. 2022 Feb 5;12(2):150. doi: 10.3390/metabo12020150

Table 2.

a: Annotation of the final 20-lipid panel in male rats. b: Annotation of final 19-lipid panel in female rats. Retention time, observed exact mass with instrumental error, observed electrospray adduct, predicted elemental formula, significant p-values for timepoints between repeat TBI and baseline, and fold change (FC) are reported. Positive FC values correspond to increased abundance in serum from injured animals vs. baseline samples, and negative FC values correspond to decreased abundance in injured animals. Fatty acid chain information is provided based on MS/MS information. Detailed MS/MS fragmentation information is provided in the supporting information (Table S2a,b).

Feature Number	Retention Time (min)	m/z Mass Error (ppm)	Detected Ion	Elemental Formula	Annotation	p-Value (TBI vs. Baseline)	Fold Change	Time
a
63	8.893	716.6343 −0.253	[M+NH₄]⁺	C₄₉H₇₈O₂	CE(22:5)	0.0655	1.340	4 h
89	7.303	652.6605 −0.329	[M+H]⁺	C₄₂H₈₅NO₃	Cer(d18:0/24:0)	0.0292	−1.553	4 h
258	2.186	601.3349 −0.518	[M+H]⁺	C₂₇H₅₃O₁₂P	LysoPI(18:0)	0.0147	1.190	24 h
365	5.442	800.6168 −0.096	[M+H]⁺	C₄₅H₈₆NO₈P	PC(18:2_19:0)	0.245	−1.042	30 min
453	4.982	880.6071 0.446	[M+HCO₂]⁻	C₄₈H₈₆NO₈P	PC(18:0_22:5)	0.0483	1.207	4 h *
459	4.742	878.5919 0.958	[M+HCO₂]⁻	C₄₈H₈₄NO₈P	PC(18:0_22:6)	0.0198	1.192	4 h
476	4.337	846.6008 −0.494	[M+H]⁺	C₄₉H₈₄NO₈P	PC(41:7)	0.0323	1.425	4 h
497	4.127	858.6014 0.153	[M+H]⁺	C₅₀H₈₄NO₈P	PC(42:8)	0.249	1.070	4 h
527	4.773	718.5752 0.230	[M+H]⁺	C₄₀H₈₀NO₇P	PC(O-16:1/16:0)	0.146	−1.603	4 h
543	4.326	816.5910 0.387	[M+H]⁺	C₄₈H₈₂NO₇P	PC(O-18:2_22:6)	0.0375	1.493	30 min *
551	5.557	772.6218 −0.197	[M+H]⁺	C₄₄H₈₆NO₇P	PC(O-18:1/18:1)	0.277	1.035	30 min
570	5.768	798.6379 0.386	[M+H]⁺	C₄₆H₈₈NO₇P	PC(O-38:3)	0.221	1.054	24 h
601	4.317	818.6062 −0.162	[M+H]⁺	C₄₈H₈₄NO₇P	PC(O-18:1/22:6)	0.00800	1.607	4 h **
651	5.588	704.5591 −0.433	[M+H]⁺	C₃₉H₇₈NO₇P	PE(O-34:1)	0.0156	−1.605	4 h *
652	6.297	704.5590 −0.504	[M+H]⁺	C₃₉H₇₈NO₇P	PE(O-18:1/16:0)	0.0144	−1.656	4 h *
788	3.676	689.5595 −0.217	[M+H]⁺	C₃₈H₇₇N₂O₆P	SM(d33:1)	0.0953	1.153	24 h
792	3.978	703.5759 0.797	[M+H]⁺	C₃₉H₇₉N₂O₆P	SM(d34:1)	0.0335	1.296	24 h
808	3.613	727.5758 0.606	[M+H]⁺	C₄₁H₇₉N₂O₆P	SM(d36:3)	0.000266	1.632	4 h *
1095	8.758	984.8954 −0.423	[M+NH₄]⁺	C₆₃H₁₁₄O₆	TG(60:4)	0.221	−1.648	24 h
1114	9.754	1014.9420 −0.782	[M+NH₄]⁺	C₆₅H₁₂₀O₆	TG(18:1_20:1_24:1)	0.0275	−1.446	4 h
b
8	0.811	246.1701 0.284	[M+H]⁺	C₁₂H₂₃NO₄	Car(5:0)	0.0137	−1.374	30 min
27	1.325	414.3215 0.313	[M+H]⁺	C₂₃H₄₃NO₅	Car(16:1-OH)	0.0932	1.660	4 h
35	1.701	442.3528 0.316	[M+H]⁺	C₂₅H₄₇NO₅	Car(18:1-OH)	0.00239	2.019	4 h
103	7.349	708.6512 0.868	[M+HCO₂]⁻	C₄₃H₈₅NO₃	Cer(d18:1/25:0)	0.182	1.260	4 h
282	3.997	718.5386 0.654	[M+H]⁺	C₃₉H₇₆NO₈P	PE(16:0_18:1)	0.00113	−2.354	4 h **
328	4.598	772.5858 0.286	[M+H]⁺	C₄₃H₈₂NO₈P	PC(17:0_18:2)	0.156	−1.407	24 h
346	4.434	784.5856 −0.036	[M+H]⁺	C₄₄H₈₂NO₈P	PC(18:1_18:2)	0.0471	−1.381	24 h
348	4.471	828.5764 −1.111	[M+HCO₂]⁻	C₄₄H₈₂NO₈P	PC(16:0_20:3)	0.215	1.183	24 h
388	5.752	814.6323 −0.277	[M+H]⁺	C₄₆H₈₈NO₈P	PC(18:0_20:2)	0.113	1.077	24 h
437	4.243	864.5763 0.996	[M+HCO₂]⁻	C₄₇H₈₂NO₈P	PC(17:0_22:6)	0.0510	1.112	24 h
455	4.646	880.6078 1.206	[M+HCO₂]⁻	C₄₈H₈₆NO₈P	PC(18:0_22:5)	0.125	1.382	30 min
620	4.510	742.5392 0.712	[M+H]⁺	C₄₁H₇₆NO₈P	PE(18:1_18:2)	0.00600	−2.169	24 h **
757	1.899	838.5572 −0.148	[M+Na]⁺	C₄₄H₈₂NO₁₀P	PS(38:2)	0.150	−1.357	24 h
813	5.578	759.6379 −0.112	[M+H]⁺	C₄₃H₈₇N₂O₆P	SM(d16:0_ 22:1)	0.00597	1.456	4 h *
825	5.316	771.6381 −0.113	[M+H]⁺	C₄₄H₈₇N₂O₆P	SM(d39:2)	0.0143	1.619	24 h
874	1.840	302.3054 −1.448	[M+H]⁺	C₁₈H₃₉NO₂	Sphinganine (C18)	0.131	−1.281	4 h
875	1.699	300.2898 0.299	[M+H]⁺	C₁₈H₃₇NO₂	Sphingosine (C18)	0.205	−1.508	24 h
989	8.176	898.7861 −0.280	[M+NH₄]⁺	C₅₇H₁₀₀O₆	TG(18:1_18:2_18:2)	0.0128	−2.530	4 h
1110	8.837	998.9114 −0.076	[M+NH₄]⁺	C₆₄H₁₁₆O₆	TG(61:4)	0.000911	−2.341	4 h *

* Feature held statistical significance at one other timepoint under repeat TBI vs. baseline comparison; ** Feature held statistical significance at all timepoints under repeat TBI vs. baseline comparison.