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. 2013 Jun 20;13(6):7939–7978. doi: 10.3390/s130607939

Table 6S.

A list of individual VOC determined by the TD-GC-MS system from all strawberry samples throughout the study period.

Order Compounds MW Formula Concentration Odor threshold Averaged Similarity * (%)
ppb (μg m−3)
(g mole−1) SRD-0 SRD-1 SRD-3 SRD-6 SRD-9 SRD-0 SRD-1 SRD-3 SRD-6 SRD-9 (ppbv) (μg m3) Reference
A. Ester (61)
1 Methyl acetate 74 C3H6O2 3,949 3,875 71,077 1.57 0.75 11,945 11,720 214,987 4.76 2.28 1,700-6,170 5,142- b, c 98.4
2 Ethyl acetate 88 C4 H8 O2 4,793 4,277 134,969 130.0 11.80 17,240 15,384 485,476 467 42.5 610-329 1,183-9,460 a, b, c, e 98.8
3 Methyl propionate 88 C4H8O2 40.8 51.0 23.6 0.17 0.009 147 183 85.0 0.63 0.031 98 352 b 97.8
4 S-Methyl thioacetate 90 C3 H6 O S 94.2 130 0.031 0.031 0.031 346 475.8 0.113 0.113 0.113 1.6 5.9 a 97.0
5 Methyl trans-crotonate 100 C5 H8 O2 2.77 3.16 8.51 0.005 0.005 11.3 12.9 34.8 0.021 0.021 92.0
6 Isopropyl acetate 102 C5H10O2 52.8 16.7 27.5 0.005 0.005 220 69.5 114.5 0.021 0.021 290-2,400 1,209- a, b, c 98.3
7 Methyl isobutyrate 102 C5H10O2 0.005 0.005 0.005 0.43 0.005 0.021 0.021 0.021 1.77 0.021 1.9 10,006 7.9 b 91.0
8 Ethyl propionate 102 C5 H10 O2 52.7 0.005 53.5 0.005 0.005 219.8 0.022 223 0.022 0.022 7 29 b 98.5
9 Propyl acetate 102 C5 H10 O2 0.005 0.005 185 0.72 0.005 0.022 0.022 769 3.02 0.022 568-960 2,367-4,002 a, b, c 97.5
10 Methyl butyrate 102 C5 H10 O2 1194 1,384 88.8 0.47 0.005 4,977 5,772 370 1.95 0.022 2.8-7.1 12-30 a, b 98.0
11 Ethyl crotonate 114 C6 H10 O2 7.13 4.49 26.2 0.003 0.003 33.22 20.91 122 0.016 0.016 95.7
12 Methyl tiglate 114 C6H10O2 0.003 0.003 1.26 0.003 0.003 0.016 0.016 5.88 0.016 0.016 95.0
13 Ethyl isobutyrate 116 C6 H12 O2 3.80 1.29 8.57 0.86 0.003 18.0 6.11 40.6 4.07 0.016 0.22 0.10 b 95.0
14 Methyl 2-methylbutanoate 116 C6H12O2 21.8 21.7 13.2 1.08 0.003 104 103 62.7 5.14 0.016 0.1 0.5 a 97.3
15 Isobutyl acetate 116 C6H12O2 9.11 7.00 88.9 1.86 0.003 43.2 33.2 421 8.80 0.016 8-479 38-2,271 b, c 98.0
16 Methyl isovalerate 116 C6 H12 O2 54.8 56.9 7.78 0.003 0.003 260 270 36.9 0.016 0.016 1.1-2.2 5.2-10 a, b 97.7
17 Ethyl butyrate 116 C6 H12 O2 1,537 1,142 171 1.50 0.003 7,290 5,415 812 7.10 0.017 0.04-0.2 0.19-1.2 a, b 97.5
18 Butyl acetate 116 C6 H12 O2 34.2 36.5 26.4 0.05 0.003 162 173 125 0.24 0.017 10.7-195 50.9-925 a, b, c 93.0
