Table 2.
Simplified peak list from the MS/MS analysis of the longer peptide. Comments indicate how the fragments were assigned. Residues linking up within the fragment series are indicated. Complementary y/b ions are listed for both CID and ETD data. Detailed explanation is in the text, and for complete lists, see Suppl. Tables 1 and 2.
| CID | corr. CID fragments | ETD | ||||||
|---|---|---|---|---|---|---|---|---|
| deconv. | Comments | Residues | comp.f. | b | y | deconv. | Comment | Residues |
| ProPro | 180.0532 | 213.0984 | 197.0797 | z2 for GH | {HisGly} | |||
| 342.1808 | b, based on ETD | Phe↑ | 5559.6 | 195.1128 | 228.1580 | 212.1393 | c2 for PP | ProPro |
| 349.1504 | 5552.6 | 298.1672 | 331.2124 | 315.1937 | ||||
| 461.2555 | a, correct mass | 5440.5 | 309.0639 | 342.1091 | 326.0904 | |||
| 489.2495 | b, based on ETD | Phe↑ | 5412.6 | 327.1700 | 360.2152 | 344.1965 | ||
| 506.2758 | 5395.5 | 342.1809 | 375.2261 | 359.2074 | c3, CID & MS comp | Phe↑ | ||
| 634.3351 | c, based on ETD | Gln↑ | 5267.5 | 398.1492 | 431.1944 | 415.1757 | ||
| 728.3748 | 5173.4 | 474.2378 | 507.2830 | 491.2643 | ||||
| 745.4025 | b, based on ETD | Lys↑ | 5156.4 | 489.2485 | 522.2937 | 506.2750 | c4, based on CID | Phe↑ |
| 788.3290 | 5113.5 | 539.2383 | 572.2835 | 556.2648 | ||||
| 848.4122 | 5053.4 | 617.3072 | 650.3524 | 634.3337 | c5, MS-comp | Gln↑ | ||
| 905.4288 | b, based on ETD | 4996.4 | 668.2931 | 701.3383 | 685.3196 | |||
| 976.4706 | b, based on ETD | Ala↑ | 4925.3 | 745.4035 | 778.4487 | 762.4300 | c6, based on CID | Lys↑ |
| 1004.4040 | 4897.4 | 848.4116 | 881.4568 | 865.4381 | c7, based on CID | Cys↑ | ||
| 1095.5432 | a, correct mass | 4806.3 | 890.4171 | 923.4623 | 907.4436 | |||
| 1105.5262 | b-water | 4796.3 | 905.4335 | 938.4787 | 922.4600 | c8, based on CID | Gly↑ | |
| 1123.5374 | b, based on ETD | 4778.3 | 976.4692 | 1009.5145 | 993.4958 | c9, based on CID | Ala↑ | |
| 1135.4384 | 4766.4 | 1123.5376 | 1156.5829 | 1140.5642 | c10, based on CID | Phe↑ | ||
| 1337.6290 | b, based on ETD | 4564.2 | 1218.4608 | 1251.5061 | 1235.4874 | |||
| 1621.6580 | y, based on ETD | 4280.1 | 1222.6068 | 1255.6521 | 1239.6334 | c11, from mass diff; acc | Val↑ | |
| 1735.7065 | y, based on ETD | 4166.1 | 1337.6322 | 1370.6775 | 1354.6588 | c12, based on CID | Asp↑ | |
| 1813.8824 | 4087.9 | 1424.6648 | 1457.7101 | 1441.6914 | c13, from mass diff; acc | Ser↑ | ||
| 1841.8738 | 4059.9 | 1425.6704 | 1458.7156 | 1442.6969 | ||||
