Department of Core R&D Analytical Sciences, The Dow Chemical Company, 2301N. Brazosport Blvd., B-1219, Freeport, TX 77541, USA.
Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA.
Anal Chim Acta. 2014 Jan 15;808:199-219. doi: 10.1016/j.aca.2013.09.035. Epub 2013 Sep 27.
A combination of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) collision induced dissociation (CID) and ion mobility separations (IMS) was used to study a complex mixture composed of unreacted polyester starting material (polybutylene adipate) and polyurethane (PUR) end products. Collision induced dissociation fragmentation identified two primary fragmentation mechanisms of PURs, which were used to generate a general fragmentation model. Predicted fragment ions were used to distinguish: (1) linear and cyclic PURs, (2) hard-block and soft-block PURS, (3) the degree of "blockiness" within hard- and soft-block PURs, (4) the location of the MDI linkages within each PUR chain, and (5) the relative intensities of various isobars intermingled within a precursor mass peak. These results were consistent with the observed IMS separations.
采用基质辅助激光解吸/电离飞行时间质谱（MALDI-TOF MS）的碰撞诱导解离（CID）和离子淌度分离（IMS）联用技术，研究了由未反应的聚酯起始材料（聚己二酸丁二醇酯）和聚氨酯（PUR）末端产物组成的复杂混合物。CID 碎裂鉴定了 PUR 的两种主要的碎裂机制，用于生成通用的碎裂模型。预测的碎片离子用于区分：（1）线性和环状 PUR，（2）硬段和软段 PUR，（3）硬段和软段 PUR 中的“嵌段度”，（4）每个 PUR 链中 MDI 键的位置，以及（5）在一个前体质量峰中混合的各种同量异位素的相对强度。这些结果与观察到的 IMS 分离结果一致。
