Table 1.
Retention Time | M−H | M−H Formula | Error (ppm) | MSE Fragments | UV | Tentative Identification |
---|---|---|---|---|---|---|
0.8 | 195.0493 | C6H11O7 | −6.2 | 227 | Gluconic acid | |
0.8 | 133.0127 | C4H4O5 | −7.5 | Malic acid | ||
0.92 | 191.0181 | C6H7O7 | 0.6 | 155.127,111 | 280 | Quinic acid |
2.464 | 315.0707 | C13H15O9 | −2.9 | 153.109 | 306 | Protocatechuoyl-hexose |
2.72 | 771.1898 | C33H39O21 | −0.6 | 609.285 | 265.347 | Kaempferol 3-O-sophoroside 7-O-hexoside |
3.08 | 609.1463 | C27H29O16 | 1.1 | 447.285 | 265.341 | kaempferol-dihexoside |
3.47 | 431.1916 | C20H31O10 | −0.2 | 385.153,97 | 330 | Unknown |
3.6 | 609.1488 | C27H29O16 | 5.3 | 285.255 | 264.340 | Kaempferol 3-O-sophoroside |
4.14 | 447.0947 | C21H19O11 | 4.2 | 285.255,99 | 264.350 | Kaempferol hexoside |
4.3 | 449.0743 | C20H17O12 | 5.1 | 363.157,97 | 364.350 | Myricetin 3-O-arabinoside |
5.89 | 269.0488 | C15H10O5 | −0.2 | 151.133,119,97 | 262 | Apigenin |
6.37 | 327.2166 | C18H31O5 | 1.5 | 229. 211,171,97 | weak | unknown |
6.85 | 329.2328 | C18H33O5 | 0.2 | 211.171,97 | 270 | unknown |
7.73 | 307.191 | C18H27O4 | 0.3 | 235.121 | 311 | unknown |
7.91 | 307.1913 | C18H27O4 | 1.3 | 235.220,121,99 | 240 | unknown |
8.25 | 305.1747 | C18H25O4 | −2.6 | 249. 135 | 319 | unknown |
9.90 | 291.1958 | C18H27O3 | −0.7 | 277.265,121 | 280 | unknown |
10.37 | 293.211 | C18H29O3 | −2.4 | 255.185,143 | 280 | unknown |
12.07 | 591.2595 | C34H39O9 | 0.2 | 515.325,183,149 | 409 | unknown |