| 英文摘要 |
"Rapid characterization of chemical analogues in potentially toxic complex matrix was essential for prevention ofaccidental poisoning. On the basis of the fragment ions possessed not only the same retention times (RT) but the samedrift times (DT) on liquid chromatography-ion mobility-mass spectrometry (LC-IM-MS), an alternating frames (AF)-dataindependent acquisition (DIA) was utilized for simultaneous detection and rapid match of precursor/product ions with afast switch of low/high collision energy (CE). A diagnostic ions guided 2D-locating strategy was developed for identificationof chemical analogues in potentially toxic herbal medicines using LC-IM-MS. Firstly, the 2D-locations (RT, DT)of diagnostic ions were screened from high-fragment IM-MS frames according to their m/z. Then, the correlated precursorions were extracted from the complex background interference in low-fragment IM-MS frames based on diagnosticions' 2D-locations. Finally, the remained ions were characterized using double-bond equivalent analysiscombined with MS/MS fragment interpretation. Totally, 236 diterpene alkaloids including eight compounds with potentialnew esterification types were characterized in processed lateral roots of Aconitum carmichaelii Debx. Moreover,the LC-IM-MS distribution regularities of diterpene alkaloids with various chemical structure types were furtherinvestigated and discussed. This study presented an innovative idea for revealing the chemical basis related to thetoxicities of potentially poisonous herbal medicines to ensure the medication safety." |
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