TABLE 1.
Summary of mulberroside A metabolites in vivo and in vitro of rats.
| Peak | t R/min | Ion mode | Formula [M-H]− | Theoretical Mass (m/z) | Experimental Mass (m/z) | RDB | Error (ppm) | MS/MS fragment ions | Identification/Reactions | PS | PM | PA | U | F | L | LM | Max. Peak area |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| M0 | 8.18 | N | C26H31O14 | 567.1708 | 567.1707 | 11.5 | −0.197 | 243.06(100.00), 567.17(27.20), 405.12(22.51), 225.05(10.57), 199.08(7.11), 175.07(5.26) | Mulberroside A | √ | √ | √ | √ | 1.53E+06 (PM) | |||
| M1* | 5.55 | N | C12H13O8 | 285.0605 | 285.0607 | 6.5 | 0.618 | 109.03(100.00), 113.02(61.96), 285.06(38.68), 175.02(18.76) | β-D-Glucopyranosiduronic Acid 3-Hydroxyphenyl | √ | √ | √ | √ | 2.53E+08 (U) | |||
| M2 | 7.72 | N | C26H31O15 | 583.1652 | 583.1658 | 11.5 | 0.143 | 259.06(100.00), 583.17(45.98), 421.11(32.65), 215.07(2.51) | hydroxylation | √ | 2.08E+06 (LM) | ||||||
| M3 | 7.98 | N | C26H29O15 | 581.1501 | 581.1499 | 12.5 | -0.338 | 581.15(100.00), 243.06(52.49), 225.05(6.60) | hydrolysis | √ | √ | 2.25E+06 (PS) | |||||
| glucuronidation | |||||||||||||||||
| M4 | 8.18 | N | C26H33O18S | 665.1382 | 665.1384 | 10.5 | 0.239 | 96.96(100.00), 243.07(5.60), 567.17(4.23), 665.15(3.58), 405.12(0.52) | hydrogenation | √ | 3.58E+07 (U) | ||||||
| hydroxylation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M5 | 8.19 | N | C27H33O16 | 613.1763 | 613.1750 | 11.5 | -2.155 | 243.07(100.00), 567.17(43.17), 225.05(7.89), 405.12(6.46), 435.56(0.28), 448.96(0.28) | dihydroxylation | √ | √ | √ | 5.81E+05 (PS) | ||||
| methylation | |||||||||||||||||
| M6 | 8.20 | N | C26H31O15 | 583.1652 | 583.1658 | 11.5 | -1.314 | 259.06(100.00), 421.11(55.47), 583.17(39.04), 241.05(18.86) | hydroxylation | √ | 8.12E+06 (LM) | ||||||
| M7 | 8.20 | N | C26H31O16 | 599.1607 | 599.1602 | 11.5 | -0.736 | 137.02(100.00), 599.16(57.05), 125.02(50.33), 437.11(45.05), 275.06(25.62) | dihydroxylation | √ | 3.98E+06 (LM) | ||||||
| M8 | 8.20 | N | C20H21O11 | 437.1078 | 437.1079 | 10.5 | 0.042 | 137.02(100.00), 437.11(72.57), 257.04(56.49), 275.05(30.75) | hydrolysis | √ | 3.16E+06 (LM) | ||||||
| dihydroxylation | |||||||||||||||||
| M9 | 8.24 | N | C26H33O16 | 601.1763 | 601.1769 | 10.5 | 1.046 | 137.02(100.00), 243.07(42.31), 601.18(33.69), 567.17(20.17), 439.12(13.78) | hydrogenation | √ | 2.73E+06 (LM) | ||||||
| dihydroxylation | |||||||||||||||||
| M10 | 8.29 | N | C21H21O10 | 433.1129 | 433.1125 | 11.5 | -1.000 | 313.07(100.00), 433.11(84.30), 343.08(36.15), 257.08(17.32), 243.07(10.86) | hydrolysis | √ | 1.39E+07 (F) | ||||||
| methylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M11 | 8.43 | N | C26H29O16 | 597.1450 | 597.1450 | 12.5 | 0.015 | 597.14(100.00), 421.11(99.27), 245.08(21.33), 175.02(22.04), 135.04(9.32), 243.06(7.70), 157.01(3.09) | hydrolysis | √ | 5.97E+07 (U) | ||||||
