TABLE 3.
Summary of ions produced during MS/MS of the PlyL-released m/z 1994.89 parent ion
|
m/z
|
Δcalc-obsa
|
Ion
typeb
|
Proposed
structurec
|
|
|---|---|---|---|---|
| Observed | Calculated | |||
| 70.07 | 70.13 | 0.07 | Immonium | P |
| 110.07 | 110.15 | 0.08 | Immonium | H |
| 247.13 | 247.24 | 0.11 | a2 | HH |
| 260.10 | 260.19 | 0.08 | i | GW |
| 275.13 | 275.21 | 0.09 | b2 | HH |
| 332.15 | 332.23 | 0.08 | i | HHG |
| 397.16 | 397.27 | 0.11 | i | HGW |
| 412.18 | 412.27 | 0.09 | b3 | HHH |
| 510.25 | 510.32 | 0.08 | i | HGWI |
| 521.25 | 521.31 | 0.06 | a4 | HHHH |
| 534.22 | 534.29 | 0.07 | i | HHGW |
| 549.24 | 549.36 | 0.12 | b4 | HHHH |
| 623.33 | 623.39 | 0.06 | i | HGWIL |
| 658.31 | 658.40 | 0.09 | a5 | HHHHH |
| 686.30 | 686.37 | 0.07 | b5 | HHHHH |
| 687.33 | 688.42 | 1.09 | y6 | l-Ala-d-iGln-(PVT-)m-Dap |
| 760.39 | 760.45 | 0.06 | i | HHGWIL |
| 795.37 | 795.47 | 0.11 | a6 | HHHHHH |
| 823.36 | 823.44 | 0.08 | b6 | HHHHHH |
| 880.38 | 880.49 | 0.11 | b7 | HHHHHHG |
| 1034.51 | 1034.68 | 0.17 | i | HHHHGWIL |
| 1054.46 | 1054.59 | 0.13 | a8 | HHHHHHGW |
| 1082.46 | 1082.61 | 0.15 | b8 | HHHHHHGW |
| 1167.55 | 1167.78 | 0.23 | a9 | HHHHHHGWI |
| 1171.57 | 1171.80 | 0.23 | i | HHHHHGWILP |
| 1195.54 | 1195.71 | 0.17 | b9 | HHHHHHGWI |
| 1280.63 | 1280.79 | 0.16 | a10 | HHHHHHGWIL |
| 1308.62 | 1308.82 | 0.19 | b10 | HHHHHHGWIL |
| 1446.71 | 1446.95 | 0.24 | y12 | l-Ala-d-iGln-(HHGWILPVT-)m-Dap |
| 1504.75 | 1505.06 | 0.32 | b12 | HHHHHHGWILPV |
| 1583.77 | 1584.10 | 0.33 | y13 | l-Ala-d-iGln-(HHHGWILPVT-)m-Dap |
| 1703.80 | 1704.17 | 0.36 | y14-NH3 | l-Ala-d-iGln-(HHHHGWILPVT-)m-Dap |
| 1720.83 | 1721.16 | 0.33 | y14 | l-Ala-d-iGln-(HHHHGWILPVT-)m-Dap |
| 1795.85 | 1795.27 | −0.58 | b14+H2O | HHHHHHGWILPVT-m-Dap |
a
The difference between the monoisotopic calculated and observed m/z of fragment ions.
b
i denotes internal ions.
c
W is modified as hydroxytryptophan (HTRP).