|
Total peak area
| | | | | |
2.4E+07c
| |
3.8E+07b
| |
1.0E+08a
| |
**
|
Carboxylic acid
| | | | | | | | | | | | |
1
|
Acetic acid
|
64
|
19
|
7
|
1471
|
1427-1479
|
NDb
| |
NDb
| |
6.8E+05a
| |
***
|
2
|
Propanoic acid
|
79
|
9
|
4
|
1565
|
1487-1574
|
8.9E+04ab
| |
6.6E+04b
| |
1.3E+05a
| |
*
|
3
|
Hexanoic acid
|
142
|
62
|
1
|
1908
|
1815-1938
|
2.4E+05b
| |
2.6E+05b
| |
4.1E+05a
| |
*
|
|
Total carboxylic acid
| | | | | |
3.3E+05b
|
1.4
|
3.3E+05b
|
0.9
|
1.2E+06a
|
1.2
|
***
|
Aldehydes
| | | | | | | | | | | | |
4
|
Acetaldehyde
|
75
|
7
|
0
|
707
|
677-744
|
2.5E+05b
| |
5.3E+05b
| |
2.4E+06a
| |
***
|
5
|
Propanal
|
123
|
38
|
6
|
801
|
769-828
|
2.5E+06b
| |
1.6E+06c
| |
7.0E+06a
| |
***
|
6
|
2-Methylpropanal
|
78
|
84
|
2
|
819
|
800-858
|
NDb
| |
2.0E+05b
| |
2.1E+06a
| |
***
|
7
|
(E)-2-Propenal
|
107
|
2
|
8
|
852
|
828-864
|
9.2E+04b
| |
6.3E+04b
| |
1.5E+05a
| |
***
|
8
|
Butanal
|
123
|
72
|
8
|
884
|
850-911
|
5.1E+04b
| |
4.1E+04b
| |
1.6E+05a
| |
**
|
9
|
2-Methylbutanal
|
96
|
17
|
3
|
923
|
880-937
|
5.4E+04b
| |
9.3E+05b
| |
5.8E+06a
| |
***
|
10
|
3-Methylbutanal
|
590
|
86
|
3
|
926
|
902-961
|
1.4E+05b
| |
2.1E+06b
| |
1.6E+07a
| |
***
|
11
|
Pentanal
|
110
|
62
|
3
|
988
|
950-1003
|
4.1E+05b
| |
4.6E+05b
| |
6.9E+05a
| |
**
|
12
|
Hexanal
|
66
|
25
|
1
|
1097
|
1067-1099
|
1.5E+06c
| |
2.1E+06b
| |
2.8E+06a
| |
***
|
13
|
(E)-2-Methyl-2-butenal
|
497
|
3
|
0
|
1115
|
1069-1113
|
4.8E+04b
| |
6.5E+04b
| |
1.7E+06a
| |
***
|
14
|
(E)-2-Methyl-2-pentenal
|
623
|
36
|
9
|
1180
|
1143-1177
|
4.1E+05b
| |
2.9E+05b
| |
1.7E+06a
| |
***
|
15
|
Heptanal
|
111
|
71
|
7
|
1198
|
1174-1214
|
1.8E+05b
| |
2.7E+05a
| |
1.6E+05b
| |
*
|
16
|
Octanal
|
124
|
13
|
0
|
1306
|
1274-1340
|
1.4E+05c
| |
2.7E+05b
| |
4.7E+05a
| |
***
|
17
|
(E)-2-Heptenal
|
18829
|
55
|
5
|
1350
|
1313-1332
|
2.6E+05b
| |
6.3E+05a
| |
7.7E+05a
| |
*
|
18
|
Nonanal
|
124
|
19
|
6
|
1416
|
1376-1423
|
2.00E+05
| |
3.2E+05
| |
4.1E+05
| |
NS
|
19
|
(E)-2-Octenal
|
2363
|
89
|
5
|
1462
|
1424-1467
|
2.30E+05
| |
2.8E+05
| |
3.5E+05
| |
NS
|
20
|
Benzaldehyde
|
100
|
52
|
7
|
1573
|
1488-1585
|
2.1E+05c
| |
4.2E+05b
| |
6.7E+05a
| |
**
|
21
|
(E,E)-2,4-Decadienal
|
25152
|
84
|
5
|
1876
|
1763-1858
|
3.4E+05b
| |
5.7E+05a
| |
6.0E+05a
| |
**
|
|
Total aldehydes
| | | | | |
7.0E+06c
|
29.8b
|
1.1E+07b
|
29.4b
|
4.4E+07a
|
43.7a
|
***
|
Ketones
| | | | | | | | | | | | |
22
|
2-Propanone
|
67
|
64
|
1
|
823
|
820-858
|
7.6E+05c
| |
1.1E+06b
| |
1.3E+06a
| |
**
|
23
|
2-Butanone
|
78
|
93
|
