Table 3. Compounds identified by LC-MS/MS and their characteristic fragments.

Compound name	Mass (Da)	Molecular formula	Mass error (ppm)	Fragments
(4,8,10-d18:3) Sphingosine	295.2511	C18H33NO2	2	57.07, 81.07, 95.08, 121.10, 162.10, 204.11, 222.12, 279.23
Allantoic acid	176.0546	C4H8N4O4	10	43.06, 60.06, 70.06, 71.05, 116.07, 130.09, 134.08, 175.19, 176.10, 177.10
Aspartyl-leucine	246.1216	C10H18N2O5	15	70.03, 86.09, 132.10, 141.10, 155.11, 201.12, 247.13
Bis(glutathionyl)spermine	780.3622	C30H56N10O10S2	13	70.06, 72.08, 86.09, 104.10, 143.03, 158.96, 184.07, 522.75
C17 Sphinganine	287.2824	C17H37NO2	4	69.07, 90.05, 121.10, 164.87, 194.98, 196.97, 227.19, 254.25, 272.25
Glycerophosphocholine	257.1028	C8H20NO6P	1	60.08, 86.09, 104.11, 104.18, 105.11, 124.99, 184.07, 258.11
Lauric acid	200.1776	C12H24O2	1	29.04, 41.04, 43.05, 55.05, 57.07, 69.07, 71.08, 89.06, 103.07, 117.09, 131.10, 151.86, 172.86, 183.85, 201.12
Lauric Acid ethyl ester	228.2089	C14H28O2	1	43.05, 57.07, 71.09, 89.06, 103.07, 117.09, 229.22
Linolenic Acid	278.2246	C18H30O2	0	55.06, 67.06, 81.07, 95.09, 109.10, 123.12, 137.13, 173.13, 279.23
Myristic Acid ethyl ester	256.2402	C16H32O2	1	43.05, 57.07, 71.09, 89.06, 103.07, 117.09, 257.25
Norleucine	131.0946	C6H13NO2	19	30.03, 41.04, 42.04, 43.06, 44.05, 57.07, 69.07, 86.09, 130.16, 131.16, 132.09
Palmitic Acid ethyl ester	284.2715	C18H36O2	3	41.04, 43.06, 55.06, 57.07, 69.07, 71.09, 85.10, 89.06, 95.09, 103.08, 117.09, 135.12, 149.13, 173.15, 201.19, 229.21
Phosphocholine	183.0660	C5H14NO4P	2	45.04, 60.08, 86.1, 98.98, 124.99, 184.07
Phytosphingosine	317.2930	C18H39NO3	3	41.04, 55.02, 71.05, 95.05, 113.06, 135.11, 171.10, 219.17, 252.26, 282.27, 300.28, 318.30