. Author manuscript; available in PMC: 2011 Mar 1.

Published in final edited form as: Anal Chem. 2010 Mar 1;82(5):1881–1889. doi: 10.1021/ac9026115

Table 1.

Phospholipids identified directly from tissue sections by accurate mass measurement and MS/MS analysis.

Class	Molecular species (C1 acyl chain/C2 acyl chain)	Ion type	m/z^a	Lithium induced MS/MS peaks^b	CCS (Å²)^c
SM	16:0	[M + H]⁺	703.575		212.4 ± 3.6
SM	18:0	[M + H]⁺	731.606		220.5 ± 4.1
		[M + Na]⁺	753.588		221.3 ± 4.3
		[M + K]⁺	769.562		222.7 ± 4.8
PC	32:0(16:0/16:0)	[M + H]⁺	734.569	425, 657, 478, 552, 429	215.3 ± 3.6
		[M + Na]⁺	756.551		217.4 ± 3.6
		[M + K]⁺	772.525		218.8 ± 4.3
PC	34:4	[M + H]⁺	754.537		217.6 ± 6.4
PC	34:2	[M + H]⁺	758.570		215.9 ± 4.0
		[M + Na]⁺	780.552		218.5 ± 4.2
SM	20:0	[M + H]⁺	759.638		223.8 ± 6.0
		[M + Na]⁺	781.619		226.5 ± 4.8
		[M + K]⁺	797.594		227.9 ± 5.6
PC	34:1(16:0/18:1)	[M + H]⁺	760.585	583, 451, 425, 577, 504, 478	218.4 ± 4.1
		[M + K]⁺	798.541		222.0 ± 4.7
PC	36:3	[M + H]⁺	784.584		224.6 ± 1.0
		[M + K]⁺	822.541		222.9 ± 1.6
PC	36:2(18:1/18:1)	[M + H]⁺	786.600	609, 451	224.0 ± 4.3
		[M + K]⁺	824.557		226.2 ± 4.8
PC	36:1(18:0/18:1)	[M + H]⁺	788.616	611, 451, 453	226.5 ± 4.7
PC	36:4(16:0/20:4)	[M + Na]⁺	804.551	629, 497, 425	221.3 ± 1.9
PC	38:6(16:0/22:6)	[M + H]⁺	806.570		220.6 ± 4.9
		[M + K]⁺	844.525		224.6 ± 4.8
SM	22:0	[M + Na]⁺	809.651		225.4 ± 4.2
		[M + K]⁺	825.625		228.2 ± 4.2
SM	24:1	[M + H]⁺	813.683		235.9 ± 6.6
		[M + Na]⁺	835.666		233.0 ± 4.8
		[M + K]⁺	851.640		240.5 ± 6.2
SM	24:0	[M + H]⁺	837.682		237.1 ± 5.7
		[M + Na]⁺	837.682		238.2 ± 6.2
		[M + K]⁺	853.656		241.2 ± 6.2
PC	38:5	[M + Na]⁺	830.567		222.2 ± 4.9
PC	38:4(18:0/20:4)	[M + Na]⁺	832.584	633, 473, 453	228.5 ± 5.4
		[M + K]⁺	848.556		230.0 ± 5.0
PC	42:1	[M + H]⁺	872.711		248.0 ± 6.9
		[M + K]⁺	910.664		249.2 ± 7.3
PC	42:0	[M + Na]⁺	896.709		244.6 ± 5.7

Data acquired by MALDI-FTICR mass spectrometer.

Fragment ions are arranged with the highest intensity ion (left) to lowest intensity ion in the MS/MS spectra (decimal values not included).

CCS values are reported as the average of 10 replicate measurements using phospholipids as internal calibrants (reported in table S1).