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. 2020 Mar 20;25(6):1422. doi: 10.3390/molecules25061422

Table 1.

Content compounds of Lycopus leaf infusions, their corresponding retention times (TR), molecular ions [M − H], and MS2 fragments in LC-MS/MS analysis, in addition to quantitative abundance of polar phenolic compounds (µg/mL) in four Lycopus infusions.

Compound TR (min) [[M − H] MS2
(20 eV) (m/z)
Mass Concentration (µg/mL)* ± SD
LeuA LeuB LeuC Lex
1 Citric acid 4.76 191.0191 111.0084
87.0087
85.037
ND LOD LOD LOD
2 Danshensu (trihydroxyphenyl propanoic acid) 11.64 197.0449 179.0343
135.0443
LOD LOD LOD LOD
3 Caffeic acid 21.59 179.0342 135.0445 15.7 ± 1.7 16.8 ± 0.2 16.9 ± 0.1 23.1 ± 0.1
4 Quercetin glucuronide 24.58 477.0656 301.0332 38.1 ± 1.4 21.5 ± 0.3 ND 84.3 ± 0.3
5 Quercetin glucoside 25.91 463.0857 301.0324 34.0 ± 7.7 LOD LOD LOD
6 Lithospermic acid 26.00 537.1034 359.0739
197.0456
179.0340
161.0235
135.0431
LOD LOD LOD 13.9 ± 0.1
7 Rosmarinic acid hexoside 28.42 521.1301 359.0767
179.0376
161.0223
LOD 17.4 ± 0.6 16.3 ± 0.5 LOD
8 Luteolin-7-O-glucuronide 28.57 461.0731 285.0393 315.1 ± 3.6 279.6 ± 1.4 275.1 ± 0.9 449.8 ± 0.4
9 Sagerinic acid 29.96 439.0318 359.0751
197.8040
161.0232
12.0 ± 2.4 15.4 ± 0.3 12.4 ± 0.2 11.1 ± 4.2
10 Sulphated rosmarinic acid 30.37 719.1620 539.1182
359.0774
161.0450
11.8 ± 0.6 18.7 ± 0.1 16.6 ± 0.4 13.0 ± 0.1
11 Apigenin-7-O-glucuronide 34.12 445.0753 269.0444 27.6 ± 0.1 23.0 ± 2.7 36.5 ± 1.2 27.2 ± 0.1
12 Rosmarinic acid 34.48 359.0751 197.0483
161.0234
213.7 ± 0.3 237.5 ± 0.8 202.3 ± 0.1 216.2 ± 0.1
13 Caffeic acid derivative 36.52 549.2332 359.0767
161.0295
19.6 ± 0.3 LOD 7.6 ± 0.2 168.0 ± 0.3

*Values (μg/mL infusion) are presented as means ± standard deviation (n = 3); external standards: luteolin-7-O-glucuronide (used for flavonoid determination), rosmarinic acid (used for phenolic acid determination). ND—not detected; LOD—limit of detection, TR – retention time, LeuA—L. europaeus A; LeuB—L. europaeus B; LeuC—L. europaeus C; Lex—L. exaltatus;