Influence of Single Skimmer Versus Dual Funnel Transfer on the Appearance of ESI-Generated LiCl Cluster/ß-Cyclodextrin Inclusion Complexes

Abstract

Abstract. Singly and doubly charged adducts of LiCl with β-cyclodextrin (βCD) of the type (βCD)(LiCl) n Li + and (βCD) 2 (LiCl) p Li 2 2+ were studied using electrospray ionization mass spectrometry (ESI-MS). Insight into their structural composition was gained by analysis of their collision-induced dissociation (CID) mass spectra. The conditions the ions experience in the transfer region interfacing the ESI source and the mass analyzer were found to have a marked influence on the nature of the detected ions. In one instrument incorporating a single skimmer, individually attached LiCl ion pairs were observed, whereas the dual funnel ion guides of the second instrument allow the detection of previously unknown labile inclusion complexes of (LiCl) n clusters in βCD.

Gas-Phase Fragmentation of Cyclic Oligosaccharides in Tandem Mass Spectrometry

“…Overlap of peak clusters of the ions bearing different charges (Figure 2) was reported in several papers, e.g. [15,16]. The separation of these ions (for example, [M + H] + and [2M + 2H] 2+ ) by mass spectrometry alone is impossible (because of m / z = n m /n z ), but they are separable by ion mobility spectrometry (IMS) due to their difference in size and shape [17,18].…”

Salt Cluster Attachment to Crown Ether Decorated Phthalocyanines in the Gas Phase

“…This fragmentation behavior has been shown to be typical for salt clusters. 17,18,24,31,48 In low-energy CID small cesium-iodide clusters dissociate via consecutive losses of CsI or (CsI) 2 . The loss of larger clusters only occurs from larger precursor cluster ions or at high-energy CID.…”

“…While salt clusters have been studied extensively in the gas phase, 17−29 their aggregates with larger molecules have rarely been addressed. 30,31 The aggregate ions observed in the positive-and negative-ion modes were found to behave remarkably different upon collisional activation. The fragmentation behavior of the positively charged ions indicates that the sodium ions providing the charge are strongly bound inside the crown ether moieties, while the neutral salt units are less strongly attached.…”

“…The ESI mass spectra obtained with this solution showed aggregates of ZnPcTetCr containing neutral NaCl units in both polarities. While salt clusters have been studied extensively in the gas phase, − their aggregates with larger molecules have rarely been addressed. , …”

Influence of electronic and molecular structure on the fragmentation dynamic of even-electron carbocationic triangulenes and helicenes in the gas phase

“…Generally, the ion transfer settings vary due to spectra tuning. We have recently published several illustrative examples of the complementary application of QqToF and ion trap instruments …”