. Author manuscript; available in PMC: 2014 Mar 1.

Published in final edited form as: J Proteome Res. 2013 Feb 12;12(3):1419–1427. doi: 10.1021/pr301053d

Table 2.

Comparison of feature matching to known metabolites by m/z.

	# features detected	# features matched to MMCD ^*	% matched to MMCD
apLCMS, hybrid ^$	2441 (572)^#	1156 (336)^#	47.4% (58.7%)^#
apLCMS, untargeted ^$	2018	843	41.8%
apLCMS, untargeted, less stringent ^@	4448 (2578)^&	1577 (759)^&	35.4% (29.4%)^&

Allowed ion species: actual M, [M+H]⁺, [M+Na]⁺, [M+K]⁺, [M+NH₄]^{+; 12}C, ¹⁴N only; matching at 5 ppm tolerance level.

Key parameter settings: min.run=16, min.pres=0.6.

Key parameter settings: min.run=8, min.pres=0.4; other parameters unchanged.

Features not overlapping with those found by unsupervised, less stringent approach.

Features not overlapping with those found by hybrid approach.