Table 4.
m0 | M1 | m2 | m3 | m4 | m5 | ||
Ala-57 | measured | 0.676 | 0.145 | 0.025 | 0.154 | ||
estimated | 0.670 | 0.140 | 0.042 | 0.148 | |||
Gly-57 | measured | 0.768 | 0.073 | 0.158 | |||
estimated | 0.769 | 0.072 | 0.159 | ||||
Val-57 | measured | 0.463 | 0.189 | 0.164 | 0.133 | 0.021 | 0.030 |
estimated | 0.472 | 0.179 | 0.164 | 0.134 | 0.025 | 0.026 | |
Ser-57 | measured | 0.651 | 0.170 | 0.082 | 0.097 | ||
estimated | 0.657 | 0.163 | 0.087 | 0.093 | |||
Phe-57 | measured | 0.324 | 0.160 | 0.150 | 0.150 | 0.104 | 0.051 |
estimated | 0.334 | 0.169 | 0.139 | 0.141 | 0.104 | 0.055 | |
Asp-57 | measured | 0.586 | 0.185 | 0.102 | 0.116 | 0.010 | |
estimated | 0.582 | 0.183 | 0.104 | 0.117 | 0.014 | ||
Glu-57 | measured | 0.435 | 0.211 | 0.227 | 0.091 | 0.028 | 0.009 |
estimated | 0.436 | 0.207 | 0.229 | 0.088 | 0.031 | 0.010 | |
His-57 | measured | 0.477 | 0.223 | 0.099 | 0.073 | 0.032 | 0.080 |
estimated | 0.466 | 0.232 | 0.099 | 0.072 | 0.047 | 0.071 | |
Val-159 | measured | 0.484 | 0.162 | 0.272 | 0.050 | 0.031 | |
estimated | 0.495 | 0.168 | 0.263 | 0.042 | 0.031 | ||
Leu-159 | measured | 0.346 | 0.256 | 0.246 | 0.110 | 0.032 | 0.010 |
estimated | 0.359 | 0.258 | 0.237 | 0.103 | 0.034 | 0.009 | |
Ile-159 | measured | 0.446 | 0.201 | 0.228 | 0.086 | 0.033 | 0.007 |
estimated | 0.436 | 0.207 | 0.229 | 0.088 | 0.031 | 0.010 | |
Ser-159 | measured | 0.693 | 0.206 | 0.101 | |||
estimated | 0.689 | 0.203 | 0.108 | ||||
Phe-159 | measured | 0.351 | 0.164 | 0.212 | 0.084 | 0.105 | 0.040 |
estimated | 0.350 | 0.162 | 0.214 | 0.084 | 0.105 | 0.037 |
The underlined values are those used for 13C MFA based on the threshold (value > 0.06, error < 3%).-57 and -159 in amino acids indicate [M-57] and [M-159] groups of GC-MS analysis, whose ion fragments have high intensities [26, 42, 43].