Table 2.
Retention time and characteristic mass fragment ion of volatile compounds from eb-MPH
| No. | Compounds | Retention time (min) | RIa | Relative peak area (%) | Fragment ion (m/z) | |
|---|---|---|---|---|---|---|
| Compounds | Standard ion spectrum from databasec | |||||
| 1 | 3-Methyl-butanal | 2.052 | 643 | 41.26 | 39(50)b, 41(100), 42(18), 44(85), 45(15), 57(37), 58(60), 86(10) | 39(50), 41(98), 42(17), 44(100), 45(12), 57(24), 58(50), 86(9) |
| 2 | 2-Heptanone | 5.946 | 853 | 4.74 | 39(11), 43(100), 58(60), 59(10), 71(20), 114(14) | 39(10), 43(100), 58(55), 59(9), 71(25), 114(12) |
| 3 | 2-Pentyl-furan | 7.153 | 951 | 2.17 | 39(16), 41(16), 43(7), 53(25), 81(100), 82(28), 95(19), 109(15), 123(7), 138(25) | 39(16), 41(16), 43(7), 53(25), 81(100), 82(37), 95(19), 109(15), 123(7) 138(18) |
| 4 | 3-Hydroxy-2-butanone | 8.875 | 994 | 1.43 | 42(7), 43(80), 44(10), 45(100), 73(7), 88(12) | 42(8), 43(88), 44(5), 45(100), 73(5), 88(8) |
| 5 | 2-Ethyl-5-methyl-pyrazine | 10.233 | 1002 | 6.04 | 39(20), 40(5), 43(24), 52(6), 53(8), 54(3), 56(25), 79(8), 85(7), 94(20), 121(100), 122(68) | 39(28), 40(8), 43(25), 52(6), 53(8), 54(9), 56(23), 79(8), 85(5), 94(15), 121(100), 122(67) |
| 6 | Trimethyl-pyrazine | 12.604 | 1035 | 0.39 | 39(28), 40(13), 42(40), 52(7), 53(12), 54(10), 81(15), 122(95) | 39(28), 40(13), 42(27), 52(6), 53(7), 54(9), 81(13), 122(75) |
| 7 | Acetic acid | 14.768 | 1079 | 1.72 | 41(6), 42(23), 43(100), 45(98), 60(70), 61(4) | 41(6), 42(24), 43(93), 45(94), 60(71), 61(2) |
| 8 | Furfural | 17.151 | 1103 | 22.80 | 38(12), 39(47), 42(4), 67(8), 95(92), 96(100), 97(5) | 38(14), 39(67), 42(5), 67(6), 95(89), 96(100), 97(6) |
| 9 | Benzaldehyde | 18.391 | 1136 | 6.04 | 39(8), 50(25), 51(30), 52(12), 74(10), 77(82), 78(20), 104(97), 105(97) | 39(10), 50(30), 51(50), 52(17), 74(15), 77(98), 78(16), 104(100), 105(97) |
| 10 | 2,3-Butanediol | 21.546 | 1178 | 3.74 | 43(17), 44(6), 45(100), 46(4), 47(8), 57(10), 90(2) | 43(17), 44(5), 45(100), 46(4), 47(4), 57(10), 90(2) |
| 11 | Benzeneacetaldehyde | 22.877 | 1211 | 3.64 | 51(10), 63(12), 65(20), 91(100), 92(34), 120(24) | 51(9), 63(10), 65(25), 91(100), 92(26), 120(16) |
| 12 | 3-Methyl-butanoic acid | 24.626 | 1281 | 0.35 | 39(23), 41(44), 42(12), 43(28), 45(25), 60(100), 87(28), 102(2) | 39(13), 41(33), 42(7), 43(32), 45(16), 60(100), 87(17), 102(2) |
| 13 | 3-Methylthio-1-propanol | 25.354 | 1299 | 0.58 | 41(23), 47(31), 48(22), 49(23), 57(50), 61(48), 73(29), 106(100) | 41(30), 47(35), 48(33), 49(35), 57(58), 61(75), 73(24), 106(100) |
| 14 | Pentanoic acid | 26.949 | 1368 | 1.82 | 39(12), 41(22), 42(12), 43(10), 45(14), 60(100), 73(50), 102(2) | 39(12), 41(21), 42(12), 43(17), 45(14), 60(100), 73(34), 102(2) |
| 15 | Benzene-ethanol | 30.828 | 1437 | 1.06 | 39(8), 63(8), 65(19), 77(8), 91(100), 92(48), 122(30) | 39(1), 63(7), 65(23), 77(5), 91(100), 92(56), 122(32) |
| 16 | Quinoline | 34.164 | 1525 | 0.71 | 51(7), 75(4), 77(9), 101(5), 129(100) | 51(7), 75(5), 77(10), 101(8), 129(100) |
| 17 | Pyrrorole-2-carboxaldehyde | 34.700 | 1588 | 0.87 | 37(8), 38(12), 39(34), 40(9), 66(45), 94(61), 95(100) | 37(5), 38(11), 39(31), 40(7), 66(48), 94(55), 95(100) |
| 18 | 2-Pyrrolidinone | 35.439 | 1643 | 0.27 | 39(15), 41(62), 42(48), 43(25), 55(10), 56(12), 85(97), 86(4) | 39(10), 41(69), 42(70), 43(30), 55(5), 56(9), 85(100), 86(7) |
| 19 | 2-Methoxy-4-vinylphenol | 40.698 | 1792 | 0.37 | 39(12), 51(15), 77(45), 78(10), 79(15), 107(50), 135(95), 150(97) | 39(21), 51(29), 77(67), 78(17), 79(24), 107(67), 135(100), 150(97) |
aRI (retention index) calculated with a DB-Wax stationary phase using a series of alkanes between C8 and C20
bNumber in brackets are the abundance (%) of fragment ion
cStandard ion spectrum from Wiley 275 and the NIST library database