A Fragmentation Study of Six C-21 Steroidal Aglycones by Electrospray Ionization Ion-Trap Time-of-Flight Tandem Mass Spectrometry

	A Fragmentation Study of Six C-21 Steroidal Aglycones by Electrospray Ionization Ion-Trap Time-of-Flight Tandem Mass Spectrometry
	Chen, Xing-Long 1,2; Geng, Chang-An1 ; Chen, Ji-Jun1
	2015-12-01
发表期刊	NATURAL PRODUCT COMMUNICATIONS
卷号	10 期号:12 页码:2053-2058
摘要	The fragmentation patterns of six C-21 steroidal aglycones, metaplexigenin (1), caudatin (2), qingyangshengenin (3), penupogenin (4), 20-cinnamoylsarcostin (5), and gagamine (6), were analyzed by high-resolution electrospray ionization ion-trap time-of-flight tandem mass spectrometry (HR-ESI-IT-TOF-MSn). The [M-H](+) ions of steroids 1-3 that contain a carbonyl functional group at C-20 (Type I) and [M+H](+) ions of steroids 5-6 that possess a hydroxyl group at C-20 (Type II) were readily observed in MS analyses. The fragmentation pathways and diagnostic fragment ions for these six steroidal aglycones were proposed on the basis of their MS' analyses. The common fragmentation pathways for type I steroidal aglycones include the neutral loss of the ester group at C-12 and the hydroxyl moieties on the steroid skeleton, as well as the cleavage of ring D. Their diagnostic fragment ions were identified as m/z 361(B), 343 (C), 325 (D), 307 (F), 283 (G), 259 (E), and 243 (H). The fragmentation behavior of penupogenin (4) in type II was similar to those of type I, with m/z 363 (B'), 345 (C'), 327 (D'), 309 (F'), 283 (G), and 243 (H) as its diagnostic fragment ions. The ester group at C-20 was difficult to cleave in the MSn analyses of 20-cinnamoylsarcostin (5) and gagamine (6) so that the loss of this ester group was slower than that at C-12 and hydroxyl groups; the key ions at m/z 329 (I), 311(J), 293 (K), and 275 (L) were characteristic for 5 and 6. The base ion peaks were derived from the loss of the substituent group at either C-12 or C-17 for both type land type II steroidal aglycones.
关键词	Esi-it-tof-msn Fragmentation Pathways Diagnostic Ions C-21 Steroidal Aglycones
收录类别	SCI
语种	英语
WOS记录号	WOS:000367211300013
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/25431
专题	植物化学与西部植物资源持续利用国家重点实验室
作者单位	1.Chinese Acad Sci, Kunming Inst Bot, Kunming 650201, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Chen, Xing-Long,Geng, Chang-An,Chen, Ji-Jun. A Fragmentation Study of Six C-21 Steroidal Aglycones by Electrospray Ionization Ion-Trap Time-of-Flight Tandem Mass Spectrometry[J]. NATURAL PRODUCT COMMUNICATIONS,2015,10(12):2053-2058.
APA	Chen, Xing-Long,Geng, Chang-An,&Chen, Ji-Jun.(2015).A Fragmentation Study of Six C-21 Steroidal Aglycones by Electrospray Ionization Ion-Trap Time-of-Flight Tandem Mass Spectrometry.NATURAL PRODUCT COMMUNICATIONS,10(12),2053-2058.
MLA	Chen, Xing-Long,et al."A Fragmentation Study of Six C-21 Steroidal Aglycones by Electrospray Ionization Ion-Trap Time-of-Flight Tandem Mass Spectrometry".NATURAL PRODUCT COMMUNICATIONS 10.12(2015):2053-2058.

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