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. 2018 Mar 12;18:209–233. doi: 10.1016/j.dib.2018.03.034

Table 10.

Disulfide bond SS10 (Cys141-Cys157) and SS11 (Cys159-Cys172) peptides.

Assignment Theoretical Mass (Da) Observed Mass (Da) Mass Error (Da) Intensity (counts) Identification
65 Fragments Constituent Peptides 19 fragments 1/y1 147.1133 147.1126 0.0007 1153 K
1/y2 260.1974 260.2021 −0.0047 167 LK
3/a2 145.0613 145.0646 −0.0033 400 DG
3/a5 518.2979 518.296 0.0018 109 DGFII
3/a8 890.426 890.3521 0.0739 84 DGFIIDQE
3/a9 977.458 977.3666 0.0914 120 DGFIIDQES
3/b1 116.0348 116.0532 −0.0184 28 D
3/b2 173.0562 173.0561 0.0001 645 DG
3/b3 320.1246 320.1256 −0.001 6533 DGF
3/b4 433.2087 433.2064 0.0023 1906 DGFI
3/b5 546.2927 546.2884 0.0043 325 DGFII
3/b6 661.3197 661.3064 0.0133 295 DGFIID
3/b9 1005.453 1005.383 0.0699 237 DGFIIDQES
3/y1 156.0773 156.0769 0.0004 4578 H
3/y2 293.1362 293.1368 −0.0006 1684 HH
3/y3 430.1951 430.1913 0.0038 1430 HHH
3/y4 567.254 567.2552 −0.0012 1460 HHHH
3/y5 704.3129 704.3094 0.0035 1025 HHHHH
3/y7 942.4196 942.4053 0.0143 568 THHHHHH


 

 

 

 

 


Cys141 to Cys157 11 Fragments 1/a1–2/a1 149.0207 149.1165 −0.0958 16 C=C
1/a2-2/a1 262.1048 262.1324 −0.0276 39 CL=C
1/a2-2/a2 377.1317 377.1469 −0.0152 258 CL=CD
1/a2-2/b1 290.0997 290.1243 −0.0246 45 CL=C
1/a2-2/b2 405.1266 405.1262 0.0005 230 CL=CD
1/y3-2/a2 551.2322 551.2063 0.0259 62 CLK=CD
1/b1–2/a2 292.0426 292.0312 0.0114 82 C=CD
1/b1–2/b1 205.0106 205.0966 −0.086 154 C=C
1/b2-2/b1 318.0946 318.0872 0.0074 36 CL=C
1/y3-2/b1 464.2001 464.214 −0.0139 41 CLK=C
1/y3-2/b2 579.2271 579.2289 −0.0018 1027 CLK=CD


 

 

 

 

 

 


Cys159 to Cys172 3 fragments 2/y2–3/a12 1527.682 1527.653 0.0291 242 CK=DGFIIDQESSIC
2/y2–3/y19 2497.089 2497.066 0.0227 994 CK=DGFIIDQESSICTHHHHHH
2/y3-3/a12 1642.709 1642.633 0.0763 69 DCK=DGFIIDQESSIC


 

 

 

 

 

 


T12, T14, and T16 Linkage 32 Fragments 1/a1–2/a3-3/a16 2156.8411 2156.815 0.0266 37 C=CDC=DGFIIDQESSICTHHH
1/a1–2/a3-3/y10 1609.5782 1609.559 0.0193 132 C=CDC=SICTHHHHHH
1/a1–2/a3-3/y14 2068.7383 2068.799 −0.0608 74 C=CDC=DQESSICTHHHHHH
1/a1–2/y4-3/y18 2673.0967 2673.159 −0.0623 62 C=CDCK=GFIIDQESSICTHHHHHH
1/a1–2/y4-3/y8 1583.5625 1583.616 −0.0533 363 C=CDCK=CTHHHHHH
1/a2-2/a3-3/a16 2269.925 2269.92 0.0051 921 CL=CDC=DGFIIDQESSICTHHH
1/a2-2/a3-3/a18 2544.043 2544.035 0.0076 58 CL=CDC=DGFIIDQESSICTHHHHH
1/a2-2/y4-3/a15 2306.9666 2306.904 0.0623 147 CL=CDCK=DGFIIDQESSICTHH
1/b1–2/b3-3/a12 1700.6064 1700.657 −0.0505 100 C=CDC=DGFIIDQESSIC
1/b1–2/b3-3/y14 2124.7283 2124.776 −0.0476 72 C=CDC=DQESSICTHHHHHH
1/b1–2/y4-3/a14 2084.8186 2084.862 −0.0437 85 C=CDCK=DGFIIDQESSICTH
1/b1–2/y4-3/y17 2644.0703 2644.117 −0.0471 2248 C=CDCK=FIIDQESSICTHHHHHH
1/b2-2/b3-3/a12 1813.6906 1813.709 −0.0181 63 CL=CDC=DGFIIDQESSIC
1/b2-2/b3-3/b13 1942.7332 1942.833 −0.0997 95 CL=CDC=DGFIIDQESSICT
1/b2-2/b3-3/y8 1578.536 1578.608 −0.0721 228 CL=CDC=CTHHHHHH
1/b2-2/b3-3/y9 1691.62 1691.693 −0.0729 105 CL=CDC=ICTHHHHHH
1/b2-2/y4-3/a14 2197.9026 2197.909 −0.0066 671 CL=CDCK=DGFIIDQESSICTH
1/b2-2/y4-3/b17 2637.0742 2637.017 0.0576 233 CL=CDCK=DGFIIDQESSICTHHHH
1/b2-2/y4-3/y10 1924.7576 1924.81 −0.0524 84 CL=CDCK=SICTHHHHHH
1/b2-2/y4-3/y16 2610.0859 2610.088 −0.0017 407 CL=CDCK=IIDQESSICTHHHHHH
1/y3-2/y4-3/a18 2892.2439 2892.164 0.0803 403 CLK=CDCK=DGFIIDQESSICTHHHHH
1/y3-2/y4-3/b14 2372.0032 2372.038 −0.0352 341 CLK=CDCK=DGFIIDQESSICTH
1/y3-2/y4-3/b18 2920.2388 2920.248 −0.0088 1160 CLK=CDCK=GFIIDQESSICTHHHHHH
1/y3-2/y4-3/y11 2157.8953 2157.893 0.0024 922 CLK=CDCK=SSICTHHHHHH
1/y3-2/y4-3/y13 2414.9963 2415.007 −0.011 897 CLK=CDCK=QESSICTHHHHHH
1/y3-2/y4-3/y14 2530.0232 2530.028 −0.0046 2415 CLK=CDCK=DQESSICTHHHHHH
1/y3-2/y4-3/y16 2756.1914 2756.2 −0.0088 1421 CLK=CDCK=IIDQESSICTHHHHHH
1/y3-2/y4-3/y18 2960.2812 2960.238 0.043 911 CLK=CDCK=GFIIDQESSICTHHHHHH
1/y3-2/y4-3/y19 3075.3081 3075.308 0.0005 42471 CLK=CDCK=DGFIIDQESSICTHHHHHH
1/y3-2/y4-3/y8 1870.7471 1870.768 −0.0212 131 CLK=CDCK=CTHHHHHH
1/y3-2/y4-3/z14 2512.9968 2513.063 −0.0657 102 CLK=CDCK=DQESSICTHHHHHH
1/y3-2/y4-3/z8 1853.7205 1853.793 −0.0724 66 CLK=CDCK=CTHHHHHH