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. 2016 Jun 13;7:894. doi: 10.3389/fmicb.2016.00894

Table 2.

Compounds identified by GC–MS analysis in rapeseed root exudates.

Group Peak Closest compound Formula Molecular weight Characteristic fragments Spectra similarity (%)a
Acids 3 2-Butenoic acid C4H6O2 86 86, 69, 57, 53, 49, 45 91
4 Valeric acid C5H10O2 102 73, 60, 55, 45, 43, 42, 41, 39 83
6 2-Pentenoic acid C5H8O2 100 100, 55, 57, 45, 43, 41, 39 90
15 Nonanoic acid C9H18O2 158 129, 115, 98, 73, 60, 55 80
22 n-Hexadecanoic acid C16H32O2 256 256, 213, 129, 73, 43 98
21 9-Hexadecenoic acid C16H30O2 254 254, 236, 97, 83, 69, 55, 41 96
Esters 2 Methyl thiocyanate C2H3NS 73 73, 58, 49, 47, 45 90
7 Cyclohexyl isocyanate C7H11NO 125 125, 97, 82, 67, 41 93
13 Cyclohexyl isothiocyanate C7H11NS 141 141, 83, 55 87
24 Linoleic acid ethyl ester C20H36 O2 308 308, 263, 123, 109, 95, 81, 67, 55, 41 99
Ketones 5 2-Heptanone C7H14O 114 114, 99, 71, 58, 43, 39 80
14 1-(4-Ethylphenyl)-ethanone C10H12O 148 148, 133, 105, 97
Aldehydes 1 3-Methyl butyraldehyde C5H10O 86 86, 71, 58, 55, 44, 41, 38 86
10 Nonanal C9H18O 142 124, 119, 98, 82, 57, 41 80
Nitrogen-containing compounds 12 Benzothiazole C7H5NS 135 135, 108, 91 83
19 2-(Methylthio)benzothiazole C8H7NS2 181 181, 148, 136, 108, 69 95
26 9-Octadecenamide C18H35NO 281 281, 126, 98, 72, 59, 41 99
Alkanes 8 Decane C10H22 142 142, 113, 85, 71, 57, 43 94
9 Undecane C11H24 156 156, 85, 71, 57, 43, 39 90
11 Dodecane C12H26 170 170, 85, 71, 57, 43, 39 94
16 Tetradecane C14H30 198 198, 155, 85, 71, 57, 43 96
18 Hexadecane C16H34 226 226, 85, 71, 57, 43 87
20 Octadecane C18H38 254 254, 99, 85, 71, 57, 43 98
23 Eicosane C20H42 282 282, 99, 85, 71, 57 98
25 1-Docosene C22H44 308 125, 111, 97, 83, 69, 55, 43 99
Indoles 17 4-Methoxyindole C9H9NO 147 147, 132, 104 94

aSpectra similarity compared with mass spectrum of the reference compounds stored in Wiley71.1 (%).