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. 2020 Oct 23;12(11):3238. doi: 10.3390/nu12113238

Table 1.

Chemical characterization of LJWE constituents using ultra-performance liquid chromatography-tandem mass spectrometry.

No Rt (min) Calculated (m/z) Estimated (m/z) Adduct Error (ppm) Formula MS/MS Fragments (m/z) Identifications
Amino acids
1 2.2 132.102 132.102 [M + H]+ 2.683 C6H13NO2 86 L-Leucine/Isoleucine *
2 3.6 166.086 166.087 [M + H]+ 2.284 C9H11NO2 166, 120 Phenylalanine *
3 4.8 205.097 205.098 [M + H]+ 1.948 C11H12N2O2 188, 159, 146 L-Tryptophan *
Fatty acid derivatives
4 18.6 319.228 319.228 [M − H] 1.736 C20H32O3 319, 301, 257, 219, 175, 113 15-Hydroxy-5,8,11,13
-eicosatetraenoic acid *
5 20.0 275.202 275.202 [M − H] 2.033 C18H28O2 275, 231 Stearidonic acid *
6 20.6 301.217 301.218 [M − H] 1.673 C20H30O2 301, 257, 203 Eicosapentaenoic acid *
7 20.7 277.217 277.218 [M − H] 1.928 C18H30O2 277 Linolenic acid *
8 21.2 256.263 256.264 [M + H]+ 1.305 C16H33NO 256, 116, 102, 88 Hexadecanamide
9 21.3 303.233 303.234 [M − H] 2.083 C20H32O2 303, 259 Arachidonic acid *
10 21.4 282.279 282.280 [M + H]+ 2.069 C18H35NO 282, 265, 247, 177, 149, 135 Oleamide
11 21.5 279.233 279.234 [M − H] 1.934 C18H32O2 279 Linoleic acid *
12 21.9 284.294 284.295 [M + H]+ 1.430 C18H37NO 284, 88 Stearamide
13 22.2 255.233 255.233 [M − H] 1.458 C16H32O2 255 Palmitic acid *
14 23.3 283.264 283.265 [M + H]+ 1.838 C18H36O2 283 Stearic acid *

Rt, retention time. * Compared with retention time (Rt) and the mass spectrum of reference standards.