Table 2.
RT (min) | Adducts | Formula | Measured value | Molecular weight | Name |
---|---|---|---|---|---|
0.769 | [M-H]− | C17H27N3O17P2 | 607.08107 | 606.07379 | UDP-n-Acetylglucosamine |
0.943 | [M-H]− | C6H12O7 | 196.05816 | 195.05075 | Gluconic acid |
0.945 | [M-H]− | C12H22O11 | 342.11583 | 341.10855 | α,α-Trehalose |
0.946 | [M-H]− | C6H12O6 | 180.06327 | 179.05606 | L-Sorbose |
0.999 | [M-H]− | C4H6O5 | 134.02147 | 133.01421 | DL-Malic acid |
1.113 | [M-H]− | C6H8O7 | 192.02686 | 191.01958 | Citric acid |
1.154 | [M-H]− | C4H6O4 | 118.02666 | 117.01942 | Succinic acid |
1.358 | [M-H]− | C7H6O5 | 170.02148 | 169.01421 | Gallic acid |
1.87 | [2M-H]− | C16H24O11 | 392.13228 | 391.12427 | Shanzhiside |
2.756 | [M-H]− | C16H18O9 | 354.0948 | 353.08759 | Neochlorogenic acid |
3.056 | [M-H]− | C16H24O10 | 376.13649 | 375.12929 | Mussaenosidic acid |
4.441 | [M-H]− | C16H24O10 | 376.13663 | 375.12943 | Loganic acid |
4.454 | [M-H]− | C16H18O9 | 354.0948 | 353.08762 | Cryptochlorogenic acid |
4.529 | [M-H]− | C9H6O4 | 178.02656 | 177.01924 | Esculetin |
4.554 | [M+FA-H]− | C23H34O15 | 550.18934 | 549.18079 | Genipin 1-O-β-D-gentiobioside |
4.663 | [M-H]− | C9H8O4 | 180.04225 | 179.03493 | Caffeic acid |
4.902 | [M-H]− | C16H18O9 | 354.0948 | 353.08762 | Chlorogenic acid |
5.028 | [M+FA-H]− | C17H24O10 | 388.13649 | 387.12878 | Geniposide |
5.69 | [M-H]− | C7H8O2 | 124.05246 | 123.04516 | 4-Hydroxybenzyl alcohol |
5.734 | [M-H]− | C9H8O3 | 164.04736 | 163.04008 | 3-Coumaric acid |
5.847 | [M-H]− | C8H14O4 | 174.08906 | 173.08179 | Suberic acid |
6.356 | [M-H]− | C11H12O5 | 224.06829 | 223.06102 | Sinapic acid |
6.384 | [M-H]− | C27H30O16 | 610.15473 | 609.14746 | Rutin |
6.556 | [M-H]− | C21H20O12 | 464.09505 | 643.08768 | Isoquercitrin |
6.729 | [M-H]− | C25H24O12 | 516.12591 | 515.11871 | Isochlorogenic acid B |
6.869 | [M-H]− | C27H30O15 | 594.1583 | 593.15118 | Kaempferol-3-O-rutinoside |
6.884 | [M-H]− | C25H24O12 | 516.12587 | 515.11884 | 3,5-Dicaffeoylquinic acid |
7.057 | [M-H]− | C21H20O11 | 448.10017 | 447.0929 | Astragalin |
7.234 | [M+cl]− | C25H24O12 | 516.12591 | 551.0954 | 4,5-Dicaffeoylquinic |
8.104 | [M-H]− | C15H20O4 | 264.13576 | 263.12848 | (±)-Abscisic acid |
8.451 | [M-H]− | C15H10O7 | 302.0424 | 301.03513 | Morin |
8.516 | [M-H]− | C15H10O6 | 286.04741 | 285.04013 | Luteolin |
10.273 | [M-H]− | C12H14O4 | 222.0889 | 221.08162 | Monobutyl phthalate |
11.813 | [M-H]− | C16H12O5 | 284.06801 | 283.06064 | Acacetin |
12.754 | [M-H]− | C18H34O4 | 314.24519 | 313.23782 | (+/-)12(13)-Dihome |
15.249 | [M-H]− | C31H46O5 | 498.33362 | 497.32639 | Poricoic acid A |
17.272 | [M-H]− | C32H50O5 | 514.36476 | 513.35754 | 3-O-Acetyl-1α-hydroxytrametenolic acid, pachymic acid |
17.806 | [M-H]− | C33H52O5 | 528.38028 | 527.37286 | Oleic acid alkyne |
17.917 | [M-H]− | C18H30O2 | 278.2242 | 277.21689 | Ursolic acid |
18.595 | [M-H]− | C30H48O3 | 456.3596 | 455.35211 | Ursolic acid |