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. 2020 Dec 5;25(23):5749. doi: 10.3390/molecules25235749

Table 1.

The VOC emission pattern detected using a SPME-GC/MS method in the headspace atmosphere of samples tested at BUT. Similarity indices (SI) were obtained by comparing a profile of the EI mass spectrum of a given VOC compound with the reference one in NIST Mass Spectral Database library; these values represent the confidence in the molecular identification.

tR 1 [min] SI 2 % RIExp 3 RILit 4 Ref. Peak Area per Treatment Name of Compound 5
(1) Empty Container
7.19 65 902 901 [29] 17,674,234 Heptanal ++a
10.05 80 1003 998 [29] 40,444,566 Octanal ++a
10.82 28 1029 1027 [30] 21,189,032 2-Ethyl-hexanol a
13.05 79 1104 1100 [29] 76,538,207 Nonanal ++a
15.98 53 1206 1201 [29] 14,513,924 Decanal ++a
18.06 1281 14,724,741 Unknown compound
18.77 1307 13,630,063 Unknown compound
21.21 32 1400 1400 [29] 6,427,563 Tetradecane ++a
21.44 58 1409 1408 [29] 17,444,416 Dodecanal ++a
24.07 78 1516 1514 [31] 47,388,559 Butylated Hydroxytoluene ++a
(2) PDA Medium
4.77 50 804 801 [29] 19,939,473 Hexanal +a
5.48 57 834 828 [29] 11,223,384 Furfural +a
7.18 31 902 901 [29] 39,366,443 Heptanal ++a
8.80 72 959 952 [29] 60,063,839 Benzaldehyde a
9.74 87 992 984 [29] 31,027,584 2-Pentyl-furan b
10.05 74 1003 998 [29] 11,751,703 Octanal ++a
10.81 44 1029 1027 [30] 32,462,061 2-Ethyl-hexanol a
11.23 73 1043 1036 [29] 73,539,705 Benzeneacetaldehyde ++a
12.96 21 1101 1100 [29] 12,884,326 Undecane +a
13.04 80 1104 1100 [29] 41,840,277 Nonanal ++a
15.48 1189 4,687,953 Unknown compound
15.83 30 1201 1200 [29] 4,893,511 Dodecane +a
15.97 50 1206 1201 [29] 10,723,873 Decanal ++a
18.13 1284 5,876,115 Unknown compound
18.77 1307 4,815,975 Unknown compound
21.43 44 1409 1408 [29] 11,027,672 Dodecanal ++a
24.06 74 1515 1514 [31] 14,730,122 Butylated Hydroxytoluene ++a
(3) A. gallica
8.80 47 959 n/a6 300,374,347 (2E)-4,4-Dimethyl-2-pentenal c
11.73 53 1060 1049 [29] 62,813,700 (E)-2-Octen-1-al b
20.87 10 1387 n/a - 611,543,126 1,3,4,5,6,7-Hexahydro-2,5,5-trimethyl-2H-2,4a-ethanonaphthalene c
23.89 26 1506 1506 [29] 74,690,325 (Z)-α-Bisabolene +a
(4) A. ostoyae
8.80 49 959 n/a - 87,776,838 (2E)-4,4-Dimethyl-2-pentenal c
11.74 35 1060 1049 [29] 20,166,139 (E)-2-Octen-1-al b
18.49 21 1297 1293 [29] 8,070,650 2-Undecanone a
20.83 43 1386 n/a - 106,170,662 1,3,4,5,6,7-Hexahydro-2,5,5-trimethyl-2H-2,4a-ethanonaphthalene c
22.49 59 1451 1440 [29] 43,908,793 β-Barbatene a
24.42 34 1531 1522 [29] 24,134,794 δ-Cadinene +a
(5) F. avenaceum
3.28 76 712 735 [32] 2,653,753 2,4-Dimethylfuran +b
