Table 1 The list of modified peptides and their corresponding fragment ions used for quantification in clinical samples
Sl. N | Mod site | Peptide sequence | Peptide MH + Da | Monoisotopic m/z Da (mmu/ppm) | CS | Mod | Fragment ions used for quantification | ||
|---|---|---|---|---|---|---|---|---|---|
Alpha chain of hemoglobin | |||||||||
1 | K 7 and K 11 | VLSPADKTNVK*AAWGK | 1741.0936 | 436.491 Da (−0.49 mmu/−1.02 ppm), | 4 | CML | 204.133 (y +2 ) | 390.2130 (y +3 ) | |
2 | K 7 | VLSPADK*TNVK | 1229.67131 | 615.33929 Da (−1.17 mmu/−1.9 ppm), | 2 | CML | 213.1592 (b +2 ) | 300.1912 (b +3 ) | 769.4085 (b +7 ) |
3 | K 16 | AAWGK*VGAHAGEYGAEALER | 2205.04978 | 735.68811 Da (−2.47 mmu/−3.36 ppm), | 3 | DFL | 329.1602 (b +3 ) | 386.1817 (b +4 ) | 417.2450 (y +3 ) |
4 | K 16 | AAWGK*VGAHAGEYGAEALER | 2101.01455 | 526.00909 Da (+1.18 mmu/+ 2.24 ppm), | 4 | CML | 386.1817 (b +4 ) | 572.2821 (b +5 ) | 688.3618 (y +6 ) |
5 | K 61 | K*VADALTNAVAHVDDMPNALSALSDLHAHK | 3182.58649 | 637.32312 Da (−0.71 mmu/−1.11 ppm) | 5 | CML | 286.1755 (b +2 ) | 357.2127 (b +3 ) | 720.3781 (y +6 ) |
6 | K 90 | VADALTNAVAHVDDMPNALSALSDLHAHK*LR | 3427.71986 | 686.34979 Da (−1.55 mmu/−2.26 ppm) | 5 | DFL | 578.3185 (y +3 ) | 715.3774 (y +4 ) | 923.4734 (y +6 ) |
7 | K 90 | KVADALTNAVAHVDDMPNALSALSDLHAHK*LR | 3555.81860 | 593.47583 Da (−0.66 mmu/−1.12 ppm), | 6 | DFL | 578.3185 (y +3 ) | 715.3774 (y +4 ) | 786.4145 (y +5 ) |
8 | K 40 and K 56 | MFLSFPTTK*TYFPHFDLSHGSAQVK*GHGK | 3381.6435 | 677.13452 Da (+1.46 mmu/+ 2.15 ppm) | 5 | CML and CML | 626.3001 (b +5 ) | 811.4415 (y +7 ) | |
9 | K 61 and K 90 | K*VADALTNAVAHVDDMPNALSALSDLHAHK*LR | 3525.7761 | 705.96106 Da (+0.11 mmu/+ 0.16 ppm) | 5 | CML, OXD and CML | 175.118 (y +1 ) | ||
10 | K 90 | VADALTNAVAHVDDMPNALSALSDLHAHK*LR | 3323.6833 | 665.54248 Da (+0.61 mmu/+ 0.91 ppm) | 5 | CML | 932.541 (y +7 ) | 1047.568 (y +8 ) | |
11 | K 139 | FLASVSTVLTSK*YR | 1629.8869 | 543.96716 Da (+0.75 mmu/+ 1.37 ppm) | 3 | CML | 175.1184 (y +1 ) | 611.3147 (y +4 ) | 605.3287 (b +6 ) |
12 | K 11 | TNVK*AAWGK | 1046.5608 | 523.78406 Da (−1.07 mmu/−2.04 ppm) | 2 | CEL | 515.2817 (b +4 ) | 586.3189 (b +5 ) | 732.4033 (y +6 ) |
