Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs

Abstract

The importance of animal welfare and the organic production of chicken eggs has increased in the European Union in recent years. Legal regulation for organic husbandry makes the production of organic chicken eggs more expensive compared to conventional husbandry and thus increases the risk of food fraud. Therefore, the aim of this study was to develop a non-targeted lipidomic LC-ESI-IM-qToF-MS method based on 270 egg samples, which achieved a classification accuracy of 96.3%. Subsequently, surrogate minimal depth (SMD) was applied to select important variables identified as carotenoids and lipids based on their MS/MS spectra. The LC-MS results were compared with FT-NIR spectroscopy analysis as a low-resolution screening method and achieved 80.0% accuracy. Here, SMD selected parts of the spectrum which are associated with lipids and proteins. Furthermore, we used SMD for low-level data fusion to analyze relations between the variables of the LC-MS and the FT-NIR spectroscopy datasets. Thereby, lipid-associated bands of the FT-NIR spectrum were related to the identified lipids from the LC-MS analysis, demonstrating that FT-NIR spectroscopy partially provides similar information about the lipidome. In future applications, eggs can therefore be analyzed with FT-NIR spectroscopy to identify conspicuous samples that can subsequently be counter-tested by mass spectrometry.

SERS microscopy as a tool for comprehensive biochemical characterization in complex samples

“…based on nuclear magnetic resonance (NMR) 177 and liquid chromatography–mass spectrometry (LC–MS) data, 178,179 and to analyze relationships between mass spectrometric and spectral variables. 180 Used on SERS data, the mean adjusted agreement additionally enables the analysis of co-occurring signals (Fig. 6(B)), which translates to the possibility of identifying different molecules that are located in the same nanoscopic volume in a SERS experiment.…”

Application of Data Fusion in Traditional Chinese Medicine: A Review

“…Mid-level fusion feature information should be considered when dealing with data information of high complexity to reduce variables and shorten the calculation time. The mid-level fusion technique is also commonly used in the quality evaluation and origin traceability of food products [ 24 , 25 ], where spectroscopy and mass spectrometry data are fused for analysis [ 26 ].…”

Authentication of Laying Hen Housing Systems Based on Egg Yolk Using 1H NMR Spectroscopy and Machine Learning

“…The OPLS-DA and SVM models showed accuracies between 77 and 96% and 80 and 97%, respectively, depending on the class [12]. Furthermore, Lösel et al [13] analyzed 270 eggs from conventional and organic systems with LC-ESI-IM-qTOF-MS and FT-IR spectroscopy in combination with a random forest (RF) calculation and reported an accuracy of 96.3%. Kopec and Abramczyk [14] showed a PLS-DA model based on Raman spectra of 40 eggs from cage, barn, free-range, and organic systems with a sensitivity and specificity of validation between 0.897 and 1.0.…”