9.13 23 971 970 [33] 3,974,721 Mesitilene +a
10.91 76 1032 1029 [29] 9,540,610 β-Phellandrene a
21.59 35 1415 1407 [29] 11,961,247 Longifolene a
24.46 73 1532 1519 [29] 3,401,805 β-Bazzanene +a
(6) F. culmorum
1.62 77 <500 448 [34] 163,586,144 Ethanol a
2.25 96 573 606 [29] 45,234,113 Ethyl acetate +a
3.55 41 728 731 [29] 6,085,804 Isoamyl alcohol +a
3.61 56 732 724 [29] 3,371,660 2-Methyl-butanol a
10.91 18 1032 1029 [29] 177,256,946 β-Phellandrene a
21.80 43 1424 1408 [29] 20,993,355 Acora-3,7(14)-diene +b
22.23 man.7 1441 1432 [29] 138,760,275 β-Copaene +a
(7) F. oxysporum
6.02 78 854 864 [35] 845,609 2-Furanmethanol +b
7.96 59 930 927 [36] 2,621,568 Hexyl formate +a
8.86 79 961 952 [29] 49,523,292 Benzaldehyde +a
9.65 68 989 979 [29] 5,057,096 3-Octanone a
10.27 71 1010 960 [29] 2,393,859 Isoamyl propionate +a
10.90 54 1032 n/a 63,835,818 Heptyl formate +a
21.98 33 1431 1419 [29] 4,969,490 β-Cedrene a
22.49 90 1451 n/a 23,065,220 3-Chloro-4-methoxy-benzaldehyde c
22.77 20 1463 n/a 8,382,097 2,4-Dichloro-3-methoxy-1-benzene carbonyl chloride +c
23.34 93 1486 864 [35] 2,740,362 3,4-Dimethoxy-benzaldehyde +a
(8) F. poae
9.43 81 981 974 [29] 93,704,125 1-Octen-3-ol a
9.79 36 994 988 [29] 166,758,547 Myrcene +a
13.39 59 1116 1122 [37] 100,643,564 1-Ethyl-4-methoxy-benzene b
16.68 41 1231 1223 [29] 36,663,640 Citronellol +a
20.10 28 1358 1350 [29] 106,101,600 α-Longipinene +a
20.65 16 1379 1371 [29] 108,987,407 Longicyclene +a
21.43 man. 1409 1400 [29] 248,606,376 β-Longipinene +b
21.65 37 1418 1407 [29] 1,390,824,920 Longifolene a
21.81 1427 482,683,621 Unknown sesquiterpene
21.91 22 1428 1419 [29] 195,664,192 β-Ylangene +a
22.31 1444 954,381,082 Unknown sesquiterpene
22.55 55 1454 1440 [29] 129,567,010 β-Barbatene +a
22.68 16 1459 1449 [29] 117,848,857 α-Himachalene +a
22.75 50 1462 1454 [29] 143,907,373 (E)-β-Farnesene +a
23.02 20 1473 1466 [29] 116,555,130 α-Acoradiene +a
23.38 16 1487 1481 [29] 134,783,119 γ-Himachalene +a
23.98 43 1512 n/a 44,779,678 8-Isopropenyl-1,5-dimethyl-1,5-cyclodecadiene +c
24.05 17 1515 1505 [29] 51,262,732 β-Bisabolene +a
25.03 1557 42,987,721 Unknown sesquiterpene
26.31 60 1612 1599 [29] 1,576,920,976 Longiborneol +a
(9) P. cactorum
1.71 86 <500 500 [34] 5,827,788 Acetone a
3.75 97 740 744 [38] 4,459,515 Dimethyl disulfide b
4.12 763 4,321,348 Unknown compound
6.35 60 868 863 [29] 25,809,441 1-Hexanol +a
9.15 58 971 959 [29] 5,111,166 1-Heptanol +a
9.42 75 981 974 [29] 19,848,783 1-Octen-3-ol a
9.65 76 989 979 [29] 12,627,315 3-Octanone a
9.81 88 995 984 [29] 4,284,441 2-Pentyl-furana
