Standard substances free quantification makes LC/ESI/MS non-targeted screening of pesticides in cereals comparable between labs

Tingting Wang; Jaanus Liigand; Henrik Lauritz Frandsen; Jørn Smedsgaard; Anneli Kruve

doi:10.1016/j.foodchem.2020.126460

Standard substances free quantification makes LC/ESI/MS non-targeted screening of pesticides in cereals comparable between labs

Tingting Wang, Jaanus Liigand, Henrik Lauritz Frandsen, Jørn Smedsgaard, Anneli Kruve^*

^*Corresponding author for this work

University of Tartu

Research output: Contribution to journal › Journal article › Research › peer-review

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Abstract

LC/ESI/MS is the technique of choice for qualitative and quantitative food monitoring; however, analysis of a large number of compounds is challenged by the availability of standard substances. The impediment of detection of food contaminants has been overcome by the suspect and non-targeted screening. Still, the results from one laboratory cannot be compared with the results of another laboratory as quantitative results are required for this purpose. Here we show that the results of the suspect and non-targeted screening for pesticides can be made quantitative with the aid of in silico predicted electrospray ionization efficiencies and this allows direct comparison of the results obtained in two different laboratories. For this purpose, six cereal matrices were spiked with 134 pesticides and analysed in two independent labs; a high correlation for the results with the R² of 0.85.

Original language	English
Article number	126460
Journal	Food Chemistry
Volume	318
Number of pages	7
ISSN	0308-8146
DOIs	https://doi.org/10.1016/j.foodchem.2020.126460
Publication status	Published - 2020

Keywords

Quantification without standards
Pesticides
LC/ESI/MS
Food monitoring
Cereal

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title = "Standard substances free quantification makes LC/ESI/MS non-targeted screening of pesticides in cereals comparable between labs",

abstract = "LC/ESI/MS is the technique of choice for qualitative and quantitative food monitoring; however, analysis of a large number of compounds is challenged by the availability of standard substances. The impediment of detection of food contaminants has been overcome by the suspect and non-targeted screening. Still, the results from one laboratory cannot be compared with the results of another laboratory as quantitative results are required for this purpose. Here we show that the results of the suspect and non-targeted screening for pesticides can be made quantitative with the aid of in silico predicted electrospray ionization efficiencies and this allows direct comparison of the results obtained in two different laboratories. For this purpose, six cereal matrices were spiked with 134 pesticides and analysed in two independent labs; a high correlation for the results with the R2 of 0.85.",

keywords = "Quantification without standards, Pesticides, LC/ESI/MS, Food monitoring, Cereal",

author = "Tingting Wang and Jaanus Liigand and Frandsen, {Henrik Lauritz} and J{\o}rn Smedsgaard and Anneli Kruve",

year = "2020",

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volume = "318",

journal = "Food Chemistry",

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T1 - Standard substances free quantification makes LC/ESI/MS non-targeted screening of pesticides in cereals comparable between labs

AU - Wang, Tingting

AU - Liigand, Jaanus

AU - Frandsen, Henrik Lauritz

AU - Smedsgaard, Jørn

AU - Kruve, Anneli

PY - 2020

Y1 - 2020

N2 - LC/ESI/MS is the technique of choice for qualitative and quantitative food monitoring; however, analysis of a large number of compounds is challenged by the availability of standard substances. The impediment of detection of food contaminants has been overcome by the suspect and non-targeted screening. Still, the results from one laboratory cannot be compared with the results of another laboratory as quantitative results are required for this purpose. Here we show that the results of the suspect and non-targeted screening for pesticides can be made quantitative with the aid of in silico predicted electrospray ionization efficiencies and this allows direct comparison of the results obtained in two different laboratories. For this purpose, six cereal matrices were spiked with 134 pesticides and analysed in two independent labs; a high correlation for the results with the R2 of 0.85.

AB - LC/ESI/MS is the technique of choice for qualitative and quantitative food monitoring; however, analysis of a large number of compounds is challenged by the availability of standard substances. The impediment of detection of food contaminants has been overcome by the suspect and non-targeted screening. Still, the results from one laboratory cannot be compared with the results of another laboratory as quantitative results are required for this purpose. Here we show that the results of the suspect and non-targeted screening for pesticides can be made quantitative with the aid of in silico predicted electrospray ionization efficiencies and this allows direct comparison of the results obtained in two different laboratories. For this purpose, six cereal matrices were spiked with 134 pesticides and analysed in two independent labs; a high correlation for the results with the R2 of 0.85.

KW - Quantification without standards

KW - Pesticides

KW - LC/ESI/MS

KW - Food monitoring

KW - Cereal

U2 - 10.1016/j.foodchem.2020.126460

DO - 10.1016/j.foodchem.2020.126460

M3 - Journal article

C2 - 32114258

SN - 0308-8146

VL - 318

JO - Food Chemistry

JF - Food Chemistry

M1 - 126460

ER -

Standard substances free quantification makes LC/ESI/MS non-targeted screening of pesticides in cereals comparable between labs

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