| hydrogenation | |||||||||||||||||
| bis-glucuronidation | |||||||||||||||||
| M12 | 8.52 | N | C20H17O10 | 417.0816 | 417.0803 | 12.5 | −3.268 | 417.17(100.00), 197.13(7.56), 241.12(7.42) | hydrolysis | √ | 3.16E+04 (F) | ||||||
| dehydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M13 | 8.57 | N | C26H31O15 | 583.1658 | 583.1650 | 11.5 | −1.212 | 583.17(100.00), 245.01(27.22), 421.11(1.19) | hydrolysis | √ | 8.16E+06 (U) | ||||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M14 | 8.62 | N | C32H39O21 | 759.1978 | 759.1960 | 13.5 | −2.364 | 421.11(100.00), 245.08(9.61), 175.02(7.66), 135.04(3.69), 109.03(3.24), 583.47(0.27) | hydrolysis | √ | 8.17E+06 (U) | ||||||
| hydrogenation | |||||||||||||||||
| bis-glucuronidation | |||||||||||||||||
| M15 | 8.76 | N | C26H27O16 | 595.1294 | 595.1291 | 13.5 | −0.455 | 419.10(100.00), 595.13(76.29), 243.07(75.87), 175.02(18.03) | hydrolysis | √ | √ | √ | 1.02E+08 (U) | ||||
| bis-glucuronidation | |||||||||||||||||
| M16 | 8.77 | N | C26H29O15 | 581.1501 | 581.1495 | 12.5 | −0.958 | 581.15(100.00), 243.07(73.83), 405.12(3.42), 225.05(4.57) | Hydrolysis | √ | 2.86E+06 (PS) | ||||||
| Glucuronidation | |||||||||||||||||
| M17 | 8.80 | N | C20H19O13S | 499.0541 | 499.0544 | 11.5 | 0.706 | 499.05(100.00), 243.07(85.68), 323.02(55.07), 225.05(11.54), 419.09(10.13) | Hydrolysis | √ | √ | 1.29E+06 (PM) | |||||
| Glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M18 | 8.83 | N | C20H21O13S | 501.0697 | 501.0696 | 10.5 | −0.315 | 501.07(68.38), 421.11(28.50), 325.04(100.00), 245.08(27.22) | hydrolysis | √ | 4.92E+06 (U) | ||||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M19 | 8.84 | N | C26H29O16 | 597.1450 | 597.1448 | 12.5 | −0.286 | 597.14(93.54), 421.11(77.15), 245.08(20.01), 175.02(20.91), 135.04(9.39), 243.07(7.15), 157.01(2.96) | hydrolysis | √ | 1.26E+08 (U) | ||||||
| hydrogenation | |||||||||||||||||
| bis-glucuronidation | |||||||||||||||||
| M20 | 8.94 | N | C26H29O16 | 597.1450 | 597.1450 | 12.5 | 0.015 | 597.14(100.00), 421.11(58.07), 245.08(14.71), 175.02(13.24), 135.04(6.56), 157.01(2.30), 243.07(2.11) | hydrolysis | √ | 9.58E+07 (U) | ||||||
| hydrogenation | |||||||||||||||||
| bis-glucuronidation | |||||||||||||||||
| M21 | 8.96 | N | C14H15O8 | 311.0761 | 311.0767 | 7.5 | 1.659 | 113.02(100.00), 175.02(22.38), 135.04(8.38), 311.08(8.25) | isomer of 6-(4-Ethenyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid | √ | 1.10E+07 (U) | ||||||
| M22 | 9.19 | N | C20H21O10 | 421.1129 | 421.1131 | 10.5 | 0.491 | 421.11(100.00), 175.02(19.29), 245.08(8.78), 135.04(8.06) | hydrolysis | √ | √ | 2.52E+09 (U) | |||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M23 | 9.25 | N | C26H27O16 | 595.1294 | 595.1292 | 13.5 | −0.355 | 419.10(100.00), 243.06(44.01), 595.13(36.57), 225.05(8.28), 175.02(7.61) | hydrolysis | √ | 3.85E+06 (PA) | ||||||
