title: Neutral fragment filtering for rapid identification of new diester-diterpenoid alkaloids in roots of Aconitum carmichaeli by ultra-high-pressure liquid chromatography coupled with linear ion trap-orbitrap mass spectrometry.
abstract: A rapid and effective method was developed for separation and identification of diester-diterpenoid alkaloids (DDA) in the roots of Aconitum carmichaeli by ultra-high-pressure liquid chromatography coupled with high resolution LTQ-Orbitrap tandem mass spectrometry (UHPLC-LTQ-Orbitrap-MS(n)). According to accurate mass measurement and the characteristic neutral loss filtering strategy, a total of 42 diester-diterpenoid alkaloids (DDA) were rapidly detected and characterized or tentatively identified. Meanwhile, the proposed fragmentation pathways and the major diagnostic fragment ions of aconitine, mesaconitine and hypaconitine were investigated to trace DDA derivatives in crude plant extracts. 23 potential new compounds were successfully screened and characterized in Aconitum carmichaeli, including 16 short chain fatty acyls DDA, 4 N-dealkyl DDA and several isomers of aconitine, mesaconitine and hypaconitine.
authors.affiliation: Lab of Chinese Materia Medica Preparation, The Second Clinical College of Guangzhou University of Chinese Medicine, Guangzhou, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Zhang
authors.forename: Zhi Hai
authors.initials: ZH
authors.lastname: Huang
authors.forename: Xiao Hui
authors.initials: XH
authors.lastname: Qiu
authors.forename: Yi Ming
authors.initials: YM
authors.lastname: Yang
authors.forename: Da Yuan
authors.initials: DY
authors.lastname: Zhu
authors.forename: Wen
authors.initials: W
authors.lastname: Xu
mesh_terms: D000157:Aconitine / Q000031:analogs & derivatives / Q000032:analysis / Q000737:chemistry; D031841:Aconitum / Q000737:chemistry*; D000470:Alkaloids / Q000032:analysis* / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid; D004224:Diterpenes / Q000032:analysis* / Q000737:chemistry; D004952:Esters / Q000032:analysis* / Q000737:chemistry; D005227:Fatty Acids / Q000032:analysis; D005374:Filtration / Q000379:methods*; D007536:Isomerism; D018517:Plant Roots / Q000737:chemistry*; D012015:Reference Standards; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D000470:Alkaloids; D004224:Diterpenes; D004952:Esters; D005227:Fatty Acids; C058309:hypaconitine; D000157:Aconitine