19 Methyl valerate 116 C6 H12 O2 3.91 1.74 0.003 0.003 0.003 18.5 8.26 0.017 0.017 0.017 2.2 10 b 95.5
20 S-Methyl thiobutyrate 118 C5H10OS 0.006 4.47 0.006 0.006 0.006 0.027 21.57 0.027 0.027 0.027 92.0
21 Methyl 2-vinylbutanoate 128 C7 H12 O2 0.77 0.003 0.003 0.003 0.003 4.03 0.013 0.013 0.013 0.013 96.0
22 4-Penten-1-yl acetate 128 C7 H12 O2 2.65 0.80 3.74 0.003 0.003 13.8 4.20 19.6 0.014 0.014 91.3
23 Ethyl tiglate 128 C7H12O2 0.002 1.41 16.6 0.002 0.002 0.013 7.40 86.7 0.013 0.013 94.5
24 cis-2-Penten-1-yl acetate 128 C7 H12 O2 4.96 0.003 0.003 0.003 0.003 25.95 0.013 0.013 0.013 0.013 91.0
25 Prenyl acetate 128 C7H12O2 0.48 2.83 0.002 0.002 0.002 2.52 14.81 0.013 0.013 0.013 96.0
26 Methyl (2E)-2-hexenoate 128 C7H12O2 1.66 0.89 0.66 0.003 0.003 8.66 4.68 3.44 0.013 0.013
27 Isopropyl butyrate 130 C7H14O2 30.7 25.9 0.002 0.002 0.002 163.0 137.8 0.013 0.013 0.013 6.2 33 b 93.5
28 Ethyl 2-methylbutyrate 130 C7H14O2 63.0 23.8 66.3 3.13 0.002 335 126 352 16.6 0.013 0.07 0.36 a 97.0
29 Ethyl isovalerate 130 C7 H14 O2 142 67.2 36.1 0.70 0.002 753 357 192 3.73 0.013 0.013-0.09 0.069-0.47 a, b 96.3
30 Isoamyl acetate 130 C7 H14 O2 81.3 69.1 165 1.21 0.002 432 367.15 878 6.43 0.013 3.8 20 e 98.0
31 Ethyl valerate 130 C7 H14 O2 7.31 1.73 0.003 0.003 0.003 38.83 9.22 0.013 0.013 0.013 0.11-0.33 0.58-1.78 a, b 96.5
32 Methyl 4-methylvalerate 130 C7H14O2 2.58 0.96 0.002 0.002 0.002 13.72 5.09 0.013 0.013 0.013 94.5
33 Methyl hexanoate 130 C7 H14 O2 469 185 11.36 0.003 0.003 2,492 982 60.34 0.013 0.013 15.6 82.8 a 97.0
34 3-Methyl-2-butyl acetate 130 C7 H14 O2 0.002 0.002 0.48 0.002 0.002 0.013 0.013 2.55 0.013 0.013 93.0
35 Hex-5-enoic acid, ethyl ester 142 C8H14O2 1.31 0.002 0.002 0.002 0.002 7.62 0.011 0.011 0.011 0.011 92.0
36 cis-3-Hexenyl acetate 142 C8 H14 O2 2.43 0.002 0.002 0.002 0.002 14.1 0.011 0.011 0.011 0.011 3.3 19 a 95.0
37 (4E)-4-Hexenyl acetate 142 C8H14O2 5.41 2.68 0.002 0.002 0.002 31.4 15.5 0.011 0.011 0.011 91.0
38 trans-2-Hexenyl acetate 142 C8 H14 O2 38.6 1.78 0.002 0.002 0.002 224 10.4 0.011 0.011 0.011 42.8 249 a 92.0
39 Ethyl 2-hexenoate 142 C8H14O2 3.29 1.24 0.002 0.002 0.002 19.1 7.21 0.011 0.011 0.011 95.5
40 Methyl amyl acetate 144 C8 H16 O2 0.002 0.002 0.37 0.002 0.002 0.011 0.011 2.16 0.011 0.011 93.0
41 Isobutyl butyrate 144 C8H16O2 0.002 1.13 0.91 0.002 0.002 0.011 6.65 5.35 0.011 0.011 1.6 9.4 b 93.5
