Table 1.
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.