Table 2.

Relative abundance of ions found to be significantly different (FDR < 0.1) between Mn exposed and unexposed subjects in the training group.

m/z	Retention time (mins)	Mode	Mn unexposed (n = 10)			Mn exposed (n = 12)			FDR traininga	P value validationb
			Mean ± SD	CV (%)	% Detected	Mean ± SD	CV (%)	% Detected
201.02c	3.56	ESI−	2.05 ± 0.51	24.9	70	3.56 ± 0.40	12.4	100	<0.01	<0.01
297.10c	3.98	ESI−	1.78 ± 0.29	16.3	10	3.23 ± 0.42	13.0	92	<0.01	<0.01
553.24	4.03	ESI−	0.76 ± 0.27	35.5	0	1.94 ± 0.58	29.9	75	<0.01	<0.01
160.08	4.21	ESI−	1.49 ± 0.36	24.2	40	2.14 ± 0.34	15.9	92	0.04	0.14
205.07	4.21	ESI−	1.78 ± 0.42	23.6	80	2.46 ± 0.35	14.2	92	0.08	0.13
246.01	4.68	ESI−	0.41 ± 0.76	185.4	0	1.99 ± 0.31	15.6	83	0.01	0.03
311.12	5.18	ESI−	1.45 ± 0.30	20.7	10	2.34 ± 0.34	14.5	92	<0.01	<0.01
415.22	8.95	ESI−	1.58 ± 0.16	10.1	20	2.04 ± 0.30	14.7	75	0.03	0.08
321.10	4.01	ESI+	1.72 ± 0.26	15.1	0	2.47 ± 0.36	14.6	83	0.03	<0.01
229.07	4.20	ESI+	1.59 ± 0.27	17.0	10	2.07 ± 0.26	12.6	67	0.08	0.40
177.11c	4.71	ESI+	1.84 ± 0.37	20.1	30	2.46 ± 0.25	10.2	92	0.08	<0.01
354.23	4.95	ESI+	2.17 ± 0.27	12.4	50	2.62 ± 0.21	8.0	83	0.08	0.20
311.15	6.83	ESI+	2.42 ± 0.22	9.1	80	1.97 ± 0.30	15.2	17	0.10	0.16
403.23	7.72	ESI+	2.04 ± 0.18	8.8	60	1.69 ± 0.19	11.2	17	0.08	0.65
459.22	7.78	ESI+	2.84 ± 0.21	7.4	100	2.41 ± 0.24	10.0	58	0.08	0.08

CV: coefficient of variation; m/z: mass to charge ratio.

^aBenjamini–Hochberg corrected P value between Mn unexposed (n = 10) and Mn exposed (n = 12 f) subjects in training group.

^bTwo-sided t-test between exposed (n = 8) and unexposed (n = 7) in validation groups.

^cHad known isotopologues or fragments that were also found in the training group with FDR < 0.1.