3
|
910
|
881-913
|
3.1E+04b
| |
4.1E+04b
| |
2.0E+05a
| |
***
|
24
|
2,3-Butanedione
|
431
|
3
|
8
|
980
|
975-1000
|
NDb
| |
NDb
| |
2.6E+05a
| |
***
|
25
|
2,3-Pentanedione
|
600
|
14
|
6
|
1065
|
973-1082
|
2.1E+04b
| |
4.9E+04b
| |
2.8E+05a
| |
***
|
26
|
2-Undecanone
|
112
|
12
|
9
|
1635
|
1570-1628
|
1.60E+05
| |
1.7E+05
| |
2.2E+05
| |
NS
|
27
|
2-Tridecanone
|
593
|
8
|
8
|
1864
|
1783-1816
|
1.5E+05a
| |
1.2E+05a
| |
NDb
| |
***
|
|
Total Ketones
| | | | | |
1.1E+06c
|
4.7
|
1.5E+06b
|
3.9
|
2.3E+06a
|
2.3
|
***
|
Hydrocarbons
| | | | | | | | | | | | |
28
|
Pentane
|
109
|
66
|
0
|
500
|
500
|
3.60E+05
| |
5.2E+05
| |
5.7E+05
| |
NS
|
29
|
Hexane
|
110
|
54
|
3
|
600
|
600
|
5.1E+04b
| |
1.3E+05a
| |
4.5E+04b
| |
**
|
30
|
Cyclopentane
|
287
|
92
|
3
|
634
|
/
|
8.20E+05
| |
7.2E+05
| |
8.3E+04
| |
NS
|
31
|
1-Octene
|
111
|
66
|
0
|
859
|
822-892
|
4.9E+04b
| |
7.8E+04a
| |
8.8E+04a
| |
**
|
32
|
Decane
|
124
|
18
|
5
|
1000
|
1000
|
8.00E+04
| |
1.3E+05
| |
1.1E+05
| |
NS
|
33
|
Dodecane
|
112
|
40
|
3
|
1193
|
1200
|
7.4E+04b
| |
4.9E+05a
| |
8.2E+04b
| |
***
|
34
|
Tetradecane
|
629
|
59
|
4
|
1400
|
1400
|
NDb
| |
8.4E+04a
| |
NDb
| |
***
|
|
Total Hydrocarbons
| | | | | |
1.40E+06
|
6.08a
|
2.1E+06
|
5.7a
|
9.7E+05
|
1.0b
|
NS
|
Sulfur compounds
| | | | | | | | | | | | |
35
|
Methanethiol
|
74
|
93
|
1
|
689
|
643-699
|
3.1E+04c
| |
6.0E+04b
| |
1.8E+05a
| |
***
|
36
|
Dimethyl sulfide
|
75
|
18
|
3
|
758
|
724-777
|
4.1E+04b
| |
3.5E+04b
| |
4.7E+05a
| |
***
|
37
|
1-Propanethiol
|
107
|
3
|
9
|
843
|
817-845
|
7.8E+04c
| |
1.5E+05b
| |
3.0E+05a
| |
***
|
38
|
(Z)-1-Propenyl methyl sulfide
|
52195
|
40
|
1
|
1003
|
1006
|
NDb
| |
NDb
| |
1.2E+05a
| |
***
|
39
|
(E)-1-Propenyl methyl sulfide
|
42848
|
6
|
6
|
1028
|
1006
|
5.5E+04b
| |
6.2E+04b
| |
1.3E+05a
| |
***
|
40
|
1-Pentanethiol
|
110
|
66
|
7
|
1055
|
1039-1055
|
4.4E+04c
| |
6.7E+04b
| |
8.0E+04a
| |
***
|
41
|
Dimethyl disulfide
|
624
|
92
|
0
|
1096
|
1057-1120
|
NDb
| |
NDb
| |
8.5E+05a
| |
***
|
42
|
2-Methylthiophene
|
554
|
14
|
3
|
1112
|
1078-1120
|
NDb
| |
NDb
| |
5.7E+04a
| |
***
|
43
|
3-Methyltiophene
|
616
|
44
|
4
|
1139
|
1093-1158
|
NDb
| |
5.0E+04b
| |
2.1E+05a
| |
***
|
44
|
2,5-Dimethylthiophene
|
638
|
2
|
8
|
1212
|
1187-1248
|
2.1E+05b
| |
3.0E+05b
| |
9.1E+05a
| |
***
|
45
|
3,4-Dimethylthiophene
|
632
|
15
|
5
|
1215
|
1240-1257
|
1.5E+05c
| |
3.0E+05b
| |
6.3E+05a
| |
***
|
46
|
Methyl propyl disulfide
|
2179
|
60
|
4
|
1257
|
1213-1243
|
1.3E+05b
| |
1.9E+05b
| |
5.3E+05a
