TABLE 1.
Annotated VIP responsible for Viscum album host tree discrimination in negative and positive ionization modes.
| Discrimination in the negative ESI mode | ||||||
|---|---|---|---|---|---|---|
| Rt | Molecular formula | Adduct | Theoretical m/z | Experimental m/z | Error (ppm) | Annotated compound (chemical class) |
| 1.28 | C21H30O13 | [M-H]− | 489.16026 | 489.16273 | -5.05 | 6′-O-β-D-Apiofuranosylsweroside (Monoterpene) |
| 4.14 | - | - | - | 581.15189 | - | Flavanone base-hexose-pentose |
| 6.39 | C26H30O14 | [M-H]− | 565.15628 | 565.15796 | -2.97 | Naringenin-pentose-hexose (Flavanone) |
| 7.18 | C29H34O17 | [M + CHO2]− | 699.17836 | 699.18026 | -2.71 | 2-Hydroxy-4-(6-hydroxy-5,7-dimethoxy-4-oxo-4H-chromen-3-yl)phenyl 6-O-hexopyranosylhexopyranoside (Isoflavone) |
| Discrimination in the positive ESI mode | ||||||
| 1.15 | C14H18O8 | [M + NH4]+ | 332.13399 | 332.13379 | 0.60 | (4-(beta-D-Glucopyranosyloxy)phenyl)acetic acid (Organic acid) |
| 1.61 | C27H24O9 | [M + NH4]+ | 390.17530 | 390.17578 | -1.23 | Syringin = eleutheroside B (phenylpropanoid glycoside) |
| 6.10 | C31H40O15 | [M + NH4]+ | 670.27219 | 670.27151 | 1.02 | [5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (Phenylpropanoid) |
| 6.27 | C26H30O14 | [M + H]+ | 567.17083 | 567.17084 | -0.02 | Naringenin-pentose-hexose (Flavanone) |