. 2014 Sep;55(9):1970–1980. doi: 10.1194/jlr.D048660

TABLE 1.

Characteristic molecular ions and fragments of common lipids in ToF-SIMS spectra

	+SIMS
	m/z	Proposed Fragments	Species	Reference
GPCho	86.1188	[C₅H₁₂N]⁺	Fragment	(18, 26)
	104.1198	[C₅H₁₄NO]⁺	Fragment	(27)
	125.0016	[C₂H₆PO₄]⁺	Fragment	(28)
	166.0716	[C₅H₁₃NPO₃]⁺	Fragment	(18, 26)
	184.0717	[C₅H₁₅NPO₄]⁺	Fragment	(18, 26)
	206.0717	[C₅H₁₄NPO₄Na]⁺	Fragment	(18, 26)
	224.1192	[C₈H₁₉NPO₄]⁺	Fragment	(28)
	246.0978	[C₈H₁₈NPO₄Na]⁺	Fragment	(27)
	459.2727	[C₂₃H₄₀O₇P]⁺ C20:3 monoglycerolphosphate	Fragment	(29)
	478.3416	[C₉H₁₈NPO₆-C₁₅H₃₁]⁺ C16:0 monoacylglycerophosphocholines	Fragment	(29, 30)
	496.3012	[C₉H₂₀NPO₇-C₁₅H₃₁]⁺ C16:0 monoacylglycerophosphocholines	Fragment	(29, 30)
	521.4268	[C₃₃H₆₁O₄]⁺ C30:1	Fragment	(29)
	523.4391	[C₃₃H₆₃O₄]⁺ C30:0	Fragment	(29)
	721.4575	[C₃₉H₇₁O₇PK]⁺ C34:3	[M+K-TMA]⁺	(31)
	723.4828	[C₃₉H₇₃O₇PK]⁺ 34:2	[M+K-TMA]⁺	(31)
	725.5492	[C₃₉H₇₅O₇PK]⁺ C34:1	[M+K-TMA]⁺	(28, 31)
	732.5794	[C₁₀H₁₉NPO₈-C₃₀H₆₀]⁺ C32:1	[M+H]⁺	(3)
	758.5543	[C₁₀H₁₉NPO₈-C₃₂H₆₂]⁺ C34:2	[M+H]⁺	(3)
	760.5859	[C₁₀H₁₉NPO₈-C₃₂H₆₄]⁺ C34:1	[M+H]⁺	(3)
	780.5659	[C₄₂H₈₀NPO₈Na]⁺ C34:2	[M+Na]⁺	(28)
	782.5727	[C₄₂H₈₂NPO₈Na]⁺ C34:1	[M+Na]⁺	(28)
	784.5800	[C₄₂H₈₄NPO₈Na]⁺ C34:0	[M+Na]⁺	(28)
	798.5834	[C₄₂H₈₂NPO₈K]⁺ C34:1	[M+K]⁺	(28)
	806.5659	[C₁₀H₁₉NPO₈-C₃₆H₆₂]⁺ C38:6	[M+H]⁺	(3)
GPEtn	124.0946	[C₂H₇NPO₃]⁺	Fragment	(18, 26)
	142.0712	[C₂H₉NPO₄]⁺	Fragment	(18, 26)
	743.5283	[C₇H₁₂NPO₈-C₃₄H₆₆]⁺ C36:2	[M+H]⁺	(3)
	745.4645	[C₇H₁₂NPO₈-C₃₄H₆₈]⁺ C36:1	[M+H]⁺	(3)
	811.7188	[C₇H₁₂NPO₈-C₃₉H₇₄]⁺ C41:3	[M+H]⁺	(3)
GPGro	198.1008	[C₅H₁₁PO₆]⁺	Fragment
GPGro	747.4999	[C₈H₁₂PO₁₀-C₃₂H₆₄]⁺ C34:1	[M+H]⁺	(3)