13 | K 90 | VADALTNAVAHVDDMPNALSALSDLHAHK*LR | 3337.6939 | 668.34460 Da (−0.4 mmu/−0.6 ppm) | 5 | CEL | 833.4734 (y +6 ) | 1061.5844 (y +8 ) | |
14 | K 90 | KVADALTNAVAHVDDMPNALSALSDLHAHK*LR | 3465.7984 | 693.96552 Da (+1.52 mmu/+ 2.19 ppm) | 4 | CEL | 625.3774 (y +4 ) | 833.4734 (y +6 ) | |
15 | K 139 | FLASVSTVLTSK*YR | 1643.9034 | 548.63934 Da (+1.04 mmu/+ 1.9 ppm), | 3 | CEL | 175.1184 (y +1 ) | 938.5299 (y +7 ) | 518.2967 (b +5 ) |
Beta chain of hemoglobin | |||||||||
16 | V 1 | V*HLTPEEK | 1114.56072 | 557.78400 Da (−0.99 mmu/−1.77 ppm) | 2 | DFV | 1095.511 (b +8 ) | 853.4408 (y +7 ) | |
17 | V 1 | V*HLTPEEK | 1010.51164 | 505.75946 Da (−1.85 mmu/−3.66 ppm) | 2 | CMV | 295.1317 (b +2 ) | 605.3162 (b +5 ) | |
18 | V 1 and K 8 | V*HLTPEEK*SAVTALWGK | 1982.0245 | 661.34637 Da (+0.52 mmu/+ 0.78 ppm) | 3 | CMV and CML | 295.1395 (b +2 ) | 147.1122 (y +1 ) | 204.1337 (y +2 ) |
19 | V 1, K 8 and K 17 | V*HLTPEEK*SAVTALWGK*VNVDEVGGEALGR | 3335.6835 | 1112.56604 Da (+2.67 mmu/+ 2.4 ppm) | 3 | CMV, CML and CML | 295.1395 (b +2 ) | 659.3465 (y +7 ) | |
20 | K 59 and K 61 | FFESFGDLSTPDAVMGNPK*VK*AHGK | 2811.3238 | 703.58643 Da (−1.42 mmu/−2.02 ppm) | 4 | OXDN, CML and CML | 511.2181 (b +4 ) | 658.2866 (b +5 ) | 204.1337 (y +2 ) |
21 | K 66 and K 82 | K*VLGAFSDGLAHLDNLK*GTFATLSELHCDK | 3373.6704 | 675.53992 Da (−0.59 mmu/−0.88 ppm) | 5 | CML, CML and CABD | 187.1071 (b +1 ) | 286.1755 (b +2 ) | 527.3182 (b +5 ) |
22 | K 120 | LLGNVLVCVLAHHFGK*EFTPPVQAAYQK | 3194.6810 | 1065.56519 Da (−0.35 mmu/−0.33 ppm), | 3 | CABD And CML | 284.1963 (b +3 ) | 497.3076 (b +5 ) | |
23 | V 1 | V*HLTPEEK | 1024.5297 | 512.76849 Da (−0.64 mmu/−1.25 ppm) | 2 | CEV | 522.2790 (b +4 ) | 276.1548 (y +2 ) | |
24 | K 59 | FFESFGDLSTPDAVMGNPK*VK | 2374.1282 | 792.04761 Da (+0.33 mmu/+ 0.42 ppm) | 3 | OXD and CEL | 658.2866 (b +5 ) | 715.3080 (b +6 ) | |
25 | K 144 | VVAGVANALAHK*YH | 1521.8168 | 507.94379 Da (−0.16 mmu/−0.32 ppm) | 3 | CEL | 199.1435 (b +2 ) | ||
26 | K 144 | VVAGVANALAHK*YH | 1507.79827 | 754.40277 Da (−1.69 mmu/−2.24 ppm) | 2 | CML | 505.2399 (y +3 ) | 826.4201 (y +6 ) | |