Table IX. Unidentified modifications from “blind Search.” All data from Orbitrap runs; all cysteines are alkylated; the bolded residue is the probable location of the modification with mass given in delta mass column. MRAB, median relative abundance; PIIF, peptide identification frequency. Rank, based on peptide identification significance, PSIG.
| Rank | PSIG | Observed m/z | z | Sequence | Delta mass | MRAB | PIIF | Possible modification |
|---|---|---|---|---|---|---|---|---|
| 1 | 0.09 | 561.242 | 3 | QNCELFEQLGEYK | 23.957 | 0.0110 | 0.72 | |
| 2 | 0.09 | 554.913 | 3 | AAFTECCQAADK | 291.156 | 0.0125 | 0.60 | |
| 3 | 0.07 | 432.215 | 3 | AVMDDFAAFVEK | −48.005 | 0.0086 | 0.41 | Dethiomethyl |
| 4 | 0.07 | 462.215 | 2 | DDNPNLPR | −17.0254 | 0.0068 | 0.68 | −NH3 |
| 5 | 0.06 | 836.099 | 3 | ALVLIAFAQYLQQCPFEDHVK | 15.996 | 0.0084 | 0.45 | Oxidation |
| 6 | 0.06 | 528.938 | 3 | LKECCEKPLLEK | 37.941 | 0.0059 | 0.61 | +Ca (position?) |
| 7 | 0.06 | 839.840 | 2 | QNCELFEQLGEYK | 20.919 | 0.0060 | 0.58 | |
| 8 | 0.05 | 539.600 | 3 | LKECCEKPLLEK | 69.988 | 0.0038 | 0.75 | +C3H2S |
| 9 | 0.04 | 501.287 | 3 | HPDYSVVLLLR | 190.105 | 0.0051 | 0.40 | |
| 10 | 0.04 | 453.210 | 2 | DDNPNLPR | −35.037 | 0.0023 | 0.57 | −(H2O + NH3) |
| 11 | 0.04 | 417.540 | 3 | FKDLGEENFK | 23.953 | 0.0027 | 0.49 | |
| 12 | 0.04 | 632.778 | 2 | FKDLGEENFK | 37.944 | 0.0022 | 0.66 | +Ca (from search of unidentified mod.) |
| 13 | 0.03 | 462.848 | 3 | ETYGEMADCCAK | −48.005 | 0.0020 | 0.48 | CH4S |
| 14 | 0.03 | 497.937 | 3 | HPDYSVVLLLR | 180.053 | 0.0018 | 0.48 | |
| 15 | 0.02 | 472.271 | 2 | FQNALLVR | −17.027 | 0.0010 | 0.50 | −NH3 (position?) |
| 16 | 0.02 | 502.257 | 2 | LCTVATLR | 69.988 | 0.0011 | 0.41 | +C3H2S |
| 17 | 0.02 | 652.377 | 2 | LVAASQAALGL | 290.147 | 0.0009 | 0.48 | |
| 18 | 0.01 | 633.803 | 2 | FKDLGEENFK | 39.994 | 0.0004 | 0.40 | C2O |