Table 1.

Discriminant metabolites between GNE patients and healthy controls, as determined by the OPLS-DA model, along with their corresponding mass spectrometry characteristics. These characteristics were obtained from the positive ionization mode in the mass spectrometry.

Lipid	Adduct	m/z exp.	m/z theor.	Δ (ppm)	RT (min)	Formula	DTCCSN2 (Å2) Theoretical	DTCCSN2 (Å2) Measured	Deviation of CCS Values (%)	VIP	p Value	Regulation in GNE
Acar 16:0	+H+	400.3418	400.3421	0.75	0.82	C23H45NO4	213.80	213.87	0.03	1.08	0.03	↓
Acar 18:0	+H+	428.3733	428.3734	0.24	1.14	C25H49NO4	220.50	220.47	−0.01	1.31	0.02	↓
Acar 18:1	+H+	426.3593	426.3578	3.5	0.99	C25H47NO4	221.90	218.73	−1.43	1.69	0.006	↓
LPC 15:0	+H+	482.3293	482.3281	2.49	1.08	C23H48NO7P	226.34	231.18	2.14	2.12	0.001	↓
LPC 16:0	+H+	496.3403	496.3398	1.01	1.12	C24H50NO7P	233.30	231.39	−0.81	1.37	0.007	↓
LPC 17:0	+H+	510.3573	510.3554	3.71	1.15	C25H52NO7P	236.07	232.52	−1.50	1.14	0.0002	↓
LPC 18:3	+H+	518.3235	518.3241	−1.16	0.89	C26H48NO7P	224.1	224.05	−0.02	2.19	0.0006	↓
LPC 18:2	+H+	520.3396	520.3398	0.38	0.98	C26H50NO7P	228.4	227.83	−0.25	1.15	0.005	↓
LPC 18:1	+H+	522.3552	522.3554	−0.19	1.21	C26H52NO7P	232.92	233.84	0.39	1.02	0.044	↓
LPC 18:0	+H+	524.3711	524.3713	0.38	1.25	C26H54NO7P	238.53	235.15	−1.42	1.34	0.004	↓
LPC 20:4	+H+	544.3413	544.3398	2.75	1.18	C28H50NO7P	230.97	234.48	1.51	1.14	0.03	↓
LPC 20:0	+H+	552.4013	552.4024	−1.99	1.61	C28H58NO7P	248.6	247.00	−0.64	1.15	0.005	↓
PC 16:0_16:1	+H+	732.5533	732.5538	−0.68	3.32	C40H78NO8P	286.5	282.31	−1.46	1.33	0.008	↑
PC 16:1_18:2	+H+	756.5563	756.5538	3.30	2.18	C42H78NO8P	282.0	282.88	0.31	1.53	0.02	↓
PC 16:0_18:2	+H+	758.5673	758.5694	−2.76	3.25	C42H80NO8P	286.5	287.27	0.27	2.23	0.08	↓
PC 16:0_18:0	+H+	762.5993	762.6007	−1.83	3.67	C42H84NO8P	290.8	291.38	0.20	1.03	0.03	↑
PC 35:1	+H+	774.6033	774.6007	3.36	2.64	C43H84NO8P	289.8	285.8	−1.38	1.03	ns	↓
PC 35:0	+H+	776.61953	776.6164	−1.41	3.98	C43H86NO8P	294.3	286.51	−2.65	1.23	ns	↓
PC 18:1_18:2	+H+	784.5823	784.5851	−3.57	2.69	C44H82NO8P	288.2	292.3	1.42	1.25	ns	↓
PC 18:3_20:0	+H+	812.6163	812.6164	−0.12	4.63	C46H86NO8P	294.5	296.95	0.83	1.04	0.000006	↓
PC 20:2_20:4	+H+	834.5983	834.6007	−2.87	3.57	C48H84NO8P	297.6	299.82	0.75	1.15	0.02	↓
SM 32:2	+H+	673.5303	673.5279	3.56	3.24	C37H73N2O6P	275.00	274.32	−0.25	1.27	ns	↓
SM 18:0_16:0	+H+	705.5903	705.5905	−0.28	3.44	C39H81N2O6P	288.2	288.72	0.18	1.07	ns	↓
SM 38:1	+H+	759.6353	759.6365	−1.58	5.95	C43H87N2O6P	296.7	296.13	−0.19	2.81	0.001	↓
SM 40:1	+H+	787.6663	787.6688	−3.17	6.02	C45H91N2O6P	299.1	302.02	0.98	1.12	0.02	↓
SM 42:2	+H+	815.7003	815.7001	0.24	7.41	C47H95N2O6P	304.9	303.91	−0.32	1.46	0.004	↓
SM 43:1	+H+	829.7153	829.7157	−0.48	7.83	C48H97N2O6P	310.7	310.98	0.09	1.09	0.004	↓
TG 14:0_16:1_18:2	+NH4+	818.7233	818.7232	0.12	12.61	C51H92O6	305.08	306.96	0.38	1.25	ns	↓
TG 14:0_16:1_18:1	+NH4+	820.7393	820.7389	0.49	13.54	C51H94O6	310.3	310.24	−0.02	1.26	ns	↑
TG 14:0_16:1_18:0	+NH4+	822.7553	822.7545	0.97	14.09	C51H96O6	311.5	314.41	0.93	1.14	0.01	↑

↑ = upregulated; ↓ = downregulated; ns = not significant.