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. 2019 Mar 29;10:255. doi: 10.3389/fphar.2019.00255

Table 2.

Characterization of chemical constituents in JMT by UPLC-QTOF-MS analysis.

Peak No. tR (min) Measured [M–H]− (m/z) Predicted [M–H]− (m/z) Δ (ppm) Formula (–)MSE (m/z) Identification Derived from
1 1.72 169.0130 169.0137 −4.14 C7H5O5 125.0235, 83.0116 Gallic acid D
2 2.36 515.1127 515.1190 −12.23 C25H24O12 353.1021, 191.0067 Isochlorogenic acid C C
3 2.79 167.0334 167.0342 −4.79 C8H8O4 135.0817 Vanillic acid D
4 3.98 153.0180 153.0188 −5.23 C7H6O4 109.029 Protocaechuic acid E
5 3.73 353.0997 353.1025 −7.93 C20H18O6 339.0869, 310.0527 Asarinin J
6 3.85 633.3972 633.4003 −4.89 C36H58O9 471.3481, 453.3340 Ecliptasaponin A or D C
7 4.23 633.3977 633.4003 −4.10 C36H58O9 471.3482, 453.3339 Ecliptasaponin A or D C
8 4.50 289.0735 289.0712 7.96 C15H14O6 245.0803, 205.0510, 179.0345 Epicatichin E
9 4.53 919.2710 919.2719 −0.98 C39H52O25 271.0615, 256.0369 Cassiaside B2 I
10 4.98 685.2333 685.2344 −1.61 C31H42O17 523.1820, 453.3307 Specnuezhenide B
11 5.10 313.0352 313.0348 1.28 C16H10O7 313.0350, 298.1503 Wedelolactone C
12 5.29 609.1882 609.1819 10.34 C28H34O15 447.1285, 285.0753 Hesperidin E
13 5.47 901.2633 901.2614 2.11 C39H50O24 253.0511 Emodin-1-O-β-D-tetrapyranoglucoside I
14 5.58 283.0221 283.0243 −7.77 C15H8O6 255.0287, 239.0338, 211.0173 Rhein I
15 5.77 353.0856 353.0873 −4.81 C16H18O9 191.0565, 112.9657 Chlorogenic acid A,C
16 5.80 957.5075 957.5059 1.67 C48H78O19 795.4522, 455.3437 Ecliptasaponin B or III C
17 6.00 563.1412 563.1401 1.95 C26H28O14 473.1082, 443.0975, 383.0764 Schaftoside E
18 6.16 340.1535 340.1549 −4.12 C20H23NO4 178.0552, 163.0738 Tetrahydrojatrorrhizine G
19 6.62 595.1617 595.1663 −7.73 C27H32O15 271.0625, 255.0403 Rubrofusarin-6-o-β-gentiobioside I
20 7.09 463.0883 463.0877 1.30 C21H20O12 463.0882, 301.0350 Hyperoside A
21 7.15 419.1029 419.0978 12.17 C20H20O10 257.0465 Cassiaside I
22 7.28 463.0888 463.0877 2.38 C21H20O12 463.0885, 301.0347 Isoquercitrin A,C,D
23 7.51 253.0515 253.0501 5.53 C15H10O4 225.0110, 149.0025 Chrysophanol C
24 7.65 491.1178 491.1190 −2.44 C23H24O12 329.0618, 298.0155 Hesperidin-6-o-β-D-glucoside I
25 7.73 447.0923 447.0927 −0.89 C21H20O11 285.0411, 175.0387, 133.0280 Luteoline 7Oglucoside A,D
26 7.83 465.1020 465.1033 −2.80 C21H22O12 303.0502, 285.0471 Dihydroquercetin B
27 8.05 795.4479 795.4531 −6.54 C42H68O14 841.4561, 633.3463, 453.3351 Ecliptasaponin I,C,IV or XV C
28 8.23 447.0932 447.0927 1.12 C21H20O11 285.0395, 175.0386, 151.0023 Luteoloside I
29 8.23 445.0787 445.0771 3.59 C21H18O11 269.0461, 151.0023, 117.0315 Apigenin-7-O-glucronide J
30 8.52 447.0934 447.0927 1.57 C21H20O11 285.0404, 175.0388, 133.0281 Astragalin A
31 9.06 565.1522 565.1558 −6.37 C39H52O25 271.0609, 256.0385 Cassiaside B I
32 9.25 685.2346 685.2344 0.29 C31H42O17 523.1809, 453.3298 Nuezhenoside B
33 9.50 785.2531 785.2504 3.44 C35H46O20 623.1957, 477.1320, 299.0743 Echinacoside B
34 9.64 843.4295 843.4378 −9.84 C42H68O17 841.4507, 633.3500, 471.3392 Ecliptasaponin VI C
35 9.98 623.1966 623.1976 −1.60 C29H36O15 461.1445, 153.0761 Acteoside B
36 10.12 359.0758 359.0767 −2.51 C18H16O8 322.1003 Rosmarinicacid D
37 10.25 269.0463 269.0450 4.83 C15H10O5 241.0471, 213.0545, 185.086 Emodin G
