. Author manuscript; available in PMC: 2016 Jan 1.

Published in final edited form as: Biochim Biophys Acta. 2014 May 4;1851(1):19–29. doi: 10.1016/j.bbalip.2014.04.008

Table 1.

List of identified lipidomics markers

No.	Metabolites Name	MF	Retention time, M+H
1	LPC 16:0	C₂₄H₅₀NO₇P	1.4873, 496.3403
2	LPC 18:0	C₂₆H₅₄NO₇P	2.1969, 524.3711
3	LPC 18:1	C₂₆H₅₂NO₇P	1.5914, 522.3554
4	LPC 18:2	C₂₆H₅₀NO₇P	1.2159, 520.3404
5	PC 16:0–20:4	C₄₄H₈₀NO₈P	9.7434, 782.5695
6	PC 16:0–22:6	C₄₆H₈₀NO₈P	9.0373, 806.5699
7	SM 16:0	C₃₉H₇₉N₂O₆P	8.584, 703.5749

The most significant seven ions based on PLS-DA models were identified by tandem mass spectrometry and retention time comparisons with authentic standards.

Abbreviations: MF, molecular formula.