
| سنة النشر: |
2021 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biochemistry, Biotechnology, Ecology, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, vendor processing software, performance liquid chromatography, resolution accurate mass, mass spectrometer operating, false negative rates, retention time (<, resolution quadrupole orbitrap, detection rate ), false positive rate, within ± 0, spectral screening software, restricted compound database, multilaboratory collaborative study, 5 min relative, scan mass spectrometry, nontarget data acquisition, 25 laboratories participated, high moisture produce, ), false positive, quadrupole time, compound database, collaborative study, mass errors |
| الوصف: |
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 ... |
| نوع الوثيقة: |
dataset |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/dataset/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/16899701 |
| DOI: |
10.1021/acs.jafc.1c04437.s006 |
| الاتاحة: |
https://doi.org/10.1021/acs.jafc.1c04437.s006 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.21C33EF9 |
| قاعدة البيانات: |
BASE |