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Table 2 Spectral (UV and ESI-MS/MS) and chromatographic data (retention time, tR) of phenols (1–14) detected in R. nigrum bud preparation

From: Negative effects of a high tumour necrosis factor-α concentration on human gingival mesenchymal stem cell trophism: the use of natural compounds as modulatory agents

Peak Compound tR (min) M [M − H] MS/MS base peak (m/z) MS/MS ions (m/z) λmax (nm)
  Phenolic acids       
1 Caffeoylquinic acid 17.7 354 353 179 191, 173, 135 257, 325
2 3-p-Coumaroylquinic acid 25.2 338 337 163 293, 203, 191,173 313
3 Caffeoylquinic acid 29.6 354 353 179 191, 173, 155, 135 257, 329
4 Caffeoylquinic acid 32.3 354 353 191 179, 173, 135 257, 329
5 4-p-Coumaroylquinic acid 41.6 338 337 173 293, 191, 173, 163, 155 313
7 5-p-Coumaroylquinic acid 45.8 338 337 191 293, 207, 173, 163 314
  Flavonol glycosides       
6 Kaempferol di-hexoside 44.4 610 609 447 573, 489, 285, 179 270, 356
8 Myricetin 3-O-rutinoside 55.1 626 625 317 607, 479, 271, 243, 203, 179 270, 357
9 Myricetin 3-O-glucoside and/or myricetin 3-O-galactoside 55.9 480 479 317 461, 271, 179, 151 269, 358
10 Quercetin 3-O-rutinoside (rutin) 61.1 610 609 301 591, 447, 271, 243, 179 265, 356
11 Quercetin 3-O-glucoside (isoquercitrin) and/or quercetin 3-O-galactoside (hyperoside) 62.3 464 463 301 445, 273, 179 257, 356
12 Kaempferol 3-O-rutinoside 66.3 594 593 285 447, 257, 229, 179 270, 350
13 Kaempferol 3-O-glucoside (astragalin) 67.1 448 447 285 257, 229, 179 268, 349
14 Isorhamnetin glucoside and/or isorhamnetin galactoside 67.8 478 477 315 285, 271, 243, 229, 179 271, 356
  1. Compound numbers correspond with peak numbers in Fig. 5