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No. | RT | Chemical constituents | Area%/peak area (in million) | MW | MF | Identification |
S1 | S2 | S3 | S4 | S5 | S6 | S7 | S8 | S9 | S10 | S11 |
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1 | 7.23 | Benzaldehyde, 2-nitro-4-trimethylsilyl- | — | 0.16/18 | — | — | 0.13/09 | 0.1/05 | — | — | — | — | 1.42/51 | 223 | C10H13NO3Si | Aromatic aldehyde |
2 | 11.56 | 2-(O-Trimethylsilyloxyphenyl)-1- | — | 0.21/23 | — | — | — | — | — | — | — | — | 1.12/40 | 282 | C14H26O2Si2 | Silane derivative |
3 | 16.06 | Silane, 1,6-heptadiyne-1,7-diylbis[trimethyl- | — | 1.02/143 | — | — | 2/145 | — | — | 3.85/194 | — | — | — | 236 | C13H24Si2 | Silane derivative |
4 | 16.36 | Cyclohexasiloxane, dodecamethyl- | — | — | — | — | — | 3.1/168 | — | — | 0.45/144 | 1.83/79 | 4.82/175 | 444 | C12H36O6Si6 | Siloxane derivative |
5 | 18.15 | 3-(1-Methyl-2-pyrrolidinyl)-,(S) pyridine | 64.91/31716 | 27.15/3034 | 8.94/1497 | 0.16/67 | 33.15/2412 | 12.17/659 | 38.29/3388 | 32.58/1766 | 0.65/209 | 3.48/152 | 2.6/94 | 162 | C10H14N2 | Pyridine derivative |
6 | 20.35 | Octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadecamethyl- | 3.30/1072 | 11.79/1363 | 8.11/1687 | 4.22/1716 | 18.01/1309 | 31.14/1649 | 8.74/765 | 17.21/901 | 1.76/505 | 36.52/1590 | 30.23/1112 | 578 | C16H50O7Si8 | Siloxane derivative |
7 | 21.49 | (1′s,2′s)-Nicotine-N′-oxide | 0.12/10 | 3.04/339 | 1.55/258 | 0.24/97 | 0.19/14 | 0.77/41 | 3.64/322 | 0.56/30 | 0.30/95 | 0.82/35 | 0.62/33 | 178 | C10H14N2O | Nicotine oxide, alkaloid |
8 | 21.65 | 3-(1-Methyl-1H-pyrrol-2-yl)- pyridine | 3.82/1868 | — | — | — | — | — | — | — | — | — | — | 158 | C10H10N2 | Pyridine derivative |
9 | 26.97 | Cotinine | 1.61/788 | — | 0.94/157 | | — | — | 0.93/82 | — | — | — | — | 176 | C10H12N2O | Alkaloid, an analog of nicotine |
10 | 27.55 | Cyclononasiloxane, octadecamethyl- | — | — | — | — | — | 2.54/137 | — | — | — | — | — | 666 | C18H54O9Si9 | Siloxane derivative |
11 | 28.67 | Tetracyclo[4.4.1.1(7,10).0(2,5)]dodec-3-en-11-ol | 1.01/494 | — | — | — | — | — | — | — | — | — | — | 176 | C12H16O | A tetracyclic alkene |
12 | 29.27 | 3,7,11,15-Tetramethyl-2-hexadecen-1-ol | — | 0.25/28 | 0.17/28 | — | 1.23/89 | — | 0.35/31 | 0.51/27 | 0.60/193 | — | — | 296 | C20H40O | Higher alkene |
13 | 31.10 | Hexadecanoic acid, methyl ester | 0.23/110 | 1.52/63 | 9.06/1517 | 7.3/2993 | 1.67/121 | 1.09/59 | 0.1/04 | 0.12/05 | 16.48/534 | 0.61/26 | 0.1/04 | 270 | C17H34O2 | Fatty acid ester |
14 | 32.41 | Hexadecanoic acid, ethyl ester (palmitic acid ester) | 0.1/34 | 3.62/404 | 2.81/470 | 19.0/8024 | 0.11/05 | 0.4/02 | 0.11/10 | 0.14/09 | 2.18/705 | 0.85/36 | 0.29/10 | 284 | C18H36O2 | Fatty acid ester |
15 | 34.98 | 9-Octadecenoic acid (Z)-, methyl ester or 9,12-octadecadienoyl chloride, (Z,Z)- | 0.12/54 | 2.35/45 | 15/2112 | 3.91/1605 | 0.63/45 | 0.56/30 | 0.77/67 | 0.1/04 | 0.22/71 | 4.40/159 | 1.58/57 | 296 | C19H36O2 | Fatty acid ester |
16 | 35.11 | 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- | — | — | — | — | 3.16/229 | — | — | 1.77/95 | — | — | — | 292 | C19H32O2 | Fatty acid ester |
