Revealing the differences in collision cross section values of small organic molecules acquired by different instrumental designs and prediction models

Analytica Chimica Acta(2022)

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摘要
The number of open access databases containing experimental and predicted collision cross section (CCS) values is rising and leads to their increased use for compound identification. However, the reproducibility of reference values with different instrumental designs and the comparison between predicted and experimental CCS values is still under evaluation.
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关键词
Travelling wave ion mobility separation,Drift tube ion mobility separation,Compounds of emerging concern,Quality assurance guidelines,CCS comparison,CCS database
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