期刊论文详细信息
Bulletin of the Korean chemical society | |
Explaining the Drift Behavior of Caffeine and Glucosamine After Addition of Ethyl Lactate in the Buffer Gas of an Ion Mobility Spectrometer | |
Andres Reyes Velasco1  Herbert H. Hill1  Roberto Fernandez-Maestre1  | |
关键词: Dopants; Ethyl lactate glucosamine; Caffeine; Ion mobility spectrometry; Theoretical calculations; | |
DOI : | |
学科分类:化学(综合) | |
来源: Korean Chemical Society | |
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【 摘 要 】
Protonated caffeine (CH+) and glucosamine (GH+) overlapped in an analysis with ion mobility spectrometryquadrupole mass spectrometry. Ethyl lactate vapor (L) at different concentrations from 0 to 22 mmol m−3 was added as a buffer gas modifier to separate these signals. The drift times of CH+ and GH+ increased with L concentration. The drift time increase was associated to clustering equilibria of CH+ and GH+ with one molecule of L and the equilibrium of GH+ was more displaced to the formation of GLH+ than that of CLH+. GH+ clustered more to L than CH+ because GLH+ formed more stable hydrogen bonds (26.30 kcal/mol) than CLH+ (24.66 kcal/mol) and the positive charge in GH+ was more sterically accessible than in CH+. The aim of this work was to use theoretical calculations to guide the selection of a buffer gas modifier for IMS separations of two compounds that overlap in the mobility spectra and predict this separation, simplifying that empirical process.【 授权许可】
Unknown
【 预 览 】
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RO201912010245088ZK.pdf | 1637KB | ![]() |