Skip to main content
. 2021 Jun 15;10(6):535. doi: 10.3390/biology10060535

Table 3.

Tentative identification of the 29 phenolics from the walnut bark, and the standard equivalents used.

Phenolic Rt [M − H]− Fragmentation Pattern (m/z) Equivalents Expressed
(min) (m/z) MS2 MS3 MS4
Procyanidin dimer 2 11.67 577 425, 407, 451, 289 Procyanidin B1
(+)Catechin 12.43 289 245, 205, 179, 125 (+)Catechin
Dihydroxytetralone hexoside 12.82 339 177, 159 Juglone
Hydrojuglone β-D-glucopyranoside 16.58 337 175 131, 147, 157, 103 Juglone
Procyanidin dimer derivative 2 17.16 729 577 425, 407, 451, 289 Procyanidin B1
Ellagic acid derivative 17.47 467 391, 301 301 257, 229, 185 Ellagic acid
Hydrojuglone derivative 4 17.83 451 319, 325, 301, 193, 151 193, 301, 179, 125 165, 175, 121, 131 Juglone
319, 325, 301, 193, 151 192, 235
319, 325, 301, 193, 151 215, 257, 283, 175, 151 147, 131, 157, 129
319, 325, 301, 193, 151 215, 257, 283, 175, 151 187, 171, 143
Hydrojuglone derivative 2 18.02 465 301, 339, 319, 151, 193 215, 257, 283, 175, 151 187, 171, 143 Juglone
Hydrojuglone derivative pentoside 1 18.21 435 285, 301 241, 175, 199, 257, 151 Juglone
285, 301 229, 179, 151, 257, 137
Hydrojuglone derivative pentoside 3 18.55 435 285, 301 Juglone
Myricetin pentoside 19.20 449 317 179, 151 Myricetin-3-galactoside
Gallic acid derivative 2 19.32 491 271 211, 169, 125 168, 124 Gallic acid
Quercetin galloyl hexoside 19.74 615 463 301 179, 151 Quercetin-3-glucoside
Myricetin-3-rhamnoside 20.33 463 316 271, 287, 179, 164 243, 227, 215, 183 Myricetin-3-rhamnoside
Quercetin-3-galactoside 20.64 463 301 179, 151 Quercetin-3-galactoside
Quercetin-3-glucoside 20.84 463 301 179, 151 Quercetin-3-glucoside
Hydrojuglone derivative rhamnoside 21.22 449 303, 285 181, 153, 285 Juglone
303, 285 241, 175, 257, 199, 151
Hydrojuglone derivative pentoside 2 21.47 435 285 241, 175, 257 Juglone
Quercetin-3-arabinopyranoside 22.04 433 301 179, 151 Quercetin-3-arabinopyranoside
Gallic acid derivative 3 22.19 489 271, 313 211, 169, 125 168, 124 Gallic acid
271, 313 169, 125 125
Quercetin-3-arabinofuranoside 22.39 433 301 179, 151 Quercetin-3-arabinofuranoside
Quercetin-3-rhamnoside 22.67 447 301 179, 151, 273, 257, 229 Quercetin-3-rhamnoside
Kaempferol-7-hexoside 1 23.06 447 285 165, 119, 93 Kaempferol-3-glucoside
Kaempferol-7-hexoside 2 28.34 447 285 165, 119, 93 Kaempferol-3-glucoside
Hydrojuglone 28.56 175 131, 103, 157, 175 Juglone
Hydrojuglone rutinoside 29.64 483 175 131, 103, 157 Juglone
Juglone 30.14 189 161 117, 133 Juglone
Santin 31.98 343 328 313, 285 Apigenin-7-glucoside
5,7-Dihydroxy-3,4-dimetoxyflavone 32.34 313 298 283, 255 Apigenin-7-glucoside

Rt, retention time; [M − H]–, pseudo-molecular ion identified in negative ion mode; bold numbers, fragments further fragmented; first fragment number, fragments that were further fragmented if no bold numbers are given.