| bis-glucuronidation | |||||||||||||||||
| M24 | 9.28 | N | C20H19O13S | 499.0541 | 499.0541 | 11.5 | −0.075 | 243.07(100.00), 323.02(87.60), 499.05(81.02), 419.10(17.67), 225.05(10.32) | hydrolysis | √ | √ | √ | 2.94E+05 (PM) | ||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M25 | 9.29 | N | C26H29O15 | 581.1501 | 581.1500 | 12.5 | −0.132 | 581.15(100.00), 243.07(75.56), 405.12(3.07), 225.05(7.90) | hydrolysis | √ | √ | √ | 7.62E+06 (PS) | ||||
| glucuronidation | |||||||||||||||||
| M26 | 9.31 | N | C26H27O16 | 595.1294 | 595.1295 | 13.5 | 0.166 | 419.10(100.00), 243.07(53.02), 595.13(36.30), 175.02(9.17), 225.05(6.28) | hydrolysis | √ | √ | √ | √ | 3.97E+08 (U) | |||
| bis-glucuronidation | |||||||||||||||||
| M27 | 9.35 | N | C26H31O14 | 567.1708 | 567.1707 | 11.5 | −0.321 | 243.07(100.00), 405.12(47.37), 225.05(10.26), 199.07(5.95), 175.07(4.86), 567.17(3.04) | isomer of Mulberroside A | √ | √ | 2.20E+06 (PS) | |||||
| M28 | 9.35 | N | C26H33O18S | 665.1382 | 665.1390 | 10.5 | 1.156 | 96.96(100.00), 243.07(8.96), 405.12(5.44), 665.15(4.77), 567.17(1.44) | hydroxylation | √ | 3.60E+06 (L) | ||||||
| hydrogenation | |||||||||||||||||
| Sulfation | |||||||||||||||||
| M29 | 9.35 | N | C27H33O16 | 613.1763 | 613.1757 | 11.5 | −0.964 | 243.07(100.00), 405.12(44.79), 567.17(14.36), 225.05(6.33), 199.08(4.35) | dihydroxylation | √ | √ | √ | 1.64E+06 (PS) | ||||
| methylation | |||||||||||||||||
| M30 | 9.37 | N | C20H21O13S | 501.0697 | 501.0700 | 10.5 | 0.603 | 501.07(61.80), 421.11(22.27), 325.04(100.00), 245.08(24.44) | hydrolysis | √ | 7.60E+07 (U) | ||||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| Sulfation | |||||||||||||||||
| M31 | 9.46 | N | C20H21O12S | 485.0748 | 485.0748 | 10.5 | -0.048 | 485.07(87.69), 405.12(2.81), 323.02(7.96), 243.07(100.00), 225.05(11.22), 175.07(6.22), 199.07(5.45), 181.06(4.47) | hydrolysis | √ | √ | 1.29E+06 (U) | |||||
| Sulfation | |||||||||||||||||
| M32 | 9.54 | N | C20H21O13S | 501.0697 | 501.0700 | 10.5 | 0.424 | 501.07(58.15), 421.11(23.10), 325.04(100.00), 245.08(25.85) | hydrolysis | √ | 6.59E+07 (U) | ||||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M33 | 9.61 | N | C20H19O13S | 499.0541 | 499.0545 | 11.5 | 0.826 | 243.06(100.00), 323.02(84.23), 499.05(71.06), 419.10(30.24), 225.05(5.80) | hydrolysis | √ | √ | 2.70E+05 (PM) | |||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M34 | 9.68 | N | C20H19O10 | 419.0973 | 419.0973 | 11.5 | -0.031 | 419.10(100.00), 243.06(51.26), 175.02(17.18), 225.05(11.88), 199.07(9.79) | hydrolysis | √ | √ | 5.51E+07 (PS) | |||||
| glucuronidation | |||||||||||||||||
