Skip to main content
. Author manuscript; available in PMC: 2015 May 1.
Published in final edited form as: Proteomics. 2014 Mar 12;14(10):1141–1151. doi: 10.1002/pmic.201300394

Table 1.

Digest product ions of PilE from 278534 strain (from Figure 2).

Digestion Product Measured m/z Charge Measured Monoisotopic Mass [M+H]+ Theoretical Monoisotopic Mass [M+H]+ Error (ppm)
[130]+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.