Table 2.

Comparison of PIXiE and Agilent IM-MS browser determined CCSs for 12 metabolites

Metabolite	Adduct	PIXiE CCS (Å2)	IM-MS browser CCS (Å2)	Difference between programs (%)
(−)-Epinephrine	[M−H]	142.4496	144.0134	1.09
Adenosine	[M+H] (1)	155.555	156.2909	0.47
	[M+H] (2)	168.2187	166.1145	1.27
	[M+Na]	170.7047	170.9785	0.16
	[M−H]	166.5123	168.3901	1.12
Choline	[M+]	117.4588	118.2236	0.65
Cytidine	[M+H]	153.8407	154.2226	0.25
	[M+Na]	162.347	162.6927	0.21
D-Fructose-1,6-BP	[M−H]	156.4098	155.8715	0.35
D-Glucosamine 6-P	[M+H]	154.2323	155.2702	0.67
	[M+Na]	162.9773	161.5521	0.88
	[M−H]	150.5087	150.481	0.02
D-Tryptophan	[M+H]	154.4439	153.8472	0.39
	[M+Na]	149.2501	150.1552	0.60
	[M−H]	155.872	156.5406	0.43
Folic acid	[M+H]	195.2117	195.2644	0.03
	[M+Na]	203.1976	204.6301	0.70
	[M−H]	194.6636	194.4258	0.12
NAD	[M+H]	227.936	226.236	0.75
	[M+Na]	223.3434	223.4154	0.03
	[M−H]	227.1015	227.8383	0.32
Sucrose	[M+Na]	174.6098	174.2231	0.22
	[M−H]	170.1421	169.641	0.30
Taurine	[M+H]	139.7391	140.4202	0.49
UDP-Galactose	[M−H]	210.8353	211.6699	0.39