Ion annotation-assisted analysis of LC-MS based metabolomic experiment

Table 4 The number of ions overlapping between experiments in Dataset 1

	Overlapping ion masses		Overlapping monoisotopic ion masses
	M ₀		M ₁		M ₂		Selected Ions
Mode	2/3	3/3	2/3	3/3	2/3	3/3	2/3	3/3
Positive	46 (27)	3 (2)	23 (15)	1 (1)	16 (12)	2 (2)	23 (15)	2 (2)
Negative	16 (10)	0	12 (8)	0	13 (9)	0	13 (9)	0
Total	59 (34)	3 (2)	32 (20)	1 (1)	26 (18)	2 (2)	33 (21)	2 (2)

M₁ and M₂ use only monoisotopic ion masses; hence cannot be compared with M₀ using individual ion masses. The number of ions overlapping in at least 2 out of 3 (2/3) and all three (3/3) experiments using M₀, M₁, and M₂ are shown. The numbers in parentheses show the corresponding putative identifications.

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