12.05 22 1071 1060 [29] 2,508,277 2-Octen-1-ol +a
12.13 19 1073 1063 [29] 4,044,266 1-Octanol +a
(10) P. cinnamomi
1.61 97 <500 448 [31] 9,483,339 Ethanol a
9.43 56 981 974 [29] 2,215,655 1-Octen-3-ol a
10.88 47 1031 1027 [30] 5,251,305 2-Ethyl-hexanol a
18.13 85 1284 1282 [39] 1,001,882 4-Ethyl-2-methoxy-phenol +b
(11) P. plurivora
1.71 84 <500 500 [34] 4,481,938 Acetone a
3.20 64 707 711 [40] 2,268,583 Acetoin +a
6.37 36 869 863 [29] 1,803,069 Hexanol +a
7.51 76 914 933 [41] 3,627,373 4-Hydroxy-butanoic acid +b
8.14 16 936 932 [29] 1,684,400 α-Pinene +a
10.35 14 1013 1008 [29] 1,103,050 Δ-3-Carene +a
(12) P. ramorum
1.16 98 <500 448 [34] 20,885,799 Ethanol a
3.55 74 728 730 [42] 80,424,948 3-Methyl-butanol a
3.61 74 732 724 [29] 26,123,097 2-Methyl-butanol a
9.43 72 981 974 [29] 8,370,575 1-Octen-3-ol a
9.65 70 989 979 [29] 11,144,929 3-Octanone a
13.37 87 1116 1106 [29] 48,377,677 2-Phenylethanol +a
(13) R. solani
1.71 87 <500 500 [34] 3,565,392 Acetone a
9.42 74 981 974 [29] 24,589,405 1-Octen-3-ol a
9.65 62 989 979 [29] 3,438,485 3-Octanone a
9.90 75 998 988 [29] 6,372,403 3-Octanol +a
15.56 1191 - - 4,474,717 Unknown compound
(14) T. asperellum
1.71 82 <500 500 [34] 3,920,210 Acetonea
3.56 62 729 730 [41] 7,870,509 3-Methyl-butanola
3.62 45 733 724 [29] 4,424,960 2-Methyl-butanola
3.76 98 741 744 [38] 11,829,339 Dimethyl disulfideb
7.26 905 153,721,663 Unknown compound
13.01 1103 20,319,451 Unknown compound
13.38 85 1116 1106 [29] 37,177,146 2-Phenyethanol +a
20.08 1357 70,272,034 Unknown sesquiterpene
20.91 44 1389 1380 [29] 229,806,310 Daucene +b
21.81 man. 1424 1412 [29] 25,748,186 2-epi-β-Funebrene +b
21.98 50 1431 1419 [29] 86,596,372 β-Cedrenea
23.93 28 1510 1500 [29] 118,470,969 Isodaucene +b
24.27 21 1524 1513 [29] 52,189,482 γ-Cadinene +a
24.63 40 1540 1530 [29] 194,592,295 Dauca-4(11)-8-diene +a
25.49 1576 8,894,971 Unknown sesquiterpene
27.81 1679 15,501,124 Unknown sesquiterpene
28.31 27 1701 n/a 15,437,838 1-Isopropyl-4,8-dimethylspiro [4.5]dec-8-en-7-one +c
30.26 1793 21,104,266 Unknown sesquiterpene

1 retention time; 2 similarity index; 3 Kovats retention index calculated from experimental data; 4 Kovats retention index from literature; 5 compound exclusively present there (+) or present only in controls (++); 6 data not available; 7 manual matching; a compound identified using retention time of authentic standard, matching with MS library and comparison with reported KI; b compound identified by matching with MS library and comparison with reported KI; c compound identified by matching with MS library.