42 Propyl isovalerate 144 C8H16O2 0.39 0.48 0.75 0.002 0.002 2.29 2.85 4.40 0.011 0.011 0.056 0.330 b 91.0
43 Butyl butylate 144 C8 H16 O2 0.78 1.37 0.002 0.002 0.002 4.60 8.08 0.011 0.011 0.011 4.8-22.1 28-130 a, b 96.5
44 Ethyl hexanoate 144 C8H16O2 725 137 20.9 0.03 0.002 4,270 808 123 0.16 0.011 0.2 1.2 a 97.0
45 Hexyl acetate 144 C8H16O2 110 25.5 4.70 0.002 0.002 647 150 27.7 0.011 0.011 2 12 a 97.7
46 Valeric acid, thio-, S-ethyl ester 146 C7 H14 O S 0.89 0.003 0.003 0.003 0.003 5.29 0.015 0.015 0.015 0.015 95.0
47 Ethyl 3-hydroxy-3-methylbutanoate 146 C7 H14 O3 0.002 0.002 0.002 0.04 0.002 0.012 0.012 0.012 0.21 0.012 97.0
48 Ethyl benzoate 150 C9H10O2 0.39 0.002 0.002 0.02 0.002 2.37 0.009 0.009 0.15 0.009 90.0
49 Isobutyl isovalerate 158 C9H18O2 0.001 0.001 0.33 0.001 0.001 0.009 0.009 2.15 0.009 0.009 5.2 34 b 94.0
50 Neopentyl butyrate 158 C9H18O2 0.001 0.59 0.001 0.001 0.001 0.009 3.78 0.009 0.009 0.009 93.0
51 Isoamyl butyrate 158 C9 H18 O2 1.58 1.53 0.001 0.001 0.001 10.2 9.87 0.009 0.009 0.009 94.0
52 Heptyl acetate 158 C9H18O2 0.29 0.001 0.001 0.001 0.001 1.85 0.010 0.010 0.010 0.010 91.0
53 Methyl octanoate 158 C9 H18 O2 5.84 0.88 0.001 0.001 0.001 37.7 5.710 0.010 0.010 0.010 36.7 237 a 95.5
54 Octyl acetate 172 C10 H20 O2 0.55 0.001 0.001 0.001 0.001 3.86 0.008 0.008 0.008 0.008 95.0
55 Hexyl butyrate 172 C10H20O2 0.52 0.001 0.001 0.001 0.001 3.65 0.008 0.008 0.008 0.008 92.0
56 Ethyl octanoate 172 C10H20O2 4.55 0.001 0.001 0.001 0.001 32.0 0.008 0.008 0.008 0.008 94.0
57 Octyl acetate 172 C10H20O2 1.25 0.001 0.001 0.001 0.001 8.80 0.008 0.008 0.008 0.008 91.0
58 Cyclopentanecarboxylic acid, decyl ester 254 C16H30O2 0.0005 0.0005 0.0005 0.0005 0.0555 0.0049 0.0049 0.0049 0.005 0.58 92.0
59 2-(Dodecyloxy)ethyl acetate 272 C16H32O3 0.0004 0.0004 0.11 0.0004 0.0004 0.0047 0.0047 1.21 0.005 0.0047 92.0
60 Linalylanthranilate N-(tert-butoxycarbonyl)-glycyl- 273 C17 H23 N O2 0.44 0.0004 0.0004 0.0004 0.0004 4.95 0.0044 0.0044 0.004 0.0044 93.0
61 glycin-imidthiosaure-s-ethylester 275 C11H21N3O3S 0.001 0.001 0.001 0.05 0.03 0.008 0.008 0.008 0.58 0.39 92.5
Σconcentration (ester) 52,648 42,713 705,447 533 45.7
B. Alcohol (21)
62 Ethyl alcohol 46 C2H6O 0.037 0.037 309 48,685 1,417 0.070 0.070 580 91,537 2,665 520-28,800 978-54,150 b, c 95 .6
