Table 1.

List of ion parameters of ions that were used to validate the SIMION-SDS-FDMC.

Chemical	Ion	Mass (amu)	Ko (10−4 m2.V−1.s−1)	α2 (Td−2)	α4 (Td−4)
1. Hydrated Proton	H+(H2O)3	55.00	2.34	1.78 × 10−5	−4.91 × 10−10
2. Hydroxyproline	(C5H9NO3)H+	131.13	2.18	5.82 × 10−6	−1.09 × 10−10
3. Leucine	(C6H13NO2)H+	131.17	2.17	4.06 × 10−6	0.79 × 10−10
4. Hydrated Oxygen	O2−(H2O)3	86.00	2.13	1.93 × 10−5	−4.30 × 10−10
5. 2-Propanone (dimer)	(C3H6O)2H+	116.16	1.85	7.44 × 10−6	−6.94 × 10−10
6. 2-Dodecanone (dimer)	C12H24O)2H+	368.62	1.39	−2.16 × 10−6	−0.84 × 10−10