38 10.60 299.1139 299.1131 2.67 C14H20O7 137.0587, 119.0495 Salidroside B
39 10.96 1071.3639 1071.3557 7.65 C48H64O27 1117.2851, 909.2393, 685.5023 Oleonuezhenide B
40 11.00 453.3335 453.3369 −7.50 C30H46O3 437.3401, 411.3272 3-hydroxy oleanolic acid C
41 11.16 301.0339 301.0348 −2.99 C15H10O7 181.0131, 165.9892, 119.0493 Quercetin A,C,D
42 11.50 505.1331 505.1346 −2.97 C24H26O12 343.0829, 313.0352 Cassiin I
43 11.63 449.1073 449.1084 −2.45 C21H22O11 287.0547, 151.0025, Eriodictyol-7-o-glucoside J
44 11.67 451.1072 451.1088 −3.55 C17H24O14 407.2264, 375.0891 Privet acid B
45 11.86 1071.3564 1071.3557 0.65 C48H64O27 909.3015, 685.1958, 299.0939 Nuezhenide G13 B
46 12.00 368.1875 368.1862 3.53 C22H27NO4 336.1043, 320.1274, 294.0861 Corydaline G
47 12.52 279.2330 279.2324 2.15 C18H32O2 279.2329 Linoleic acid H
48 13.04 283.0623 283.0607 5.65 C16H12O5 268.0368, 240.0397 Obtusifolin I
49 13.38 285.0370 285.0399 −10.17 C15H10O6 175.0392, 151.0018, 133.0279 Kaempferol A
50 13.80 431.0983 431.1009 −6.03 C21H19O10 269.0451 Emodin-6-o-β-D-glucoside I
51 14.00 343.0835 343.0818 4.96 C18H16O7 313.0328, 285.0362, 270.0164 Obtusin I
52 14.55 357.1014 357.0975 10.92 C19H18O7 313.0279, 269.0085, 241.0153 Methyl obtusin I
53 15.25 329.0652 329.0661 −2.74 C17H14O7 298.0123, 270.0167 Aurantio-obtusin I
54 15.46 461.0711 461.0720 −1.95 C21H18O12 285.0410, 267.0309, 175.0237, Scutellarin J
55 15.59 519.1512 519.1503 1.73 C25H28O12 227.1255, 209.0870 6′-O-cinnamoyl-8-epikingisidic acid B
56 15.83 149.0595 149.0597 −1.34 C9H8O2 149.0597, 131.0492 Cinnamic acid F
57 16.12 461.0741 461.0720 4.55 C21H18O12 279.0408, 285.0025 Kaempferol-3-O-glucuronide A
58 16.85 431.0962 431.0978 −3.71 C21H20O10 325.1591, 285.0389 Kaempferol 7-O-α-L-rhamnopyranoside A
59 17.27 285.0382 285.0399 −5.96 C15H10O6 175.0391, 151.0022, 133.0279 Luteolin A,C
60 17.50 269.0459 269.0450 3.35 C15H10O5 151.0020, 149.0228, 117.0321 Apigenin A
61 18.12 539.1752 539.1765 −2.41 C25H32O13 377.1230, 275.0855 Oleuropein B
62 19.18 287.0551 287.0556 −1.74 C15H12O6 151.0025, 135.0438 Eriodictyol J
63 19.25 255.2331 255.2324 2.74 C16H32O2 255.2331 Hexadecanoic acid H
64 19.57 455.3552 455.3525 5.93 C30H48O3 455.3551, 201.0361 Oleanolic acid or ursolic acid B, D
65 19.70 131.0492 131.0497 −3.82 C9H8O 131.0492 Cinnamaldehyde F
66 19.82 161.0594 161.0603 −5.59 C10H10O2 131.0493 2methoxycinnamaldehyde F
67 20.50 413.3765 413.3783 −4.35 C29H50O 413.3768 β-sitosterol H
68 20.91 471.3503 471.3474 6.15 C30H48O4 453.3360, 425.3397 Echinocystic acid C
69 21.20 271.0620 271.0606 5.16 C15H12O5 151.0021, 119.0489 Naringenin E
70 21.25 502.1558 502.1566 −1.59 C20H27NO11 295.1047, 133.0652 Amygdalin H
71 21.73 411.3650 411.3627 5.59 C29H48O 411.3651, 397.3452 Stigmasterol E
72 22.71 181.0495 181.0501 −3.31 C9H9O4 151.6605, 136.9081 Syringaldehyde F

A, seeds of Cuscuta chinensis Lam.; B, seeds of Ligustrum lucidum Ait.; C, whole herb of Eclipta prostrata L.; D, whole herb of Prunella vulgaris L.; E, seeds of Litchi chinensis Sonn.; F, tender stem of Cinnamomum cassia Presl.; G, rhizoma of Corydalis yanhusuo W.; H, seeds of Prunus persica L; I, seeds of Cassia obtusifolia L. or Cassia tora L.; J, radix and rhizoma of Asarum heterotropiodes F.