| |
***
|
47
|
2,4-Dimethylthiophene
|
638
|
0
|
6
|
1278
|
1183-1264
|
1.5E+06c
| |
3.6E+06b
| |
1.1E+07a
| |
***
|
48
|
(Z)-1-Propenyl methyl disulfide
|
23838
|
18
|
8
|
1292
|
1245-1273
|
7.8E+05b
| |
1.5E+06b
| |
4.3E+06a
| |
***
|
49
|
(E)-1-Propenyl methyl disulfide
|
5905
|
47
|
5
|
1318
|
1268-1297
|
8.7E+05b
| |
2.4E+06b
| |
1.2E+07a
| |
***
|
50
|
Dipropyl disulfide
|
629
|
19
|
6
|
1411
|
1370-1396
|
3.4E+05a
| |
1.8E+05b
| |
1.1E+05b
| |
***
|
51
|
Dimethyl trisulfide
|
3658
|
80
|
8
|
1426
|
1370-1427
|
1.5E+05b
| |
4.9E+05b
| |
2.5E+06a
| |
***
|
52
|
(Z)-1-Propenyl propyl disulfide
|
23838
|
20
|
2
|
1451
|
1404-1407
|
7.3E+05a
| |
6.1E+05a
| |
4.0E+05b
| |
*
|
53
|
(E)-1-Propenyl propyl disulfide
|
5905
|
46
|
4
|
1474
|
1410-1447
|
1.20E+06
| |
1.1E+06
| |
1.3E+06
| |
NS
|
54
|
Methional
|
3268
|
49
|
3
|
1490
|
1448-1479
|
NDb
| |
3.2E+05b
| |
4.1E+05a
| |
***
|
55
|
Methyl propyl trisulfide
|
17619
|
36
|
2
|
1586
|
1494-1521
|
4.20E+05
| |
5.5E+05
| |
6.8E+05
| |
NS
|
56
|
Dipropyl trisulfide
|
6028
|
61
|
1
|
1737
|
1636-1738
|
2.5E+05a
| |
2.0E+05b
| |
1.5E+05c
| |
***
|
57
|
3,5-Diethyl-1,2,4-trithiolane
|
54644
|
28
|
9
|
1816
|
1744-1762
|
4.5E+05a
| |
3.2E+05ab
| |
2.5E+05b
| |
*
|
|
Total sulfur compounds
| | | | | |
7.4E+06b
|
31.4b
|
1.2E+07b
|
32.2b
|
3.8E+07a
|
37.7a
|
***
|
Furans
| | | | | | | | | | | | |
58
|
2-Methylfuran
|
534
|
22
|
5
|
877
|
843-876
|
8.6E+04b
| |
1.0E+05ab
| |
1.4E+05a
| |
*
|
59
|
2,4-Dimethylfuran
|
3710
|
43
|
8
|
976
|
943-958
|
2.9E+06a
| |
3.68E+06a
| |
1.64E+05b
| |
***
|
60
|
2-Pentylfuran
|
3777
|
69
|
3
|
1242
|
1236-1243
|
4.1E+05ab
| |
6.4E+05a
| |
3.0E+05b
| |
**
|
61
|
Furfural
|
98
|
1
|
1
|
1494
|
1384-1493
|
1.3E+05c
| |
1.4E+06b
| |
2.0E+06a
| |
***
|
62
|
2-Acetylfuran
|
1192
|
62
|
7
|
1544
|
1475-1538
|
NDc
| |
1.2E+05b
| |
2.0E+05a
| |
***
|
63
|
5-Methylfurfural
|
620
|
2
|
0
|
1617
|
1542-1608
|
NDb
| |
3.4E+05a
| |
2.5E+05a
| |
***
|
64
|
2-Furanmethanol
|
98
|
0
|
0
|
1695
|
1636-1693
|
6.3E+05b
| |
1.1E+06a
| |
1.3E+06a
| |
*
|
|
Total furans
| | | | | |
4.16E+06b
|
17.6
|
7.4E+06a
|
19.7
|
4.4E+06b
|
4.4
|
***
|
Pyrrole
| | | | | | | | | | | | |
65
|
2-Acetylpyrrole
|
1072
|
83
|
9
|
2068
|
1935-2066
|
NDb
|
0.0b
|
NDb
|
0.0b
|
5.0E+06a
|
0.5a
|
***
|
Alcohol
| | | | | | | | | | | | |
66
|
Ethanol
|
64
|
17
|
5
|
940
|
900-956
|
3.4E+05b
|
1.4
|
4.6E+05b
|
1.2
|
9.3E+05a
|
0.9
|
*
|
|
Total non identified compounds
| | | | | |
1.78E+06c
|
7.5ab
|
2.68E+06b
|
7.1b
|
8.26E+06a
|
8.3a
|
***
|