63 Isopropyl Alcohol 60 C3H8O 8.76 4.58 45.3 92.8 278 21.5 11.2 111 228 680.73 10,200- 25,015- b, c 95.6
64 n-Propyl alcohol 60 C3 H8 O 0.014 0.014 30.40 46.6 36.1 0.035 0.035 74.54 114.4 88.51 94-2,400 231-5,886 b, c 94.3
65 sec-Butyl alcohol 74 C4 H10 O 0.007 0.007 0.007 0.56 0.55 0.022 0.022 0.022 1.70 1.65 220-1,700 665-5,142 b, c 93.5
66 Isobutyl alcohol 74 C4 H10 O 0.007 0.007 31.84 95,136 319.8 0.021 0.021 96.30 287,758 967 11-832 33-2,517 b, c 97.7
67 n-Butyl alcohol 74 C4H10O 0.008 2.40 8.78 0.86 0.37 0.023 7.26 26.6 2.61 1.12 490-26,000 1,482- b, c 96.3
68 1-Penten-3-ol 86 C5 H10 O 0.005 0.005 0.61 0.005 0.005 0.017 0.017 2.13 0.017 0.017 94.0
69 Isopropenylethyl alcohol 86 C5H10O 0.005 0.005 0.005 2.41 4.47 0.017 0.017 0.017 8.48 15.7 2,500 8,788 e 96.0
70 3-Methyl-1-butanol 88 C5 H12 O 1.09 1.28 50.7 26.9 43.4 3.91 4.61 182.26 96.9 156 2-45 6-161 b, c 93.2
71 2-Methyl-1-butanol 88 C5 H12 O 0.005 0.005 0.005 9.48 19.6 0.017 0.017 0.017 34.12 70.50 41 147 e 98.0
72 n-Pentanol 88 C5 H12 O 0.005 0.005 0.005 0.99 0.86 0.017 0.017 0.017 3.57 3.10 100-468 360-1,683 b, c 96.0
73 1-Chloro-2-propanol 94 C3 H7 CL O 20.03 80.3 0.009 0.009 0.009 77.0 309 0.034 0.034 0.034 1,000 3,842 f 93.0
74 3-Methylpentanol 102 C6 H14 O 0.003 0.003 0.003 0.05 0.34 0.013 0.013 0.013 0.22 1.41 93.0
75 n-Hexanol 102 C6 H14 O 0.52 0.003 1.16 0.15 1.08 2.17 0.014 4.83 0.63 4.51 1.1-43.7 4.6-182 b, c, e 92.8
76 2-Heptanol 116 C7 H16 O 0.002 0.002 0.002 0.42 0.17 0.011 0.011 0.011 2.01 0.81 93.5
77 Phenethyl alcohol 122 C8 H10 O 0.002 0.002 0.002 0.15 0.13 0.010 0.010 0.010 0.73 0.65 92.0
78 (E)-2-Octen-1-ol 128 C8H16O 0.25 0.002 0.002 0.002 0.002 1.31 0.010 0.010 0.010 0.010
79 1-Octen-3-ol 128 C8 H16 O 0.002 0.002 0.002 0.02 0.12 0.010 0.010 0.010 0.09 0.62 2.26 11.8 a 91.0
80 2-Ethylhexanol 130 C8 H18 O 0.42 0.002 0.002 0.05 0.12 2.21 0.010 0.010 0.28 0.63 91.0
81 Linalool 154 C10 H18 O 5.14 5.08 0.001 0.001 0.001 32.4 32.0 0.007 0.007 0.007 0.19 1.18 a 93.0
82 .alpha.-Methyl-.alpha.-[4-methyl-3-pentenyl]oxiranemethanol 170 C10H18O2 0.001 0.001 0.001 0.03 0.001 0.007 0.007 0.007 0.17 0.007 91.0
Sum 140 364 1,078 379,789 4,658
C. Aldehyde (11)
83 Acetaldehyde 44 C2 H4 O 1,618 1,646 10,584 730 540 2,909 2,959 19,035 1,313 971 1.5-186 2.7-335 b, c 99 .2
84 Allyl aldehyde (Acrolein) 56 C3 H4 O 0.082 0.082 0.082 5.08 6.90 0.189 0.189 0.189 11.62 15.8 3.6-174 8.2-398 b, c 98.0
