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Table 1 The list of modified peptides and their corresponding fragment ions used for quantification in clinical samples

From: Targeted quantification of N-1-(carboxymethyl) valine and N-1-(carboxyethyl) valine peptides of β-hemoglobin for better diagnostics in diabetes

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 + )