Peak number | tR (min) | Molecular formula | m/z experimental | m/z calculated | Error (ppm) | IT/MS/MS fragment |
---|---|---|---|---|---|---|
1* | 29.03 | C18H19O7Cl | 383.0913 | 383.0892 | 5.48 | 365, 137 |
2 | 32.12 | C18H19O6Cl | 367.0920 | 367.0941 | −5.72 | 137 |
3 | 32.54 | C18H19O7Cl | 383.0913 | 383.0892 | 5.48 | 365, 137 |
4 | 35.01 | C18H19O6Cl | 367.0955 | 367.0943 | 3.27 | 137 |
5 | 35.87 | C17H17O5Cl | 337.0821 | 337.0837 | −4.75 | 319, 195 |
6 | 36.59 | C17H17O6Cl | 353.0820 | 353.0786 | 9.63 | 335 |
7 | 39.29 | C17H17O5Cl | 337.0844 | 337.0837 | 2.08 | 319, 195 |
8 | 41.32 | C18H16O6 | 329.1017 | 329.1020 | −0.91 | 137, 122 |
9 | 41.48 | C18H20O5 | 317.1376 | 317.1384 | −2.52 | 121, 299 |
10 | 42.09 | C18H18O6 | 331.1164 | 331.1176 | −3.62 | 313 |
11* | 42.99 | C17H17O5Cl | 337.0821 | 337.0837 | −4.75 | 319, 195 |
12 | 45.09 | C17H14O5 | 299.0904 | 299.0914 | −3.34 | 193, 148 |
13 | 46.62 | C19H18O6 | 343.1173 | 343.1176 | −0.87 | 207, 192 |
14 | 48.47 | C18H16O5 | 313.1072 | 313.1071 | 0.32 | 206, 191 |
15 | 48.99 | C17H17O5Cl | 337.0844 | 337.0837 | 2.08 | 319, 195 |
16* | 49.37 | C19H18O6 | 343.1176 | 343.1176 | 0 | 137 |
17* | 50.16 | C18H16O5 | 313.1072 | 313.1071 | 0.32 | 137 |
18 | 51.35 | C17H17O4Cl | 321.0889 | 321.0888 | 0.31 | 303, 212 |
19 | 51.77 | C17H14O4 | 283.0965 | 283.0965 | 0 | 192 |
20 | 52.89 | C18H16O5 | 313.1071 | 313.1071 | 0 | 137 |
21* | 57.51 | C18H16O5 | 313.1071 | 313.1071 | 0 | 121, 192 |
22 | 58.06 | C19H18O4 | 327.1227 | 327.1227 | 0 | 220 |
23* | 58.48 | C17H14O4 | 283.0965 | 283.0965 | 0 | 192 |
24 | 58.98 | C20H20O6 | 357.1339 | 357.1333 | 1.68 | 137, 220 |
25 | 63.28 | C18H16O4 | 297.1123 | 297.1121 | 0.67 | 121 |
26* | 64.80 | C17H14O3 | 267.1011 | 267.1016 | −1.87 | 107 |
27 | 66.05 | C18H15O5Cl | 347.0681 | 347.0681 | 0 | 137 |
28* | 67.35 | C19H18O5 | 327.1229 | 327.1227 | 0.61 | 137 |
29 | 67.78 | C18H16O4 | 297.1126 | 297.1121 | 1.68 | 206, 191 |
30 | 69.14 | C18H16O4 | 297.1123 | 297.1121 | 0.67 | 107, 191 |
31 | 71.68 | C19H18O5 | 327.1127 | 327.1127 | 0 | 137 |
32* | 73.00 | C17H14O3 | 267.1016 | 267.1016 | 0 | 176 |
33 | 75.58 | C19H18O6 | 343.1176 | 343.1176 | 0 | 137, 167 |
34 | 77.18 | C19H16O5 | 325.1063 | 325.1071 | −2.46 | 151 |
35* | 82.33 | C20H20O5 | 341.1381 | 341.1384 | −0.88 | 121, 220 |
36* | 83.90 | C19H18O4 | 311.1277 | 311.1278 | −0.32 | 181, 220 |
37 | 85.35 | C19H18O6 | 343.1176 | 343.1176 | 0 | 121 |
38 | 86.96 | C18H16O5 | 313.1071 | 313.1071 | 0 | 222 |
39* | 91.24 | C17H13O3Cl | 301.0625 | 301.0626 | −0.33 | 210, 170 |
40 | 92.32 | C17H14O2 | 251.1067 | 251.1067 | 0 | Â |
41* | 93.55 | C19H18O4 | 311.1277 | 311.1278 | −0.32 | 121, 190 |