Table 1.
Digestion Product | Measured m/z | Charge | Measured Monoisotopic Mass [M+H]+ | Theoretical Monoisotopic Mass [M+H]+ | Error (ppm) |
---|---|---|---|---|---|
[1–30]+Me | 1088.2893 | 3 | 3262.8533 | 3262.8524 | 0.290 |
[31–44] | 492.9174 | 3 | 1476.7376 | 1476.7363 | 0.912 |
[31–44] | 738.8725 | 2 | 1476.7377 | 1476.7363 | 0.964 |
[31–44] | 1476.7381 | 1 | 1476.7381 | 1476.7363 | 1.219 |
[31–44]Ox | 746.8698 | 2 | 1492.7323 | 1492.7312 | 0.753 |
[31–44]Ox | 1492.7366 | 1 | 1492.7366 | 1492.7312 | 3.618 |
[45–59] | 844.4092 | 2 | 1687.8111 | 1687.8326 | 12.724* |
[60–75]+DATDH+PG | 928.9366 | 2 | 1856.8659 | 1856.8637 | 1.197 |
[60–75]+2DATDH+PG | 1042.9924 | 2 | 2084.9775 | 2084.9747 | 1.354 |
[76–92]Ox | 915.4706 | 2 | 1829.9339 | 1829.9313 | 1.434 |
[80–92] | 676.8405 | 2 | 1352.6737 | 1352.6726 | 0.831 |
[80–92]+DATDH | 790.8960 | 2 | 1580.7847 | 1580.7836 | 0.711 |
[93–112]+DATDH | 739.7317 | 3 | 2217.1805 | 2216.1769 | † |
[93–112]+DATDH | 1108.5933 | 2 | 2216.1793 | 2216.1769 | 1.094 |
[99–112] | 701.3835 | 2 | 1401.7597 | 1401.7584 | 0.944 |
[99–112] | 1401.7600 | 1 | 1401.7600 | 1401.7584 | 1.141 |
[99–112]+DATDH | 815.4392 | 2 | 1629.8711 | 1629.8694 | 1.057 |
[113–121]+DATDH | 651.2957 | 2 | 1301.5841 | 1301.5831 | 0.786 |
[113–121]+DATDH | 1301.5850 | 1 | 1301.5850 | 1301.5831 | 1.460 |
[122–138] | 604.2972 | 3 | 1810.8770 | 1809.8912 | -* |
[130–138] | 555.2745 | 2 | 1109.5417 | 1109.5408 | 0.832 |
Errors for these ions are greater than expected since these digest products contain asparagine vicinal to glycine residues and are therefore subject to facile deamidation. For the ion at m/z 844.4092 deamidation is incomplete but the monoisotopic peak is very close to the baseline. For the ion at m/z 604.2972 complete deamidation increases the observed mass by approximately 1 Da.
The monoisotopic peak for this ion is obscured by the doubly charged [31–44] at m/z 738.8725.