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. 2022 Sep 2;13:939169. doi: 10.3389/fphar.2022.939169

TABLE 2.

Analysis of the main chemical constituents of KPLD by UHPLC-MS/MS in positive and negative ion modes.

Identification Formula Calculated value Observed value m/z Error (ppm) RT (min) Peak area Ion
Naringin C27H32O14 580.17921 579.1662 −9.9 22.81 10,510,839 −H
Nobiletin C21H22O8 402.13147 403.1395 1.9 35.94 6,617,944 +H
Naringenin C15H12O5 272.06847 273.0767 3.5 22.8 4,006,854 +H
Ordolating-7-o-β-D-glucoside C22H24O9 432.14203 433.1497 1 37.37 3,792,067 +H
Calycosin C16H12O5 284.06847 285.0768 3.6 20.06 2,337,116 +H
Schisandra B (γ-Schisandrin) C23H28O6 400.18859 401.1963 1.2 42.18 2,013,509 +H
Anacardin C27H30O14 578.16356 579.171 0.3 22.89 2,006,726 +H
Schisandrin A C24H32O6 416.21989 417.2278 1.5 50.19 2,000,546 +H
Formononetin C16H12O4 268.07356 269.0818 3.7 32.74 1,779,579 +H
Hesperidin C28H34O15 610.18977 611.1968 −0.4 23.92 1,656,361 +H
Luteolin-7-O-β-D-Neohesperidin C27H30O15 594.15847 595.1661 0.7 16.93 1,645,112 +H
5-Hydroxylimidin C20H20O8 388.11582 389.1239 2.1 40.45 1,547,274 +H
Dendrobium C15H16O4 260.10486 261.1133 4.4 25.05 1,481,892 +H
Crotonyl Gomisin P C28H34O9 514.22028 515.2282 1.3 37 1,192,735 +H
Isoliquiritin C21H22O9 418.12638 419.1344 1.8 22.81 1,171,424 +H
Adenosine C10H13N5O4 267.09675 268.1052 4.3 7.48 1,114,902 +H
5-Ortho-Demethyl Tetraritin C20H20O8 388.11582 389.1237 1.7 32.4 1,031,560 +H
Neohesperidin C28H34O15 610.18977 611.1963 −1.3 23.3 957,588 +H
Benzoyl gomisin H C30H34O8 522.22537 523.2303 −4.5 42.18 903,290 +H
Aromaticin B C17H20O6 320.12599 321.1336 1.1 1.2 852,493 +H
Adenine C5H5N5 135.0545 136.0624 4.7 7.49 729,293 +H
Gomisin E C28H34O9 514.22028 515.2279 0.6 35.34 661,844 +H
(−)-Gomisin K1 C23H30O6 402.20424 403.2123 2.1 44.64 536,213 +H
Gomisin J C22H28O6 388.18859 389.1966 2 38.85 510,470 +H
Gomisin G C30H32O9 536.20463 537.2097 −4.1 45.67 459,576 +H
Bergamot lactone C12H8O4 216.04226 217.0503 3.6 32.19 435,691 +H
Gomisin F C28H34O9 514.22028 515.2279 0.7 40.91 369,492 +H
Schisandrin A C24H32O7 432.2148 433.2222 0.4 36.93 337,193 +H
Quercetin C15H10O7 302.04265 303.0511 3.9 20.74 304,959 +H
Kaempferol C15H10O6 286.04774 287.056 3.6 21.26 294,732 +H
E-Ligustilide C12H14O2 190.09938 191.1073 3.5 41.25 131348 +H
Z-Ligustilide C12H14O2 190.09938 191.1074 3.7 50.88 108,024 +H
Vanilla acetone C9H10O3 166.06299 167.071 4.6 34.07 105,218 +H
Pinoresinol C20H22O6 358.14164 357.1365 6.1 31.79 95,474 -H
Astragalus saponin I C45H72O16 868.48204 869.4894 0.1 38.76 83,748 +H
Dendrobin C C16H18O5 290.11542 289.1061 −7.1 7.2 70,580 −H