. Author manuscript; available in PMC: 2013 Jul 23.

Published in final edited form as: Int J Ion Mobil Spectrom. 2013 Feb 28;16(2):85–94. doi: 10.1007/s12127-013-0123-7

Table 1.

Details of the ion systems modeled in this work.

	mass [Da]	Reduced mobility, K0 [ cm2·V-1·sec-1]			Collision Cross-Section [ Å2]

		Helium	Nitrogen	Argon	Helium	Nitrogen	Argon
benzoylmethylecgonine (cocaine)	303.35	3.382	1.063	0.933	47.3	150.4	171.3
3,4-methylenedioxy-N-methylamphetamine (MDMA)	193.25	4.464	1.363	1.211	36.7	120.1	135.1
alpha-methylphenethylamine (amphetamine)	135.21	5.37	1.557	1.393	31.3	107.9	120.6

Experimentally measured reduced mobility values were obtained from Reference 9.