Localization of fatty acyl and double bond positions in phosphatidylcholines using a dual stage CID fragmentation coupled with ion mobility mass spectrometry.
Localization of fatty acyl and double bond positions in phosphatidylcholines using a dual stage CID fragmentation coupled with ion mobility mass spectrometry.
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DOI：
10.1007/s13361-011-0172-2
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发表时间：
2011-09
影响因子：
3.2
通讯作者：
Hankemeier, Thomas
中科院分区：
文献类型：
--
作者：
Castro-Perez, Jose;Roddy, Thomas P.;Nibbering, Nico M. M.;Shah, Vinit;McLaren, David G.;Previs, Stephen;Attygalle, Athula B.;Herath, Kithsiri;Chen, Zhu;Wang, Sheng-Ping;Mitnaul, Lyndon;Hubbard, Brian K.;Vreeken, Rob J.;Johns, Douglas G.;Hankemeier, Thomas
关键词：
利用两阶段[捕获（第一代碎片）和转移（第二代碎片）]碰撞诱导解离（CID）结合行波离子迁移谱（TWIMS）实现了用于分析磷脂酰胆碱（PC）的高含量分子碎片。这项工作的新方面在于，TWIMS安排被用来获得一个高层次的结构信息，包括脂肪酰基取代基和双键的PC在血浆中的位置，和碱金属加合物离子，如[M + Li]+的存在下，不需要获得双键的位置。碎片离子的元素组成通过精确的质量测量来确认。从PC [16：0/18：1（9 Z）]产生了非常特异性的第一代碎片离子m/z 577（M-磷酰胆碱），其通过进一步的CID产生含有脂肪酰基16：0（C15 H31 CO+，m/z 239）或18：1（9 Z）（C17 H33 CO+，m/z 265）取代基的酰基离子。这些酰基离子随后的水分损失是主要从羰基的α-近端位置产生烃碎片离子的关键，例如烃离子m/z 67（+H2 C-HC = CH-CH = CH 2）。这些离子的形成对于确定脂肪酰基链中的双键具有重要意义。除此之外，借助于13 C标记的溶血磷脂酰胆碱（LPC）18：1（9 Z），在ω-位（甲基）TAP裂解产生m/z 57的离子。已证明其来源于LPC中的α-近端（羧酸酯）或远端ω-位（甲基）。本文的在线版本（doi：10.1007/s13361-011-0172-2）包含补充材料，可供授权用户使用。
A high content molecular fragmentation for the analysis of phosphatidylcholines (PC) was achieved utilizing a two-stage [trap (first generation fragmentation) and transfer (second generation fragmentation)] collision-induced dissociation (CID) in combination with travelling-wave ion mobility spectrometry (TWIMS). The novel aspects of this work reside in the fact that a TWIMS arrangement was used to obtain a high level structural information including location of fatty acyl substituents and double bonds for PCs in plasma, and the presence of alkali metal adduct ions such as [M + Li]+ was not required to obtain double bond positions. Elemental compositions for fragment ions were confirmed by accurate mass measurements. A very specific first generation fragment ion m/z 577 (M-phosphoryl choline) from the PC [16:0/18:1 (9Z)] was produced, which by further CID generated acylium ions containing either the fatty acyl 16:0 (C15H31CO+, m/z 239) or 18:1 (9Z) (C17H33CO+, m/z 265) substituent. Subsequent water loss from these acylium ions was key in producing hydrocarbon fragment ions mainly from the α-proximal position of the carbonyl group such as the hydrocarbon ion m/z 67 (+H2C-HC = CH-CH = CH2). Formation of these ions was of important significance for determining double bonds in the fatty acyl chains. In addition to this, and with the aid of 13C labeled lyso-phosphatidylcholine (LPC) 18:1 (9Z) in the ω-position (methyl) TAP fragmentation produced the ion at m/z 57. And was proven to be derived from the α-proximal (carboxylate) or distant ω-position (methyl) in the LPC. The online version of this article (doi:10.1007/s13361-011-0172-2) contains supplementary material, which is available to authorized users.
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DOI：
10.1016/j.prostaglandins.2004.09.005
发表时间：
2005-09-01
影响因子：
2.9
作者：
Gross, RW;Jenkins, CM;Han, XL
通讯作者：
Han, XL
影响因子：
7.4
作者：
BRYANT, DK;ORLANDO, RC;HENDERSON, LE
通讯作者：
HENDERSON, LE
DOI：
10.1016/s1044-0305(99)00041-0
发表时间：
1999-07-01
影响因子：
3.2
作者：
Hsu, FF;Turk, J
通讯作者：
Turk, J
影响因子：
7.4
作者：
Belov, Mikhail E.;Buschbach, Michael A.;Smith, Richard D.
通讯作者：
Smith, Richard D.
DOI：
10.1111/j.1432-1033.1968.tb00385.x
发表时间：
1968-01-01
期刊：
EUROPEAN JOURNAL OF BIOCHEMISTRY
影响因子：
--
作者：
ARVIDSON, GA
通讯作者：
ARVIDSON, GA