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. 2021 Dec 30;27(1):217. doi: 10.3390/molecules27010217

Table 1.

Compounds tentatively identified in Picea abies and Pinus nigra aqueous bark extracts.

No. TR
[min]
[M − H]
[m/z]
MF MS/MS Fragments
[m/z]
Proposed
Identity
Sample Ref.
1 1.9 191.0561 C7H12O6 173.0437; 127.0442 Quinic acid Picea abies
Pinus nigra
[24]
2 2.5 191.0204 C6H8O7 129.0237; 111.0126 Citric acid Picea abies
Pinus nigra
[24]
3 7.0 329.0830 C14H18O9 167.0425; 152.0186; 123.0506 Vanillic acid
hexoside
Pinus nigra [25]
4 8.1 345.1533 C16H26O8 183.0293; 139.0322 Methoxy-
dihydroxybenzoic acid hexoside
Picea abies [26]
5 8.5 299.0832 C13H16O8 137.0284 Hydroxybenzoic acid hexoside Pinus nigra
Picea abies
[24]
6 8.9 315.0995 C14H20O8 153.0553; 109.0301 Dimethoxyphenyl hexoside Picea abies
Pinus nigra
[27]
7 9.4 313.0919 C14H18O8 151.0433 Vanillin hexoside Pinus nigra [28]
8 9.8 137.0257 C7H6O3 109.0245 Hydroxybenzoic acid Picea abies
Pinus nigra
[24,25]
9 12.5 343.1385 C16H24O8 181.1133 Dihydro-
coniferylalcohol hexoside I
Pinus nigra [29,30]
10 14.0 337.0939 C16H18O8 191.0561; 163.0430; 119.0516 p-Coumaroylquinic acid Pinus nigra [31]
11 14.4 577.1331 C30H26O12 451.1057; 425.0931; 407.0825; 289.0747; 245.0451; 125.0268 Procyanidin
dimer
Picea abies
Pinus nigra
[32,33]
12 14.6 465.1025 C21H22O12 303.0651; 285.0537; 259.0775; 125.0363 Taxifolin
hexoside I
Pinus nigra [32,34]
13 14.8 355.1050 C16H20O9 193.0604; 178.0266; 149.0626 Ferulic acid
hexoside
Picea abies [35,36]
14 15.3 327.1058 C15H20O8 165.0553 Dihydroxy
propiophenone
hexoside
Picea abies [37]
15 15.8 289.0778 C15H14O6 271.0678; 245.0727; 205.0661; 151.0330 Catechin * Picea abies
Pinus nigra
[25,32]
16 16.3 343.1388 C16H24O8 181.1149 Dihydro
coniferylalcohol hexoside II
Pinus nigra [29,30]
17 17.3 865.1959 C45H38O18 577.1237; 407.0348; 289.0753 Procyanidin
trimer
Pinus nigra [24,32]
18 19.4 289.0765 C15H14O6 271.0666; 245.0733; 205.0654; 151.0311 Epicatechin * Pinus nigra [24,25]
19 20.5 405.1172 C20H22O9 243.0723; 201.0586; 159.0482 Piceatannol
hexoside I
Picea abies [38]
20 21.9 465.1025 C21H22O12 303.0638; 285.0539; 259.0749; 125.0313 Taxifolin
hexoside II
Picea abies
Pinus nigra
[32,34]
21 22.5 405.1169 C20H22O9 243.0733; 201.0533; 159.0466 Piceatannol
hexoside II
Picea abies [38]
22 23.2 389.1236 C20H22O8 227.0745; 185.0652; 143.0537 Resveratrol
hexoside
Picea abies [38]
23 23.5 303.0575 C15H12O7 285.0469; 259.0696; 125.0279 Taxifolin Picea abies
Pinus nigra
[32,34]
24 23.8 419.1329 C21H24O9 257.0856 Isorhapontigenin hexoside Picea abies [38]
25 25.1 243.0619 C14H12O4 215.0696; 201.0594; 109.0280 Piceatannol Picea abies [38]
26 26.1 447.1009 C21H20O11 301.0323; 255.0569 Quercetin
rhamnoside
Picea abies [25,33]
27 26.4 809.2260 C40H42O18 647.1892; 405.1233; 243.715 Piceaside A/B/G/H Picea abies [38]
28 26.9 837.2621 C42H46O18 675.2224; 513.1569; 243.0739 Piceaside O/P Picea abies [39]
29 28.9 823.2461 C41H44O18 661.2020; 499.1511; 403.0937; 241.0567 Piceaside E/F Picea abies [38]
30 29.8 647.1749 C34H32O13 585.2230; 485.1132; 451.1132 Piceaside J/K Picea abies [38]
31 30.2 257.0827 C15H14O4 241.0521; 224.0468 Isorhapontigenin Picea abies [38]
32 30.7 647.1778 C34H32O13 485.1267; 405.1142; 243.0645 Piceaside I/J/K Picea abies [38]

MF: molecular formula; TR: retention time; * confirmed with standard.