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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