GPSer	185.0894	[C₃H₈NPO₆]⁺	Fragment	(18, 26)
Sphingolipids	86.1188	[C₅H₁₂N]⁺	Fragment	(18, 26)
	102.0651	[C₅H₁₂NO]⁺	Fragment	(27)
	104.1198	[C₅H₁₄NO]⁺	Fragment	(27)
	166.0716	[C₅H₁₃NPO₃]⁺	Fragment	(18, 26)
	184.0717	[C₅H₁₅NPO₄]⁺	Fragment	(18, 26)
	206.0717	[C₅H₁₄NPO₄Na]⁺	Fragment	(18, 26)
	265.2644	[C₁₈H₃₅N]⁺	Fragment	(29)
	725.5492	[C₃₉H₈₀N₂PO₆Na]⁺ C34:1	[M+Na]⁺	(28, 31)
Sterol lipids, cholesterol	369.3567	[C₂₇H₄₅]⁺	[M+H-H₂O] ⁺	(18)
Sterol lipids, cholesterol	385.3290	[C₂₇H₄₅O]⁺	[M-H] ⁺	(18)
Prenol lipids, vitamin E	430.3663	[C₂₉H₅₀O₂]⁺	[M] ⁺	(31)
MAG	311.2531	[C₁₉H₃₅O₃]⁺ C16:1	All the ions listed here could be fragments from phospholipids, DAG, and TAG, or could be [M+H-OH]⁺ from MAG.	(31)
	313.2756	[C₁₉H₃₇O₃]⁺ C16:0		(31)
	323.2612	[C₂₀H₃₅O₃]⁺ C17:2		(32)
	325.2748	[C₂₀H₃₇O₃]⁺ C17:1		(32)
	327.2948	[C₂₀H₃₉O₃]⁺ C17:0		(32)
	335.2450	[C₂₁H₃₅O₃]⁺ C18:3		(32)
	337.2773	[C₂₁H₃₇O₃]⁺ C18:2		(31)
	339.2876	[C₂₁H₃₉O₃]⁺ C18:1		(31)
	341.2904	[C₂₁H₄₁O₃]⁺ C18:0		(31)
	351.2905	[C₂₂H₃₉O₃]⁺ C19:2		(32)
	353.3179	[C₂₂H₄₁O₃]⁺ C19:1		(32)
	355.3002	[C₂₂H₄₃O₃]⁺ C19:0		(32)
	391.2893	[C₂₅H₄₃O₃]⁺ C22:2		(32)
	393.2867	[C₂₅H₄₅O₃]⁺ C22:1		(32)
	395.3213	[C₂₅H₄₇O₃]⁺ C22:0		(32)
DAG	515.4220	[C₃₃H₅₅O₄]⁺ C30:0	All the ions listed here could be fragments from phospholipids and TAG, or could be [M+H-OH]⁺ from DAG.	(31)
	519.4109	[C₃₃H₅₉O₄]⁺ C30:2		(31)
	545.4204	[C₃₅H₆₁O₄]⁺ C32:3		(31)
	547.4403	[C₃₅H₆₃O₄]⁺ C32:2		(31)
	549.4657	[C₃₅H₆₅O₄]⁺ C32:1		(31)
	551.4621	[C₃₅H₆₇O₄]⁺ C32:0		(31)
	561.4643	[C₃₆H₆₅O₄]⁺ C33:2		(31)
	563.4710	[C₃₆H₆₇O₄]⁺ C33:1		(31)
	571.4325	[C₃₇H₆₃O₄]⁺ C34:4		(31)
	573.4450	[C₃₇H₆₅O₄]⁺ C34:3		(31)
	575.4638	[C₃₇H₆₇O₄]⁺ C34:2		(31)
