A modified data filtering strategy for targeted characterization of polymers in complex matrixes using drift tube ion mobility-mass spectrometry: Application to analysis of procyanidins in the grape seed extracts. (15th August 2020)

• Record Type: Journal Article
• Authors: Li, Meng-Ning; Wang, Hui-Ying; Wang, Rui; Li, Chao-Ran; Shen, Bing-Qing; Gao, Wen; Li, Ping; Yang, Hua
• Is Part Of: Food chemistry. Volume 321(2020)
• Publication Date: 2020-08-15
• Subjects: Collision cross-section -- Drift time -- Grape seed extracts -- Ion mobility mass spectrometry -- Procyanidin polymers; Food -- Analysis -- Periodicals; Food -- Composition -- Periodicals; 664
• DOI: 10.1016/j.foodchem.2020.126693
• Languages: English
• ISSNs: 0308-8146

Abstract

Highlights: A modified mass defect filtering strategy with four detailed steps was developed. The strategy was applied to analysis procyanidins in grape seed extracts with IM-MS. Collision cross-sections of 769 procyanidin ions were measured at single field. The trendlines of procyanidin ions were predicted using multi-model regression. The tendency of collision cross-sections with various factors was discussed. Abstract: Backgrounds: Polymers, widely existing in food or dietary materials, have been attracting researchers, facing challenges, and needing effective strategies on targeted characterization in complex matrixes. Methods: A modified data filtering strategy (including locating with drift time and m / z ranges, multiple mass defect filtering, validating MS information, and evaluating MS/MS spectra) was developed and applied for procyanidins in the grape seed extracts (GSE) using drift tube ion mobility-mass spectrometry. The procyanidin ions' trendlines were predicted by multi-model regression. Their collision cross-sections (CCSs) were calculated using single-field methods. Results and discussion: Totally, 769 CCSs belonging to 686 procyanidins with polymer degrees at 1–15 were characterized. The exponent regression was the most reasonable model ( r 2 ≥ 0.9379) to reveal the trendlines. The change tendency of CCSs with their polymer degrees, charge states, and linkage types were investigated. Conclusion: This study provided an innovative strategy for targeted characterization of polymers in complex matrixes.