85 Methylacryl aldehyde 70 C4 H6 O 0.016 0.016 0.016 1.80 3.33 0.045 0.045 0.045 5.14 9.52 8.5 24 b
86 Isobutyraldehyde 72 C4H8O 0.015 0.015 0.015 0.24 3.80 0.043 0.043 0.043 0.71 11.17 0.35-40.7 1.03-120 b, c
87 Butyraldehyde 72 C4H8O 0.015 0.015 0.015 0.35 0.015 0.045 0.045 0.045 1.04 0.045 0.67-8.91 1.97-26.2 b, c 96.0
88 Methylethylacetaldehyde 86 C5H10O 0.008 0.008 0.008 0.15 0.51 0.027 0.027 0.027 0.52 1.79 94.5
89 Isovaleraldehyde 86 C5 H10 O 0.009 0.009 0.009 1.03 2.45 0.030 0.030 0.030 3.60 8.62 0.1-2.24 0.4-7.87 b, c 96.0
90 n-Caproaldehyde 100 C6H12O 1.38 0.005 0.77 0.005 0.005 5.66 0.020 3.14 0.020 0.020 0.28-13.8 1.14-56.4 a, b, c 91.0
91 Benzaldehyde 106 C7 H6 O 0.003 0.003 3.71 0.50 0.22 0.015 0.015 16.1 2.16 0.97 41.7 181 c 94.3
92 n-Nonylaldehyde 142 C9 H18 O 0.55 0.002 0.002 0.002 0.002 3.17 0.011 0.011 0.011 0.011 0.34-2.24 1.97-13.0 b, c 91.0
93 2,4-dihydroxy-6-(2′-oxoheptyl)benzaldehyde 250 C14 H18 O4 0.001 0.001 0.001 0.001 0.36 0.006 0.006 0.006 0.006 3.64 96.0
Sum 2,918 2,959 19,054 1,338 1,022
D. Ketone (9)
94 Acetone 58 C3 H6 O 2,514 3,131 224 7.35 28.0 5,960 7,422 532 17.43 66.5 4,580-42,000 10,858- b, c, e 97.8
95 Methyl vinyl ketone 70 C4 H6 O 0.016 0.016 1.25 0.016 0.016 0.045 0.045 3.57 0.045 0.045 183 524 d 91.0
96 Methyl ethyl ketone 72 C4 H8 O 0.014 0.014 0.014 1.15 1.35 0.041 0.041 0.041 3.39 3.96 270-7,760 795-22,837 b, c, e 93.0
97 Methyl n-propyl ketone 86 C5H10O 54.0 47.1 0.008 0.008 0.008 190 166 0.027 0.027 0.027 28-1,550 98-5,449 b, c 93.5
98 Dimethyl diketone 86 C4H6O2 13.7 0.030 13.9 3.21 0.030 48.10 0.104 48.89 11.3 0.104 4.37 15.4 c 96.3
99 Methyl Isobutyl Ketone 100 C6H12O 4.62 7.50 1.11 0.004 0.004 18.87 30.7 4.53 0.017 0.017 121-537 495-2,195 b, c, e 95.0
100 Methyl amyl ketone 114 C7 H14 O 5.64 6.52 0.003 0.51 0.61 26.28 30.4 0.015 2.36 2.85 35.6-141 166-657 a, b, c 97.8
101 Spiro[3.6]deca-5,7-diene-1-one 148 C10 H12 O 0.001 0.001 0.15 0.001 0.001 0.009 0.009 0.91 0.009 0.009 94.0
102 Phenyl methyl ketone 120 C8 H8 O 1.56 0.002 0.002 0.10 0.13 7.67 0.012 0.012 0.50 0.62 363 1,780 c 91.3
Sum 6,251 7,649 589 35 74
E. Fatty acid (5)
103 Acetic acid 60 C2H4O2 2,519 1,918 1,761 210 86 6,177 4,703 4,319 514 212 6-145 15-356 b, c, e 93 .0
104 2-Propynoic acid 70 C3 H2 O2 69.6 0.023 0.023 0.023 0.023 199 0.067 0.067 0.067 0.067 94 269 i 93.0
105 Methacrylic acid 86 C4H6O2 3.92 0.009 0.009 0.009 0.009 13.8 0.033 0.033 0.033 0.033 93.0