	577.4696	[C₃₇H₆₉O₄]⁺ C34:1		(31)
	579.4866	[C₃₇H₇₁O₄]⁺ C34:0		(31)
	587.4610	[C₃₈H₆₇O₄]⁺ C35:3		(31)
	589.4792	[C₃₈H₆₉O₄]⁺ C35:2		(31)
	591.4900	[C₃₈H₇₁O₄]⁺ C35:1		(31)
	595.4408	[C₃₉H₆₃O₄]⁺ C36:6		(31)
	597.4587	[C₃₉H₆₅O₄]⁺ C36:5		(31)
	599.4799	[C₃₉H₆₇O₄]⁺ C36:4		(31)
	601.4857	[C₃₉H₆₉O₄]⁺ C36:3		(31)
	603.5008	[C₃₉H₇₁O₄]⁺ C36:2		(31)
	605.5080	[C₃₉H₇₃O₄]⁺ C36:1		(31)
	607.3814	[C₃₉H₇₅O₄]⁺ C36:0		(31)
	621.4608	[C₄₁H₆₅O₄]⁺ C38:7		(31)
	623.4754	[C₄₁H₆₇O₄]⁺ C38:6		(31)
	625.4749	[C₄₁H₆₉O₄]⁺ C38:5		(31)
TAG	825.6895	[C₅₃H₉₃O₆]⁺ C50:5	All the ions listed here are [M+H]⁺ or [M+Na]⁺.	(31)
	827.6923	[C₅₃H₉₅O₆]⁺ C50:4		(31)
	829.6723	[C₅₃H₉₇O₆]⁺ C50:3		(31)
	837.7000	[C₅₄H₉₃O₆]⁺ C51:6		(31)
	839.7016	[C₅₄H₉₅O₆]⁺ C51:5		(31)
	849.7359	[C₅₄H₉₇O₆]⁺ C51:4		(31)
	851.7067	[C₅₅H₉₅O₆]⁺ C52:6		(31)
	853.7187	[C₅₅H₉₇O₆]⁺ C52:5/[C₅₃H₉₈O₆ Na]⁺ C50:2		(31)
	855.7371	[C₅₅H₉₉O₆]⁺ C52:4/[C₅₃H₁₀₀O₆Na]⁺ C50:1		(31)
	861.6857	[C₅₅H₁₀₅O₆]⁺ C52:0		(31)
	863.7032	[C₅₆H₉₅O₆]⁺ C53:7		(31)
	865.7167	[C₅₆H₉₇O₆]⁺ C53:6		(31)
	867.7572	[C₅₆H₉₉O₆]⁺ C53:5		(31)
	877.7266	[C₅₅H₉₈O₆Na]⁺ C52:4/[C₅₇H₉₇O₆]⁺ C54:2		(31)
	879.7386	[C₅₅H₁₀₀O₆Na]⁺ C52:3/[C₅₇H₉₉O₆]⁺ C54:3		(31)
	881.7404	[C₅₅H₁₀₂O₆Na]⁺ C52:2/[C₅₇H₁₀₁O₆]⁺ C54:4		(31)
	899.6900	[C₅₉H₉₅O₆]⁺ C56:10		(33)^a
	901.7332	[C₅₉H₉₇O₆]⁺ C56:9		(33)^a
	903.7392	[C₅₉H₉₉O₆]⁺ C56:8		(33)^a
	905.7576	[C₅₉H₁₀₁O₆]⁺ C56:7		(33)^a
	925.7477	[C₅₉H₉₉O₆Na]⁺ C56:8		(33)^a
	927.7972	[C₅₉H₁₀₁O₆Na]⁺ C56:7		(33)^a
	929.7967	[C₅₉H₁₀₃O₆Na]⁺ C56:6		(33)^a
	951.7453	[C₆₁H₁₀₀O₆Na]⁺ C58:4		(33)^a
	953.7298	[C₆₁H₁₀₂O₆Na]⁺ C58:4		(33)^a

Adapted from (25).

Represents the species assigned according to the LIPID MAPS structure database.