. Author manuscript; available in PMC: 2019 Sep 1.

Published in final edited form as: Int J Mass Spectrom. 2018 May 22;432:1–8. doi: 10.1016/j.ijms.2018.05.013

Table 3.

Experimentally obtained and theoretically calculated collision cross sections for the “open” and “closed” conformations of 25OHD3 adducts with alkali metals.Experimental uncertainly measured across eight different drift tube fields. Theoretical CCS standard deviations are shown.

	“Open” Conformation			Closed” Conformation
Ion	^DTCCS_N2 (Å²) Experimental	^DTCCS_N2 (Å²) Theoretical	ΔCCS	^DTCCS_N2 (Å²) Experimental	^DTCCS_N2 (Å²) Theoretical	ΔCCS
[M+Li]⁺	236.8 ± 0.2	228.7 ±2.0	3.4%	211.1 ±0.2	203.9 ± 1.9	3.4%
[M+Na]⁺	232.9 ±0.5	231.7 ±2.5	0.5%	207.1 ±0.3	206.2 ±2.8	0.4%
[M+K]⁺	232.3 ±0.3	232.7 ±2.2	0.2%	207.4 ±0.2	204.7 ±1.9	1.3%
[M+Rb]⁺	230.2 ±0.3	239.6 ±2.0	4.1%	207.8 ±0.3	210.9± 1.2	1.5%
[M+Cs]⁺	229.4 ±0.3	239.1 ±2.0	4.2%	209.4 ±0.3	208.4 ±1.4	0.5%