106 2-Methylbutanoic acid 102 C5 H10 O2 0.005 0.005 0.005 0.31 0.005 0.022 0.022 0.022 1.30 0.022 8-186 33-775 a, c, e 93.0
107 Undec-10-ynoic acid 182 C11H18O2 0.001 0.001 0.001 0.001 0.04 0.008 0.008 0.008 0.008 0.28 92.0
Sum 6,390 4,703 4,319 516 212
F.etc. (40)
108 Isoprene 68 C5 H8 3.98 6.11 4.08 0.007 0.77 11.06 17.0 11.34 0.020 2.13 48-455 133-1,265 b, e 95.3
109 Ethylidenecyclopropane 68 C5 H8 0.007 0.007 0.007 0.06 0.007 0.020 0.020 0.020 0.17 0.020 93.0
110 cis-Piperylene 68 C5 H8 1.54 1.49 0.007 0.17 0.007 4.29 4.14 0.020 0.46 0.020 89.3
111 Methylenecyclobutane 68 C5H8 0.007 0.79 0.54 0.007 0.007 0.020 2.20 1.49 0.020 0.020 84.5
112 Divinylene oxide 68 C4H4O 0.008 0.008 0.008 0.008 0.60 0.023 0.023 0.023 0.023 1.66 97.0
113 Propylethylene 70 C5 H10 0.007 0.007 0.74 0.007 0.007 0.020 0.020 2.12 0.020 0.020 90.0
114 n-Pentane 72 C5 H12 12.1 0.007 0.007 0.29 2.20 35.7 0.019 0.019 0.86 6.48 1,400-31,600 4,120-92,997 b, c 96.3
115 Furanidine 72 C4H8O 0.008 0.008 0.008 0.008 0.56 0.024 0.024 0.024 0.024 1.65 97.0
116 Ethyl ether 74 C4 H10 O 0.007 0.007 0.70 0.41 1.45 0.022 0.022 2.12 1.23 4.38 330 998 h 93.7
117 1,3-Hexadiene 82 C6 H10 25.0 1.77 0.005 0.005 0.005 83.9 5.94 0.015 0.015 0.015 2,000 6,703 g 97.0
118 Furan, 2-methyl- 82 C5 H6 O 0.005 0.005 0.005 0.005 0.60 0.016 0.016 0.016 0.016 2.00 24,678 82,713 d 93.0
119 Methylcyclopentane 84 C6H12 0.005 0.005 0.005 0.005 0.57 0.016 0.016 0.016 0.016 1.97 96.0
120 n-Hexane 86 C6H14 1.21 1.02 1.02 0.004 8.03 4.27 3.60 3.57 0.015 28.22 1,500-21,900 5,273-76,983 b, c 94.3
121 2,2-Dimethylbutane 86 C6 H14 3.49 0.004 0.004 0.004 0.004 12.27 0.014 0.014 0.014 0.014 90.0
122 Toluene 92 C7H8 0.003 0.003 0.003 0.003 2.48 0.012 0.012 0.012 0.012 9.32 160-1,550 602-5,829 b, c, e 97.0
123 Phenol 94 C6H6O 0.004 0.004 0.004 0.22 0.004 0.014 0.014 0.014 0.84 0.014 5.60-110 21.5-423 b, c 91.0
124 1-Heptene 98 C7H14 0.42 0.63 0.47 0.17 0.56 1.69 2.51 1.87 0.68 2.24 94.4
125 3-Methylhexane 100 C7H16 0.003 0.003 0.003 0.003 0.08 0.012 0.012 0.012 0.012 0.33 840 3,433 b 92.0
126 Styrene 104 C8 H8 10.05 11.99 19.41 3.03 1.09 42.7 51.0 82.5 12.9 4.64 34.4-35 146-149 b, e 93.2
127 Ethylbenzene 106 C8H10 1.65 0.002 0.002 0.002 0.10 7.16 0.010 0.010 0.010 0.44 2.88-170 12.5-737 b, c 94.5
128 p-Xylene 106 C8 H10 0.32 0.002 0.002 0.002 0.02 1.39 0.011 0.011 0.011 0.10 58-490 251-2,123 b, c 93.0
