TABLE 2.
Detailed MS/MS analysis of paenibacillin reduced with NaBH4 and NaBD4
| Δm between y-n (D) and y-n (H) | Fragment ion | Measured m/z
|
Sequencea | Measured m/z
|
Fragment ion | Δm between b-n (D) and b-n (H) | ||
|---|---|---|---|---|---|---|---|---|
| NaBD4 | NaBH4 | NaBD4 | NaBH4 | |||||
| X | ||||||||
| O (2) | 187.02 | 185.06 | b-2 | 1.96 | ||||
| y-28 | 1,329.852+ | Leu | 300.13 | 298.12 | b-3 | 2.01 | ||
| 16.02 | y-27 | 1,281.292+ | 1,273.282+ | Leu | 413.21 | 411.21 | b-4 | 2.00 |
| 16.06 | y-26 | 1,224.742+ | 1,216.712+ | Lys | 541.27 | 539.28 | b-5 | 1.99 |
| 15.98 | y-25 | 1,160.652+ | 1,152.662+ | Abu (2) | 628.33 | 624.33 | b-6 | 4.00 |
| 14.00 | y-24 | 1,117.122+ | 1,110.122+ | Abu (2) | 715.41 | 709.38 | b-7 | 6.03 |
| 12.06 | y-23 | 1,073.622+ | 1,067.592+ | Leu | 828.48 | 822.46 | b-8 | 6.02 |
| 12.01 | y-22 | 1,017.132+ | 2,021.25 | Lys | 956.53 | 950.53 | b-9 | 6.00 |
| y-21 | 1,893.31 | Val | 1,055.61 | 1,049.63 | b-10 | 5.98 | ||
| 11.98 | y-20 | 903.592+ | 1,794.20 | Ala (1) | 1,127.69 | 1,120.67 | b-11 | 7.02 |
| 11.00 | y-19 | 867.572+ | 1,723.14 | Lys | 1,255.77 | 1,248.78 | b-12 | 6.99 |
| 10.98 | y-18 | 803.492+ | 1,595.00 | Ala (0) | 663.892+ | 1,319.80 | b-13 | 6.98 |
| 10.96 | y-17 | 1,534.93 | 1,523.97 | Val | 713.462+ | 1,418.96 | b-14 | 6.96 |
| 11.02 | y-16 | 1,435.88 | 1,424.86 | Ala (1) | 749.492+ | 1,490.00 | b-15 | 7.98 |
| 10.95 | y-15 | 682.382+ | 1,353.81 | Lys | 813.562+ | 1,618.15 | b-16 | 7.97 |
| 10.01 | y-14 | 1,235.68 | 1,225.67 | Abu (1) | 856.572+ | 1,703.17 | b-17 | 8.97 |
| 9.01 | y-13 | 1,149.61 | 1,140.60 | Leu | 913.162+ | 1,816.26 | b-18 | 9.06 |
| 9.01 | y-12 | 1,036.52 | 1,027.50 | Abu (1) | 1,901.30 | b-19 | ||
| 8.01 | y-11 | 950.46 | 942.45 | Ala (1) | 992.142+ | 1,972.33 | b-20 | 10.95 |
| 7.01 | y-10 | 878.42 | 871.41 | Leu | 1,048.592+ | 1,043.112+ | b-21 | 10.96 |
| 7.01 | y-9 | 765.34 | 758.33 | Ala (1) | 1,078.642+ | b-22 | ||
| 6.00 | y-8 | 693.30 | 687.30 | Abu (1) | 1,127.692+ | 1,121.162+ | b-23 | 13.06 |
| 5.02 | y-7 | 607.27 | 602.25 | Gly | 1,149.682+ | b-24 | ||
| 5.01 | y-6 | 550.25 | 545.24 | Ala (1) | 1,192.202+ | 1,185.212+ | b-25 | 13.98 |
| 4.00 | y-5 | 478.21 | 474.21 | Ala (1) | 1,220.742+ | b-26 | ||
| 3.00 | y-4 | 406.18 | 403.18 | Ala (2) | 1,264.802+ | 1,256.272+ | b-27 | 17.06 |
| 0.99 | y-3 | 333.13 | 332.14 | Asn | 1,321.782+ | 1,313.302+ | b-28 | 16.96 |
| 1.00 | y-2 | 219.11 | 218.11 | Ala (1) | 1,348.852+ | b-29 | ||
| −0.01 | y-1 | 147.08 | 147.09 | Lys | ||||
a
The number in parentheses in the sequence column represents the mass shift caused by deuterium labeling on that specific residue: 1, a mass shift of 1 Da, suggesting this residue was from Lan or MeLan; 2, a mass shift of 2 Da, suggesting this residue is from Dha or Dhb.