. Author manuscript; available in PMC: 2021 Sep 11.

Published in final edited form as: Metabolomics. 2020 Sep 11;16(9):98. doi: 10.1007/s11306-020-01719-6

Table 3.

Top ten metabolite features in the DDA-discovery dataset (positive and negative ionization mode), ranked by p-value from the F-test. The columns for the PHIV/PHEU and periodontitis (+/−) comparisons and their interaction are as described in the legend for Table 2.

Positive ionization mode			PHIV/PHEU		moderate/without periodontitis		Interaction		F-test
m/z	R.T.	Description	log₂ ratio	p-value	log₂ ratio	p-value	log₂ ratio	p-value	p-value	FDR
382.18	3.68		−0.83	0.004	0.56	0.045	−1.34	0.007	0.0004	0.74
676.70	6.63		1.20	0.001	−0.76	0.038	−1.74	0.008	0.0008	0.74
530.95	8.25	RGPYPPGPLAPPQPF (SMR3B)	−0.90	0.013	0.90	0.014	1.71	0.008	0.0022	0.74
451.22	2.54		−0.65	0.081	1.27	0.002	−1.01	0.128	0.0025	0.74
935.97	5.69	SPPGKPQGPPQQEGNKPQ (PRB4)	1.05	0.000	−0.54	0.060	−0.40	0.416	0.0025	0.74
288.20	3.86	D-Leucyl-N~5~-(diaminomethylene)-L-ornithine	−0.89	0.009	1.06	0.003	−0.35	0.545	0.0027	0.74
265.08	5.93		−0.99	0.027	1.20	0.010	−1.50	0.059	0.0031	0.74
429.25	2.55		−0.76	0.028	0.99	0.007	−1.02	0.094	0.0033	0.74
565.23	4.06		−0.05	0.880	0.63	0.094	−2.26	0.001	0.0034	0.74
434.74	6.86	RIGRFGY (STAT)	−1.01	0.006	1.09	0.004	0.22	0.720	0.0036	0.74
Negative ionization mode
m/z	R.T.	Description	log₂ ratio	p-value	log₂ ratio	p-value	log₂ ratio	p-value	p-value	FDR
329.15	7.4		0.26	0.665	−0.65	0.226	−5.09	0.00001	0.0002	0.19
727.30	6.45		−1.78	0.002	1.44	0.004	0.80	0.384	0.0014	0.34
330.13	5.16		−1.27	0.003	0.88	0.023	−1.17	0.110	0.0014	0.34
684.30	7.74		−1.94	0.001	1.29	0.013	0.42	0.664	0.0022	0.34
297.04	10.37		3.97	0.001	−1.40	0.157	−3.88	0.044	0.0023	0.34
290.09	2.98		2.37	0.001	0.89	0.141	0.07	0.948	0.0026	0.34
442.12	7.09		0.82	0.108	−0.61	0.183	−3.29	0.001	0.0029	0.34
405.18	6.11		−0.96	0.007	0.95	0.003	0.55	0.354	0.0031	0.34
917.46	5.86		1.29	0.003	−0.69	0.070	−1.54	0.038	0.0052	0.45
556.24	7.81		−1.89	0.001	0.48	0.297	0.23	0.794	0.0052	0.45