Table 3.
Peak | Rt (min) | Area (%) | Assignment | MW (Da) | Qual |
---|---|---|---|---|---|
2 | 11.842 | 0.92 | geranyl acetate or 2,6-octadien-1-ol, 3,7-dimethyl-, acetate (stereoisomers) | 196.3 | 90; 86 |
3 | 17.154 | 1.03 | bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1α,2β,5α) (also named trans-pinane) | 138.3 | 90 |
6 | 18.405 | 4.94 | tetradecanoic acid | 228.4 | 93 |
7 | 19.666 | 1.07 | heneicosane; hexacosane | 296.6; 366.7 | 98; 92 |
11 | 21.458 | 17.61 | eicosane; hexadecane, 2,6,10,14-tetramethyl-; heptadecane | 282.5; 282.5; 240.5 | 97; 97; 96 |
13 | 23.060 | 3.36 | heneicosane; pentacosane | 296.6; 352.7 | 96; 93 |
17 | 24.608 | 16.87 | tetradecanoic acid, 2-hydroxy-, methyl ester (or methyl 2-hydroxy tetradecanoate) | 258.4 | 93 |
18 | 25.095 | 1.66 | tetracosane; heptadecane, 9-octyl-; tricosane, 2-methyl- | 338.7; 352.7; 338.7 | 93; 93; 86 |
19 | 25.309 | 1.26 | 1,2-tetradecanediol | 230.4 | 64 |
20 | 25.538 | 2.35 | squalene | 410.7 | 98 |
21 | 25.592 | 1.21 | pentacosane, 13-undecyl-; heneicosane, 3-methyl- | 507; 310.6 | 52; 38 |
22 | 25.708 | 0.90 | octacosane; hexacosane | 394.8; 366.7 | 99; 98 |
23 | 26.025 | 14.37 | 1,2-tetradecanediol | 230.4 | 90 |
28 | 27.252 | 1.13 | γ-tocopherol | 416.7 | 98 |
29 | 27.554 | 1.23 | fumaric acid, 3,5-difluorophenyl dodecyl ester; Z-14-nonacosane | 396.5; 406.8 | 68; 64 |
30 | 27.607 | 3.19 | octacosyl trifluoroacetate; tetratriacontyl pentafluoropropionate | 506.8; 640.9 | 38; 38 |
31 | 27.992 | 5.56 | vitamin E; dl-α-tocopherol | 430.7; 430.7 | 99; 99 |
33 | 29.112 | 1.74 | campesterol | 400.7 | 62 |
34 | 30.173 | 8.83 | γ-sitosterol; β-sitosterol | 414.7; 414.7 | 99; 95 |
35 | 31.166 | 1.59 | 2-ethylacridine | 207.3 | 90 |
Rt: retention time; MW: molecular weight; Qual: percentage of similarity between the molecules present in the sample and those registered in the NIST11 library. When more than one possible assignment is indicated, MW and Qual values for each of the compounds are separated by a semicolon.