. 2021 Jan 12;47(4):544–563. doi: 10.1111/nan.12681

TABLE 5.

Lipidomic features associated with neurological disease of the TDP‐43 spectrum

Lipid category	Lipidomic feature	Ionisation	mz value	Retention time	chi squared	p value	post hoc
Fatty acyls	FAHFA(42:3) ^b	Negative	643.5684	9.1	10.955	0.01197	sALS ‐ CTL, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
Glycerolipids	DG(16:0/22:6) ^a	Positive	640.5837	7.5	11.308	0.010173	CTL ‐ sFTLD‐TDP, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	MG(20:1) ^c	Positive	402.3529	3.1	8.9668	0.029736	CTL ‐ sFTLD‐TDP, CTL ‐ c9FTLD
	TG(18:0/18:1/18:1) ^a	Positive	904.8296	10.3	9.3931	0.024496	sALS ‐ sFTLD‐TDP, sFTLD‐TDP ‐ c9FTLD
	TG(18:1/18:1/18:2) ^a	Positive	900.8005	10	8.1153	0.043688	sALS ‐ sFTLD‐TDP, CTL ‐ sFTLD‐TDP
Glycerophospholipids	PC(16:0/20:4) ^a	Positive	782.5691	6.9	8.3459	0.039379	sALS ‐ CTL, CTL ‐ sFTLD‐TDP
	PC(16:0/22:6) ^a	Positive	806.5692	6.8	9.1774	0.027023	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP
	PC(18:1/20:4) ^a	Positive	808.5845	7	9.7619	0.020703	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP, sFTLD‐TDP ‐ c9FTLD
	PC(36:3) ^b	Positive	784.5814	7.2	8.278	0.040603	sALS ‐ CTL, sALS ‐ c9FTLD
	PC(44:5) ^b	Positive	846.6285	7.7	8.8661	0.031125	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, CTL ‐ sFTLD‐TDP
	PE(O‐37:1) ^b	Positive	746.5681	7.7	8.1337	0.043328	sALS ‐ CTL, sALS ‐ c9FTLD
	PE(P−16:0/22:6) ^a	Positive	748.5247	7	8.7502	0.032804	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP
	PE‐NMe(44:12) ^c	Negative	830.5276	7.2	8.0631	0.044726	CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
Sphingolipids	SM(d20:5/16:1) ^a	Positive	721.5057	7.8	9.4698	0.023655	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP
	SM(d33:0) ^b	Positive	689.555	7.2	9.1091	0.027875	CTL ‐ sFTLD‐TDP, CTL ‐ c9FTLD
	Sphinganine ^c	Positive	284.2891	4.4	7.8587	0.049024	sALS ‐ CTL, CTL ‐ c9FTLD
Sterol lipids	CE(20:1) ^a	Positive	696.6463	8.5	11.753	0.0082796	CTL ‐ sFTLD‐TDP, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
Unknown	1145.327_7.909675	Positive	1146.327	7.9	13.69	0.0033584	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	1423.392_10.11581	Positive	1424.392	10.1	11.061	0.011402	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, CTL ‐ sFTLD‐TDP
	224.0327_0.9230345	Negative	223.0327	0.9	11.841	0.0079478	sALS ‐ sFTLD‐TDP, sALS ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	224.19_1.288949	Positive	225.19	1.3	9.4867	0.023473	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ c9FTLD
	273.029_1.499844	Positive	274.029	1.5	15.853	0.0012154	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, sALS ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	320.3433_3.320781	Positive	321.3433	3.3	8.6829	0.033819	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, CTL ‐ sFTLD‐TDP
	348.375_3.32256	Positive	349.375	3.3	8.86	0.031212	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ c9FTLD
	422.4066_7.569828	Negative	421.4066	7.6	8.9619	0.029801	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP, sFTLD‐TDP ‐ c9FTLD
	598.5024_8.868424	Positive	599.5024	8.9	7.9038	0.048042	sALS ‐ CTL, sALS ‐ c9FTLD
	602.531_8.221487	Positive	603.531	8.2	9.6105	0.022185	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ c9FTLD
	648.6568_6.103854	Positive	649.6568	6.1	9.563	0.022671	sALS ‐ CTL, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	666.6668_6.717138	Positive	667.6668	6.7	11.872	0.0078361	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP
	667.059_0.9157435	Negative	666.059	0.9	8.1549	0.042917	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, CTL ‐ sFTLD‐TDP
	703.5196_6.254575	Positive	704.5196	6.3	9.1774	0.027023	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ sFTLD‐TDP
	773.5415_7.0351	Positive	774.5415	7	10.63	0.013903	sALS ‐ CTL, CTL ‐ sFTLD‐TDP,
	780.1863_5.702648	Positive	781.1863	5.7	9.9159	0.019295	sALS ‐ CTL, sALS ‐ c9FTLD, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	842.8146_10.21985	Positive	843.8146	10.2	8.0448	0.045095	sALS ‐ sFTLD‐TDP, sALS ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	868.1839_6.287742	Negative	867.1839	6.3	9.5946	0.022346	sALS ‐ CTL, sALS ‐ sFTLD‐TDP, CTL ‐ c9FTLD, sFTLD‐TDP ‐ c9FTLD
	981.2558_8.147829	Positive	982.2558	8.1	9.6517	0.021772	sALS ‐ sFTLD‐TDP, sALS ‐ c9FTLD, CTL ‐ c9FTLD

Significant molecular features Kruskal–Wallis test with p value <0.05 are shown as LC‐ESI ionisation mode (P for positive and N for negative) followed by neutral mass and retention time. Potential identities based on MS1 and MS2 data for each feature are found lipidomic feature. Unidentified compounds are labelled as neutral mass and retention time. Ether phospholipids are highlighted in bold.

Abbreviations: CE, cholesterol ester; DG, diacylglycerol; FDR, false discovery rate; MG, monoacylglycerol; mz value, mass‐to‐charge ratio; PC, phosphocholine; PE, phophoethanolamine; SM, sphingomyelin; TG, triacylglycerol.

^{^a}

Represents confirmation by data‐dependent MS2.

^{^b}

Represents confirmation by data‐dependent MS2 by class.

^{^c}

Represents confirmation by MS1 exact mass and retention time.