| M35 | 9.72 | N | C20H21O13S | 501.0697 | 501.0698 | 10.5 | 0.044 | 501.07(62.29), 421.11(33.75), 325.04(100.00), 245.08(26.83) | hydrolysis | √ | 2.74E+07 (U) | ||||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M36 | 9.80 | N | C20H19O13S | 499.0541 | 499.0544 | 11.5 | 0.526 | 243.07(100.00), 323.02(86.92), 499.05(39.50), 419.10(18.18), 225.05(2.46) | hydrolysis | √ | √ | 1.01E+06 (PM) | |||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M37 | 9.82 | N | C20H21O10 | 421.1129 | 421.1129 | 10.5 | -0.008 | 421.11(100.00), 175.02(20.18), 245.08(8.93), 243.07(2.49) | hydrolysis | √ | √ | 7.85E+09 (U) | |||||
| hydrogenation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M38 | 9.83 | N | C20H19O9 | 403.1024 | 403.1034 | 11.5 | 2.633 | 403.20(100.00), 245.08(8.58), 135.04(7.70), 175.02(3.61) | hydrolysis | √ | 5.32E+06 (U) | ||||||
| dehydroxylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M39 | 9.83 | N | C20H19O11 | 435.0922 | 435.0913 | 11.5 | -2.017 | 193.03(100.00), 175.02(5.76), 259.06(4.62), 157.01(3.55), 435.09(2.37) | Hydrolysis | √ | √ | √ | 2.14E+07 (U) | ||||
| hydroxylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M40 | 9.83 | N | C20H21O11 | 437.1078 | 437.1073 | 10.5 | -1.230 | 437.11(100.00), 261.08(36.71), 175.02(20.83), 243.07(6.55) | Hydrolysis | √ | 1.93E+07 (U) | ||||||
| Hydration | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M41 | 10.00 | N | C21H23O10 | 435.1286 | 435.1271 | 10.5 | -3.363 | 193.03(100.00), 435.14(15.35), 175.02(3.27), 157.01(3.16), 403.18(1.07), 241.10(0.55), 417.18(0.40) | Hydrolysis | √ | 1.20E+05 (F) | ||||||
| hydroxylation | |||||||||||||||||
| Methylation | |||||||||||||||||
| M42* | 10.03 | N | C14H13O7S | 325.0377 | 325.0376 | 8.5 | -0.153 | 325.04(100.00), 245.08(17.31), 135.04(11.00), 243.06(6.19) | hydrolysis | √ | √ | √ | 3.70E+07 (U) | ||||
| hydrogenation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M43 | 10.07 | N | C20H19O10 | 419.0973 | 419.0973 | 11.5 | 0.112 | 419.10(100.00), 243.06(54.06), 175.02(28.47), 199.07(13.35), 225.05(11.16) | hydrolysis | √ | √ | 8.03E+06 (PS) | |||||
| glucuronidation | |||||||||||||||||
| M44 | 10.21 | N | C20H19O10 | 419.0973 | 419.0973 | 11.5 | 0.040 | 419.10(100.00), 243.06(78.98), 175.02(34.79), 225.05(16.89), 199.07(11.06) | hydrolysis | √ | √ | 1.34E+07 (PS) | |||||
| glucuronidation | |||||||||||||||||
| M45* | 10.23 | N | C14H13O7S | 325.0377 | 325.0378 | 8.5 | 0.400 | 325.04(100.00), 245.08(19.99), 135.04(12.68), 243.06(5.92) | hydrolysis | √ | √ | 8.45E+07 (U) | |||||
| hydrogenation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M46 | 10.28 | N | C20H19O13S | 499.0541 | 499.0540 | 11.5 | -0.256 | 243.07(100.00), 323.02(71.89), 419.10(60.92), 499.05(48.22), 225.05(9.32) | hydrolysis | √ | 6.55E+06 (U) | ||||||
| glucuronidation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M47 | 10.44 | N | C20H19O9 | 403.1024 | 403.1023 | 11.5 | -0.245 | 403.20(100.00), 227.07(29.95), 175.02(8.58), 113.02(45.99) | hydrolysis | √ | √ | √ | √ | 2.98E+06 (U) | |||
| dehydroxylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M48* | 10.48 | N | C14H11O7S | 323.0220 | 323.0221 | 9.5 | 0.279 | 243.06(100.00), 323.02(89.74), 225.05(17.97), 199.07(17.37), 175.07(16.90) | hydrolysis | √ | √ | √ | 1.44E+07 (PS) | ||||
| sulfation | |||||||||||||||||
| M49* | 10.57 | N | C14H9O4 | 241.0495 | 241.0490 | 10.5 | -2.096 | 241.14(100.00), 223.13(31.09), 179.11(19.87), 197.12(11.82) | Hydrolysis | √ | √ | 6.06E+03 (PS) | |||||
| Dehydrogenation | |||||||||||||||||
| M50* | 10.64 | N | C14H13O4 | 245.0808 | 245.0813 | 8.5 | 1.773 | 203.08(90.41), 123.04(81.08), 245.09(68.29), 227.13(6.47), 159.09(5.34) | Hydrolysis | √ | 1.05E+06 (PS) | ||||||
| Hydrogenation | |||||||||||||||||
| M51 | 10.79 | N | C21H21O10 | 433.1129 | 433.1129 | 11.5 | -0.169 | 243.06(100.00), 225.05(17.49), 257.08(16.68), 373.09(15.74), 433.11(13.36), 403.10(1.65) | Hydrolysis | √ | 2.82E+06 (PS) | ||||||
| Methylation | |||||||||||||||||
| Glucuronidation | |||||||||||||||||
| M52 | 10.84 | N | C20H21O9 | 405.1180 | 405.1180 | 10.5 | -0.145 | 405.12(46.47), 229.09(32.19), 175.02(32.02),157.01(4.20), 225.15(1.84) | Oxyresveratrol-4-O-β-D-glucopyranoside | √ | √ | √ | √ | √ | √ | 1.98E+08 (U) | |
| M53 | 10.90 | N | C27H31O14 | 579.1708 | 579.1706 | 12.5 | -0.418 | 271.06(100.00), 579.17(35.34), 227.07(2.63), 175.00(2.47) | dehydrogenation | √ | 7.60E+05 (PS) | ||||||
| methylation | |||||||||||||||||
| M54 | 10.92 | N | C28H33O16 | 625.1763 | 625.1758 | 12.5 | -0.850 | 271.06(100.00), 579.17(49.37), 300.03(7.16), 315.05(3.06), 330.07(2.99) | hydroxylation | √ | 3.41E+07 (L) | ||||||
| acetylation | |||||||||||||||||
| M55 | 10.96 | N | C21H21O10 | 433.1129 | 433.1127 | 11.5 | -0.585 | 243.06(94.52), 433.11(80.16), 257.08(60.10), 175.02(27.25), 373.09(8.98) | hydrolysis | √ | √ | 7.89E+05 (PS) | |||||
| methylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M56 | 11.14 | N | C14H9O7S | 321.0064 | 321.0066 | 10.5 | 0.655 | 241.05(24.05), 321.01(14.51), 124.01(13.46), 243.06(5.76) | hydrolysis | √ | √ | 1.52E+06 (U) | |||||
| dehydrogenation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M57 | 11.25 | N | C28H33O15 | 609.1814 | 609.1805 | 12.5 | -1.505 | 301.07(100.00), 609.18(18.73), 286.05(10.54), 242.06(6.48), 463.12(0.26) | acetylation | √ | 2.38E+08 (LM) | ||||||
| M58 | 11.35 | N | C20H19O9 | 403.1024 | 403.1018 | 11.5 | -1.286 | 113.02(100.00), 403.10(37.33), 227.07(52.42), 175.02(47.17) | hydrolysis | √ | √ | √ | 2.25E+06 (PS) | ||||
| dehydroxylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M59 | 11.38 | N | C20H21O9 | 405.1180 | 405.1177 | 10.5 | -0.811 | 405.12(100.00), 113.02(53.69), 229.09(45.46), 175.02(16.66) | Oxyresveratrol-3′-O-β-D-glucopyranoside | √ | √ | √ | √ | 8.43E+07 (U) | |||
