Skip to main content

Advertisement

Table 1 Retention times, ultraviolet–visible absorption maxima, and mass spectral data of phenolic acids and flavonoids in leaves of lettuce cultivars

From: Identification and quantification of selected metabolites in differently pigmented leaves of lettuce (Lactuca sativa L.) cultivars harvested at mature and bolting stages

Peak no tR (min) UV λmax (nm) Neutral mass (Da) Observed m/z [M-H] Dimer and fragment ions in ESI/MS/MS Mass error, ppm Identification
1 1.32 300sh, 326 354.0951 353.08698 707.18302 [2M-H], 191.05512 [Quin-H], 85.02891 − 2.3 1-O-Caffeoylquinic acid (1-CQA)
2 1.54 300sh, 324 354.0951 353.08674 707.18124 [2M-H], 191.05503 [Quin-H], 179.03365 − 3.0 3-O-Caffeoylquinic acid (3-CQA)
3 2.39 300sh, 324 354.0951 353.08697 707.18302[2M-H], 191.05512[Quin-H], 85.02891 − 2.4 5-O-Caffeoylquinic acid (5-CQA)
4 4.64 328 368.1107 367.1025 191.05493, 134.03524 − 2.6 5-Feruloylquinic acid (5-FQA)
5 6.62 301sh, 324 474.0798 473.0719 947.15066 [2M-H]-, 311.03986 [Caftar-H], 293.02929 [Caftar-H-H2O], 179.03366 [Caffeic–H], 149.00859 [Tartaric–H] 133.02836, 112.98729 − 1.4 Dicaffeoyltartaric acid (DCTA)
6 7.36 328 462.0798 461.07175 285.03951, 133.02837 − 1.7 Kaempferol glucuronide (KGR)
7 7.79 252, 360 550.09587 549.08832 1099.18568 [2M-H], 505.09879 [M-H-CO2], 300.02672 [Yo-H], 271.02369, 255.02863 [Yo-CHO-OH] − 0.5 Quercetin malonylglucoside (QMG)
8 8.66 330 516.1268 515.1190 1031.24625 [2M-H], 353.08678[Cafquin-H], 191.05486 [Quin-H]-, 179.03376 [Caffeic-H]-, 135.4416 [Caffeic-H–CO2] − 1.0 Dicaffeoylquinic acid (DCQA)
9 8.88 348 534.1009 533.09327 489.10292, 285.03897 [luteolin-H]-284.03133, 133.02831 − 0.7 Kaempferol malonylglucoside (KMG)
10 9.53 328 476.0955 475.08749 951.18882 [2M-H], 299.05492, 285.03121, 284.03121 − 1.5 Methylkaempferol glucuronide (MKGR)