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. 2022 Dec 20;46(2):279–296. doi: 10.1007/s00449-022-02833-6

Table 2.

Compounds identified in D. simplex ChlE by GC–MS

No Name of compound Rt BP M+ MF Area%
I. Straight chain hydrocarbon
1 Heptadecane 26:47 57 240 C17H36 0.58
2 Nonadecane 30:66 57 268 C19H40 0.39
3 Octacosane 37:68 57 394 C28H58 0.97
4 Nonacosane 39:46 57 408 C29H60 1.25
5 Triacontane 41:04 57 422 C30H62 1.84
6 Hentriacontane 43:15 57 436 C31H64 3.00
7 Dotriacontane 45:38 57 450 C32H66 4.19
8 Tritriacontane 48:03 57 464 C33H68 3.78
9 Tetratriacontene 50:05 55 476 C34H68 1.90
10 Tetratriacontane 51:76 57 478 C34H70 3.90
11 Hexatriacontane 53:18 57 506 C36H74 0.81
Total identified straight chain hydrocarbon 22.61
II. Branched hydrocarbons
12 Methyl octadecane 29:44 57 268 C19H40 0.36
13 5-Methyl-5-docosene 32:19 55 322 C23H46 0.31
14 Methyldocosane 33:27 57 324 C23H48 0.66
15 13-Methylheptacosane 36:15 57 394 C28H58 0.51
16 Methylhentriacontane 43:99 57 450 C32H66 4.01
17 Methyldotriacontane 46:73 57 464 C33H68 4.30
18 Methyl-tritriacontane 49:30 57 478 C34H70 3.17
Total identified branched hydrocarbons 13.32
III. Oxygenated hydrocarbons
A. Esters
19 Diisobutyl phthalate 29:74 149 278 C16H22O4 1.16
20 Methylhexadecanoate 31:10 74 270 C17H34O2 0.74
21 Butyl hex-3-yl phthalate 31:61 149 306 C18H26O4 1.85
22 Ethylnonadecanoate 32:39 88 326 C21H42O2 0.58
23 2,3-Dihydroxypropyl (Z)-octadec-9-enoate 35:13 55 356 C21H40O4 8.07
24 Tributyl acetylcitrate 36:29 185 402 C20H34O8 0.73
25 Didecan-2-yl phthalate 41:45 149 446 C28H46O4 2.69
Total identified esters 15.82
B. Ketones
26 Nonalactone 9:16 99 156 C9H16O2 0.41
27 4-Hydroxydecan-5-one 17:83 69 172 C10H20O2 4.55
Total identified ketones 4.96
C. Acids
28 Tetradecanoic acid 27:76 73 228 C14H28O2 1.03
29 Octadecadienoic acid 31:40 81 280 C18H32O2 1.40
30 9-Octadecenoic acid 31:88 55 282 C18H34O2 16.47
31 Tricosanoic acid 33:85 73 354 C23H46O2 0.66
32 Lignoceric acid 35:48 73 368 C24H48O2 1.59
Total identified acids 21.15
D. Sterols
33 Cholesterol benzoate 49:86 105 490 C34H50O2 3.57
34 Fucosterol 52:35 314 412 C29H48O 2.67
Total identified sterols 6.24
IV Terpenoidal compounds
35 Squalene 45:53 69 410 C30H50 0.68
36 Neophytadiene 29:33 95 278 C20H38 0.41
Total identified terpenoidal compounds 1.09
V. Miscellaneous compounds
37 Crotetamide 28:15 69 226 C12H22N2O2 1.13
38 6-Tetradecanesulfonic acid, butyl ester 34:39 67 334 C18H38O3S 0.38
39 2-Chloroethyl linoleate 34:93 67 342 C20H35ClO2 0.78
Total miscellaneous compounds 2.29
Total Identified Constituents 87.48