17 | 35.32 | Phytol | — | — | — | — | 1.01/73 | 0.26/13 | 0.5/44 | 0.75/40 | — | 0.2/08 | — | 296 | C20H40O | Diterpenol |
18 | 35.76 | Octadecanoic acid, methyl ester | 0.24/119 | 0.61/68 | 1.35/225 | 1.3/533 | — | 0.32/17 | — | — | 2.78/899 | 0.26/11 | — | 298 | C19H38O2 | Fatty acid ester |
19 | 36.78 | 9,12-Octadecadienoic acid (Z,Z)-methyl ester | — | 1.55/173 | 2.81/469 | 1.26/583 | — | — | — | — | — | — | — | 280 | C18H32O2 | Fatty acid ester |
20 | 36.85 | 9,12-Octadecadienoic acid, ethyl ester | — | 1.55/173 | — | 3.65/1498 | — | — | — | — | 0.57/183 | — | — | 308 | C20H36O2 | Fatty acid ester |
21 | 37.03 | Ethyl oleate | — | 4.21/470 | 2.77/464 | 18.52/7600 | — | — | — | — | 2.03/657 | — | — | 310 | C20H38O2 | Fatty acid ester |
22 | 37.89 | Octadecanoic acid, ethyl ester | — | 0.74/82 | 0.46/76 | 3.21/1315 | — | — | — | — | | — | — | 312 | C20H40O2 | Fatty acid ester |
23 | 40.81 | Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester | 0.6/295 | — | 3.77/630 | 6.49/2664 | — | — | — | — | 6.97/8740 | — | — | 330 | C19H38O4 | Fatty acid ester |
24 | 42.53 | 7-Methyl-Z-tetradecen-1-ol acetate | — | — | — | 3.66/1500 | — | — | — | — | | — | — | 268 | C17H32O2 | Fatty acid ester |
25 | 43.68 | cis-10-Heptadecenoic acid | — | — | — | 2.43/995 | — | — | — | — | | — | — | 268 | C17H32O2 | Higher acid |
26 | 45.73 | 1,2-Benzenedicarboxylic acid, diisooctyl ester | 8.17/3992 | 16.1/2179 | 6.78/484 | 2.41/990 | 5.22/379 | 7.83/424 | 3.83/339 | 9.15/496 | 2.98/967 | 13.33/582 | 14.76/536 | 390 | C24H38O4 | Phthalic acid ester |
27 | 48.5 | Oleic acid, trimethylsilyl ester | — | — | — | — | — | — | — | — | 1.41/458 | — | 0.19/06 | 354 | C21H42O2Si | Fatty acid ester |
28 | 48.69 | 9-Octadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester | — | — | 5.91/756 | 1.35/145 | — | — | — | — | 10.78/3494 | — | — | 356 | C21H40O4 | Fatty acid ester |
29 | 51.02 | 7-Hexyl-eicosane | — | — | — | — | 1.18/69 | — | 1.84/162 | — | — | — | — | 366 | C26H54 | Higher alkane |
30 | 51.08 | Hentriacontane | — | 0.72/80 | — | — | — | — | 3.26/286 | — | 4.84/1566 | — | — | 437 | C31H64 | Higher alkane |
31 | 52.69 | Tetracosane, 11-decyl- | — | — | 0.76/126 | — | — | — | 1/88 | — | 2.45/796 | — | — | 479 | C34H70 | Higher alkane |
32 | 57.71 | Ethyl iso-allocholate | — | 1.01/112 | — | — | — | 0.54/29 | 0.83/73 | — | 0.24/77 | — | 0.25/09 | 436 | C26H44O5 | Steroid |
33 | 58.22 | Stigmasterol | — | 1.99/222 | 1.52/255 | — | — | — | 2.55/225 | — | 0.87/283 | — | — | 412 | C29H48O | Phytosterol |
34 | 59.47 | Sitosterol | 0.11/32 | 1.35/150 | 1.19/198 | 0.21/85 | 1.29/93 | 0.13/11 | 2.19/193 | 1.65/89 | 0.48/157 | 2.37/103 | 0.1/21 | 414 | C29H50O | Phytosterol |
35 | 66.26 | 1-Monolinoleoylglycerol trimethylsilyl ether | 0.67/325 | 0.12/48 | 4.1/671 | 0.81/330 | 4.91/479 | 8.67/445 | 4.73/413 | 4.93/257 | 1.07/345 | 7.90/338 | 4.2/147 | 498 | C27H54O4Si2 | Silane derivative |
36 | 70.32 | Hexasiloxane, tetradecamethyl- | — | — | — | — | 1.32/131 | — | — | — | — | — | — | 458 | C14H42O5Si6 | Siloxane derivative |
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