| 1977.8071 | y, from mass diff; acc. | 3924.0 | 1466.5924 | 1499.6377 | 1483.6190 | |||
| 2059.8556 | y-ammonia | 3841.9 | 1555.6426 | 1588.6879 | 1572.6692 | |||
| 2076.8722 | y, based on ETD | Val↑ | 3824.9 | 1587.7274 | 1620.7727 | 1604.7540 | c14, from mass diff; acc | Tyr↑ |
| 2117.0048 | 3784.8 | 1604.6362 | 1637.6815 | 1621.6628 | must be y ion | |||
| 2191.8922 | Asp↑ | 3709.9 | 1750.7906 | 1783.8359 | 1767.8172 | c15, from mass diff; acc | Tyr↑ | |
| 2277.8844 | y-ammonia | 3623.9 | 1797.7370 | 1830.7823 | 1814.7636 | |||
| 2294.9131 | y, based on ‘b’ | Cys↑ | 3606.9 | 1846.7344 | 1879.7797 | 1863.7610 | ||
| 2310.9109 | 3590.9 | 1897.8578 | 1930.9031 | 1914.8844 | c16, from mass diff; acc | Phe↑ | ||
| 2387.9323 | 3513.9 | 1911.7830 | 1944.8283 | 1928.8096 | ||||
| 2404.9582 | y-water | 3496.8 | 1944.7648 | 1977.8101 | 1961.7914 | |||
| 2422.9661 | y, based on ‘b’ | 3478.8 | 2011.9030 | 2044.9483 | 2028.9296 | c17, from mass diff; acc | Asn↑ | |
| 2430.9634 | 3470.8 | 2151.9926 | 2185.0379 | 2169.0192 | ||||
| 2479.9888 | y, based on ‘b’ | 3421.8 | 2168.0048 | 2201.0501 | 2185.0314 | c18, from mass diff; acc | Arg↑ | |
| 2625.0301 | y-water | 3276.8 | 2168.0031 | 2201.0484 | 2185.0297 | |||
| 2626.0329 | y-ammonia | 3275.8 | 2174.8794 | 2207.9247 | 2191.9060 | |||
| 2643.0533 | y, based on ‘b’ | 3258.7 | 2228.8854 | 2261.9307 | 2245.9120 | |||
| 2728.2748 | 3173.5 | 2255.0190 | 2288.0643 | 2272.0456 | c19, from mass diff; acc | Ser↑ | ||
| 2790.1297 | y, based on ‘b’ | 3111.7 | 2390.9206 | 2423.9659 | 2407.9472 | |||
| 2799.3484 | a, b-a pair | 3102.5 | 2525.2424 | 2558.2877 | 2542.2690 | |||
| 2827.3435 | b, b-a pair | 3074.5 | 3345.3153 | 3378.3606 | 3362.3419 | |||
| 2936.4127 | a, b-a pair | 2965.4 | 3701.5464 | 3734.5917 | 3718.5730 | |||
| 2964.4032 | b, b-a pair | His↑ | 2937.4 | 3971.6732 | 4004.7184 | 3988.6997 | ||
| 3014.4105 | 2887.4 | 3972.6891 | 4005.7344 | 3989.7157 | ||||
| 3083.4793 | a, b-a pair | 2818.3 | 4117.7216 | 4150.7668 | 4134.7481 | |||
| 3111.4722 | b, b-a pair | Phe↑ | 2790.3 | 4281.8544 | 4314.8996 | 4298.8809 | ||
| 3161.4809 | 2740.3 | 4444.8224 | 4477.8676 | 4461.8489 | ||||
| 3230.5462 | a, b-a pair | 2671.3 | ||||||
| 3258.5382 | b, b-a pair | Phe↑ | 2643.3 | |||||
| 3393.6097 | a, b-a pair | 2508.2 | ||||||
| 3421.6042 | b, b-a pair | Tyr↑ | 2480.2 | |||||
| 3478.6262 | b, from mass diff; acc. | Gly↑ | 2423.2 | |||||
| 3495.6442 | 2406.2 | |||||||
| 3578.6767 | a, b-a pair | 2323.1 | ||||||
| 3606.6845 | b, b-a pair | Gln↑ | 2295.1 | |||||