Table 2.

Metabolites correlated with PRAGMA-%Dis in untargeted analysis.

m/z	Time (sec)	Metabolite	Adduct	Error (ppm)	r	p-value	q-value
166.0533	281	Methionine sulfoxide	[M+H]	0	0.648	5.59E-5	0.0273
862.6339	137	PC 42:6	[M+H]	2	−0.357	9.89E-5	0.0273
524.3711	270	LysoPC 18:0	[M+H]	0	0.669	3.57E-4	0.0407
287.2442	320	Diacetylspermine	[M+H]	0	0.318	6.36E-4	0.0425
522.3556	270	LysoPC 18:1	[M+H]	0	0.599	2.69E-3	0.1272
175.1190	305	Arginine	[M+H]	0	0.254	2.78E-3	0.1272
496.3397	274	LysoPC 16:0	[M+H]	0	0.598	2.86E-3	0.1272
133.0972	308	Ornithine	[M+H]	0	0.304	2.98E-3	0.1277
482.3240	196	LysoPE 18:0	[M+H]	0	0.579	3.70E-3	0.1428
466.3288	192	LysoPE O-18:1	[M+H]	0	0.640	4.80E-3	0.1586
147.1128	311	Lysine	[M+H]	0	0.197	6.72E-3	0.1920
176.1030	257	Citrulline	[M+H]	0	0.307	8.68E-3	0.2061
112.0869	303	Histamine	[M+H]	0	0.284	9.54E-3	0.2152
808.5817	215	PC 36:2	[M+Na]	1	0.161	0.0127	0.2314
415.2607	222	Lithocholic acid	[M+K]	0	−0.193	0.0141	0.2314
526.2913	192	LysoPE 22:6	[M+H]	2	0.310	0.0159	0.2431
660.5332	157	PE ae 32:0	[M+H-H2O]	0	−0.049	0.0183	0.2456
772.6232	218	PC ae 36:2	[M+H]	2	0.678	0.0186	0.2456
205.0971	182	Tryptophan	[M+H]	0	0.309	0.0198	0.2467
703.5729	247	SM 34:1	[M+H]	2	0.150	0.0205	0.2467
241.0311	306	Cystine	[M+H]	0	0.420	0.0207	0.2467
138.0550	267	Trigonelline	[M+H]	0	0.153	0.0221	0.2467

Metabolites p<0.05, q<0.25 are shown following deconvolution to remove redundant features that correspond to the same chemical. In such cases, the m/z feature with the highest mean intensity was selected.