. 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 2.

Comparison of 25OHD3 cation adducts for alkali metals, demonstrating the ratio between “open” and “closed” conformers and theoretical Gibbs free energy difference between conformers in solution.

Ion	m/z	Ratio O:C	ΔG (C→0) (kcal/mol)
[M+Li]⁺	407.350	0.41	6.65
[M+Na]⁺	423.324	0.88	2.12
[M+K]⁺	439.298	2.61	−1.44
[M+Rb]⁺	485.246	4.85	−4.21
[M+Cs]⁺	533.240	3.96	−3.66