129 3-Cyclohexenyl cyanide 107 C7 H9 N 0.003 0.003 0.003 0.003 0.13 0.013 0.013 0.013 0.013 0.55 92.0
130 Anisole 108 C7H8O 0.002 0.002 0.002 0.06 0.002 0.011 0.011 0.011 0.27 0.011 90.0
131 n-Octane 114 C8 H18 0.002 0.002 0.002 0.002 0.12 0.011 0.011 0.011 0.011 0.57 1,700-5,750 7,921-26,793 b, c 91.0
132 p-Allyltoluene 132 C10H12 0.52 0.001 0.001 0.001 0.001 2.78 0.008 0.008 0.008 0.008 94.0
133 p-Isopropylphenol 136 C9H12O 0.001 0.001 0.001 0.001 0.04 0.008 0.008 0.008 0.008 0.23 93.0
134 2-Methyl-6-methylene-2,7-octadiene 136 C10 H16 0.001 0.42 0.001 0.001 0.001 0.008 2.34 0.008 0.008 0.008 92.0
135 l-Limonene 136 C10 H16 0.25 0.52 0.001 0.001 0.001 1.36 2.88 0.008 0.008 0.008 90.0
136 (E)-.beta.-Ocimene 136 C10 H16 0.24 0.001 0.001 0.001 0.001 1.33 0.008 0.008 0.008 0.008 90.0
137 Tetramethylbutanedinitrile 136 C8H12N2 0.59 0.002 0.002 0.002 0.002 3.30 0.010 0.010 0.010 0.010 94.0
138 2,2,3,3-Tetramethylhexane 142 C10 H22 0.001 1.65 0.001 0.001 0.001 0.008 9.57 0.008 0.008 0.008 94.0
139 2,5-Dimethyl-4-methoxy-3(2H)-furanone 142 C7H10O3 1.42 0.002 0.002 2.66 0.88 8.23 0.011 0.011 15.5 5.08 3.26 18.9 a 91.7
140 m-Dichlorobenzene 146 C6H4Cl2 0.003 0.003 0.003 0.06 0.08 0.015 0.015 0.015 0.34 0.46 96.5
141 3,5-Dihydroxybenzamide 153 C7H7NO3 0.002 0.002 0.002 0.03 0.002 0.012 0.012 0.012 0.18 0.012 91.0
142 n-Butanoic anhydride 158 C8H14O3 0.002 0.53 0.002 0.002 0.002 0.013 3.44 0.013 0.013 0.013 93.0
143 Genitron 164 C8H12N4 0.001 0.001 0.001 0.05 0.001 0.010 0.010 0.010 0.33 0.010 90.0
144 2-Propyloctahydro-2H-thiochromene 198 C12H22S 0.001 0.001 0.001 0.01 0.001 0.007 0.007 0.007 0.04 0.007 90.0
145 l-Caryophyllene 204 C15 H24 0.001 0.001 0.001 0.15 0.11 0.005 0.005 0.005 1.28 0.88 92.0
146 .alpha.-Muurolene 204 C15 H24 0.001 0.001 0.001 0.01 0.01 0.005 0.005 0.005 0.11 0.11 91.0
147 2,3-Epoxy-.beta.-ionone 208 C13 H20 O2 0.001 1.28 0.001 0.001 0.001 0.006 10.9 0.006 0.006 0.006 98.0
Sum 221 115 105 35.1 73.4 Mean 94.1
Total 68,569 58,503 730,593 382,245 6,086

Below detection limit

References: a. Van Gemert [50], b. Nagata [26], c. Devos et al. [51], d. Ruth [52], e. Woodfield and Hall [53], f. Chemwatch [54], g. Evans et al. [55], h. U.S. Department of Labor [56], and i. Amoore and Hautala [57].

*

Mean similarity of mass spectra between actual experiment and library (NIST)