Table 2.
Peak Nra) | Allergen variantb) | Theor. mass Mr | 1:1 Nitration samplec) | 5:1 Nitration sampled) | ||||
---|---|---|---|---|---|---|---|---|
tm[s] | Exp. mass/error | Relative | tm[s] | Exp. mass/error | Relative | |||
Mr [ppm] | intensitye) | Mr [ppm] | intensity | |||||
1 | Bet v 1a | 17439.600 | 970.7 | 17439.933/19.1 | 100 | 1007.3 | 17439.891/16.7 | 100 |
2 | 1× nitro #1 | 17484.598 | 995.4 | 17484.910/17.8 | 17 | 1031.1 | 17484.821/12.8 | 18 |
3 | 1× nitro #2 | 17484.598 | 1007.3 | 17484.878/16.0 | 4 | 1046.6 | 17485014/23.8 | 4 |
4 | 1× nitro #3 | 17484.598 | 1022.0 | 17484.937/19.4 | 11 | 1061.3 | 17484.923/18.6 | 17 |
5 | 2× nitro #1 | 17529.600 | 1033.9 | 17529.927/18.9 | 2 | 1073.2 | 17529.769/9.6 | 4 |
6 | 2× nitro #2 | 17529.600 | 1047.6 | 17529.939/19.6 | 5 | 1086.0 | 17529.987/22.1 | 20 |
7 | 3× nitro #1 | 17574.598 | 1054.9 | 17575.111/29.4 | 2 | 1093.3 | 17574.953/20.2 | 8 |
8 | 2× nitro #3 | 17529.600 | 1064.1 | 17529.959/20.7 | 1 | 1107.1 | 17529.889/16.5 | 3 |
9 | 3× nitro #2 | 17574.598 | 1089.7 | 17575.275/38.7 | 2 | 1132.7 | 17574.994/22.5 | 11 |
10 | 4× nitro #1 | 17619.596 | 1097.0 | 17620.928/75.8 | 1 | 1140.0 | 17620.076/27.2 | 9 |
11 | 5× nitro #1 | 17664.594 | n.d.f) | n.d. | n.d. | 1148.2 | 17664.886/16.5 | 4 |
12 | 5× nitro #2 | 17664.594 | n.d. | n.d. | n.d. | 1180.3 | 17665.300/40.0 | 1 |
13 | 6× nitro #1 | 17709.592 | n.d. | n.d. | n.d. | 1205.0 | 17710.600/56.9 | 1 |
Peak numbers refer to annotations given in Fig. 5.
Variants #1–3 refer to nBet v1a variants of nominally identical mass, but different tm (see Fig. 5).
and d) Refer to nitrated Bet v 1a samples derived from reaction mixtures containing PN:Tyr ratios of 1:1 and 5:1, respectively.
Refers to Bet v 1a of the respective sample that is assigned 100%.
Not determined since the S/N in BPE was too low to allow for unambiguous identification.