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/zranges, 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 (r2 ≥ 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.
… 2. Experimental. 2.1. Materials and chemical reagents. Reference
substances of
(+)-catechin,
procyanidin A1,
procyanidin A2,
procyanidin
A4,
procyanidin B3, and
procyanidin C1 were purchased from Chengdu
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