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Integration of machine learning-predicted collision cross sections for the discrimination of flavonol 3-O- and 7-O-glycoside isomers

delete2026-08-09
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PRE
AI
X
Xue‐Chao Song *
X
Xiongyuan Si
T
Ting He
R
Ruidong Zi
Y
Yu Zhou *
杨文志 (Wenzhi Yang)
DOI:10.1016/j.foodchem.2026.150735delete
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Abstract

Abstract

En 中文
• SVM model predicts flavonol CCS with 95% of test set within 3% error. • Predicted CCS values effectively resolve flavonol 3-O- and 7-O-glycoside isomers. • UPLC-IMS-HRMS allows precise discrimination of flavonols at trace levels.
Keywords:
Flavonol
Collision cross section
Ion mobility
Machine learning

Journal

Food Chemistry cover
Food Chemistry
IF:
9.8
Papers:
4.6W
Citations:
24.4W

Organization

A
anhui agricultural university
Scholars:
2.3K
Papers: 529
Citations: 0
T
Tianjin University of Traditional Chinese Medicine
Scholars:
8.8K
Papers: 3.6K
Citations: 5.2K
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