Table I. LC-PDA-MS analysis (UV spectra, characteristic ions, and molecular masses) of phenolic acids and flavonoids in aqueous 80% methanol extracts of leaves of rose.
Data represent results from the analysis of samples from two independent experiments, each with three independent extractions. Compounds listed here were detected in all samples.
| Peak No.a | Rtb | LC-MS (Atmospheric Pressure Chemical Ionization, Negative Ion Mode) | HPLC-PDA, UV Spectra, λmax | Compound |
| min | m/z (% base peak) | nm | ||
| 1 | 10.5 | 347 [M–H]– (56), 301 (52), 139 (100) | 296sh,c 323 | Unknown phenolic acid |
| 2 | 12.4 | 353 [M–H]– (100), 191 (18), 179 (15) | 302sh, 329 | 3-O-Caffeoylquinic acid (neochlorogenic acid)d |
| 3 | 18.6 | 353 [M–H]– (100), 325 (29), 191 (19) | 298sh, 325 | 5-O-Caffeoylquinic acid (chlorogenic acid)d |
| 4 | 25.6 | 625 [M–H]– (100), 463 (28), 301 (9) | 253, 263sh, 353 | Quercetin-3-O-gentiobiosidee |
| 5 | 31.3 | 609 [M–H]– (100), 447 (21), 301 (8) | 265, 284sh, 348 | Quercetin diglycosideef |
| 6 | 41.8 | 615 [M–H]– (100), 493 (4), 463 (7), 441 (9), 301 (24) | 262, 291sh, 352 | Quercetin derivativef |
| 7 | 42.9 | 433 [M–H]– (7), 301 (100) | 255, 285sh, 348sh, 362 | Quercetin pentosidef |
| 8 | 44.7 | 463 [M–H]– (100), 301 (6) | 253, 299sh, 356sh, 364 | Quercetin-3-O-galactoside (hyperoside)d |
| 9 | 47.2 | 609 [M–H]– (100), 463 (67), 301 (19) | 256, 263sh, 298sh, 354 | Quercetin-3-O-rutinoside (rutin)d |
| 10 | 48.3 | 463 [M–H]– (100), 301 (22) | 256, 263sh, 299sh, 354 | Quercetin-3-O-glucoside (isoquercitrin)d |
| 11 | 54.7 | 433 [M–H]– (100), 301 (7) | 256, 263sh, 301sh, 352 | Quercetin-3-O-arabinoside (avicularin)d |
| 12 | 56.5 | 447 [M–H]– (100), 301 (10) | 256, 262sh, 305sh, 348 | Quercetin-3-O-rhamnoside (quercitrin)d |
| 13 | 63.5 | 417 [M–H]– (100), 285 (10) | 264, 294sh, 331sh, 345 | Kaempferol-3-O-pentosidef |
| 14 | 66.0 | 431 [M–H]– (100), 285 (9) | 263, 296sh, 324sh, 343 | Kaempferol-3-O-rhamnoside (afzelin)d |
a
Peak numbers correspond to the compound numbers in Figure 1 and Supplemental Figure S2.
b
Rt, Retention time on HPLC.
c
sh, Shoulder.
d
Conclusively identified by comparison with authentic standard.
e
Identification based on comparison of retention time, UV, and LC-MS data with data from the literature (Masada et al., 2009).
f
Tentatively identified by UV and mass spectral data.