A fragmentation study on four C19-diterpenoid alkaloids by electrospray ionization ion-trap time-of-flight tandem mass spectrometry

doi:10.1080/10286020.2015.1038524

	A fragmentation study on four C19-diterpenoid alkaloids by electrospray ionization ion-trap time-of-flight tandem mass spectrometry
	Chen,Xing-Long; Geng,Chang-An; Chen,Ji-Jun
	2015-09-02
发表期刊	JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH
卷号	17 期号:9 页码:915-929
摘要	High-resolution electrospray ionization ion-trap time-of-flight tandem mass spectrometry (HR-ESI-IT-TOF-MSn) in positive-ion mode was used to determine the accurate masses and fragmentation pathways of four C-19-diterpenoid alkaloids, aconitine (1), yunnaconitine (2), crassicauline A (3), and benzoylmesaconine (4). The [M+H](+) ions of compounds 1-4 were readily observed in conventional single-stage mass spectrometry. Based on the MS1-6 analyses, detailed fragmentation rules of the four compounds were proposed. The neutral losses of AcOH, MeOH, H2O, CO, C2H4, PhCOOH and p-OMePhCOOH segments were the characteristic eliminations from the precursor ions due to the presence of acetyl, methoxyl, hydroxyl, N-ethyl, benzoyl and p-methoxyl-benzoyl units in the structures. Benefited from the high resolution of the mass analyzer, the loss of 28Da corresponding to CO or CH4 segment in product ions was unambiguously distinguished. The losing sequence of the main substituent groups was summarized as: C(8)-acetyl>C(16)-methotyl>C(15)-hydroxyl>C(6)-methoxyl>C(1)-methoxyl/C(3)-hydroxyl>C(18)-methoxyl>>C(13)-hydroxyl. The sequential loss of (16)-methoxyl moiety and CO (generating from enol-ketone tautomerism) groups could be recognized as the characteristic eliminations for the compounds with C(16)-methoxyl and C(15)-hydroxyl groups simultaneously. The application of HR-ESI-IT-TOF-MSn technique to investigate the fragmentation of C-19-diterpenoid alkaloids provided useful information to understand their fragmentation behaviors.
关键词	Ranunculaceae Aconitum Hr-esi-it-tof-msn Fragmentation Rules C-19-diterpenoid Alkaloids
DOI	10.1080/10286020.2015.1038524
收录类别	SCI
语种	英语
WOS记录号	WOS:000361969800008
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/25181
专题	植物化学与西部植物资源持续利用国家重点实验室
推荐引用方式 GB/T 7714	Chen,Xing-Long,Geng,Chang-An,Chen,Ji-Jun. A fragmentation study on four C19-diterpenoid alkaloids by electrospray ionization ion-trap time-of-flight tandem mass spectrometry[J]. JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH,2015,17(9):915-929.
APA	Chen,Xing-Long,Geng,Chang-An,&Chen,Ji-Jun.(2015).A fragmentation study on four C19-diterpenoid alkaloids by electrospray ionization ion-trap time-of-flight tandem mass spectrometry.JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH,17(9),915-929.
MLA	Chen,Xing-Long,et al."A fragmentation study on four C19-diterpenoid alkaloids by electrospray ionization ion-trap time-of-flight tandem mass spectrometry".JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH 17.9(2015):915-929.

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