| M60 | 11.39 | N | C28H35O14 | 595.2021 | 595.2017 | 11.5 | -0.692 | 297.10(100.00), 175.02(8.91), 157.01(1.65), 419.09(0.51), 449.32(0.38) | dimethylation | √ | √ | 1.59E+08 (U) | |||||
| M61* | 11.43 | N | C16H15O4 | 271.0965 | 271.0964 | 9.5 | -0.278 | 271.15(100.00), 225.11(14.23), 197.12(7.25), 167.11(32.05), 137.10(10.95) | hydrolysis | √ | 7.56E+05 (F) | ||||||
| dimethylation | |||||||||||||||||
| M62 | 11.54 | N | C20H23O10 | 423.1286 | 423.1283 | 9.5 | -0.717 | 423.27(100.00), 175.02(29.80), 201.02(28.97), 247.10(16.94), 263.17(3.76) | hydrolysis | √ | 2.00E+06 (PS) | ||||||
| hydrogenation | |||||||||||||||||
| hydroxylation | |||||||||||||||||
| M63 | 11.85 | N | C20H23O9 | 407.1337 | 407.1353 | 9.5 | 4.056 | 407.17(91.79), 201.11(7.99), 137.10(2.85), 227.13(1.82), 245.19(0.70) | hydrolysis | √ | √ | 1.34E+06 (L) | |||||
| hydrogenation | |||||||||||||||||
| M64 | 12.06 | N | C20H23O10 | 423.1286 | 423.1285 | 9.5 | -0.291 | 423.27(100.00), 421.26(45.89), 175.02(9.52), 405.26(6.22) | Hydrolysis | √ | √ | 1.82E+06 (PS) | |||||
| hydrogenation | |||||||||||||||||
| hydroxylation | |||||||||||||||||
| M65 | 12.28 | N | C21H21O10 | 433.1129 | 433.1126 | 11.5 | -0.862 | 257.08(100.00), 433.11(86.14), 175.02(28.10), 242.06(1.94) | Hydrolysis | √ | √ | √ | √ | √ | √ | 2.62E+07 (PS) | |
| methylation | |||||||||||||||||
| glucuronidation | |||||||||||||||||
| M66 | 13.01 | N | C20H23O10 | 423.1286 | 423.1286 | 9.5 | -0.008 | 423.27(100.00), 421.26(18.72), 175.02(2.65), 405.26(0.98) | Hydrolysis | √ | √ | 3.23E+06 (PS) | |||||
| hydrogenation | |||||||||||||||||
| hydroxylation | |||||||||||||||||
| M67 | 13.13 | N | C26H33O14 | 569.1865 | 569.1871 | 10.5 | 1.138 | 569.33(100.00), 407.28(17.04), 389.27(4.56), 551.32(1.21) | hydrogenation | √ | 7.90E+04 (F) | ||||||
| M68 | 13.19 | N | C20H23O10 | 423.1286 | 423.1282 | 9.5 | -0.953 | 423.14(100.00), 421.26(85.61), 247.13(14.76), 175.02(8.46), 245.12(2.36) | hydrolysis hydrogenation hydroxylation |
√ | 3.74E+04 (U) | ||||||
| M69 | 13.63 | N | C14H11O8S | 339.0169 | 339.0176 | 9.5 | 1.963 | 339.18(100.00), 259.11(11.96) | hydrolysis | √ | 2.64E+04 (U) | ||||||
| hydroxylation | |||||||||||||||||
| sulfation | |||||||||||||||||
| M70* | 14.30 | N | C14H11O4 | 243.0652 | 243.0651 | 9.5 | -0.392 | 243.17(100.00), 199.18(31.85), 225.05(2.25), 201.05(1.38) | Oxyresveratrol | √ | √ | √ | √ | 1.80E+06 (PS) | |||
| M71 | 14.70 | N | C20H23O10 | 423.1286 | 423.1282 | 9.5 | -0.882 | 423.27(100.00), 407.28(10.68), 421.26(5.80), 405.26(4.50) | hydrolysis | √ | 5.85E+04 (U) | ||||||
| hydrogenation | |||||||||||||||||
| hydroxylation | |||||||||||||||||
PS, plasma treated by SPE; PM, plasma treated by methanol; PA, plasma treated by acetonitrile; U, urine; F, feces; L, liver tissue; LM, liver microsome; √, detected; *, components in Table 2.