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Table 2 Identification information of constituents in vitro of FZLZP by HPLC-ESI/QTOF/MS

From: Rapid discovery of chemical constituents and absorbed components in rat serum after oral administration of Fuzi-Lizhong pill based on high-throughput HPLC-Q-TOF/MS analysis

Peak no. Rt (min) Systematic name Molecular formula Molecular weight [M + H]+ [M + Na]+ Fragmentations (m/z) Source
Measured mass (m/z) Error (ppm) Measured mass (m/z) Error (ppm)
1 5.091 l-Pyroglutamic acid C5H7NO3 129.0426 130.0505 4.6136    130.0505[M + H]+, 112.0123[M + H–H2O]+, 84.0449[M + H–HCOOH]+ Dangshen
2 8.051 Codonopsine C14H21NO4 267.1471 268.1543 0    268.1543[M + H]+, 250.1451[M + H–H2O]+,
205.0863[M + H–2CH3OH]+
Dangshen
3 9.229 5-hydroxymethyfurfural C6H6O3 126.0317 127.0394 3.1486    127.0394[M + H]+, 109.0291[M + H–H2O]+ Dangshen
4 9.398 Karakolidine C22H35NO5 393.2515 394.2590 0.5072    394.2590[M + H]+, 376.2489[M + H–H2O]+, 358.2371[M + H–2H2O]+ Fuzi
5 10.142 Phenylalanine C9H11NO2 165.0790 166.0872 5.4188    166.0872[M + H]+, 120.0817[M + H–HCOOH]+ Dangshen
6 11.288 Senbusine A C23H37NO6 423.2621 424.2696 0.4713    424.2696[M + H]+, 406.2579 [M + H–H2O]+ Fuzi
7 11.407 9-OH-senbusine A C23H37NO7 439.2570 440.2635 − 1.8170    440.2635[M + H]+, 422.2531[M + H–H2O]+, 408.2318[M + H–CH3OH]+ Fuzi
8 12.042 16-β-hydroxycardiopetaline C21H33NO4 363.2410 364.2480 − 0.5490    364.2480[M + H]+, 346.2372[M + H–H2O]+, 328.2273[M + H–2H2O]+ Fuzi
9 12.389 Mesaconine C24H39NO9 485.2625 486.2697 − 0.2056    486.2697 M + H]+, 468.2573[M + H–H2O]+, 436.2323[M + H–H2O–CH3OH] Fuzi
10 12.578 Songorine C22H31NO3 357.2304 358.2382 1.3957    358.2382[M + H]+, 340.2267[M + H–H2O]+ Fuzi
11 12.908 Karakoline C22H35NO4 377.2566 378.2639 0    378.2639[M + H]+, 360.2533[M + H–H2O]+ Fuzi
12 13.081 Isotalatizidine C23H37NO5 407.2672 408.2743 − 0.2449    408.2743[M + H]+, 390.2630[M + H–H2O]+, 372.2517[M + H–2H2O]+, 358.2374[M + H–H2O–CH3OH]+ Fuzi
13 13.109 Senbusine B C23H37NO6 423.2621 424.2707 3.0640    424.2707[M + H]+, 406.2584 [M + H–H2O]+ Fuzi
14 13.937 14-Acetylkarakoline C24H37NO5 419.2672 420.2750 1.4276    420.2750[M + H]+, 402.1695[M + H–H2O]+,
356.1122[M + H–H2O–2CH3OH]+,
Fuzi
15 14.091 Aconine C25H41NO9 499.2781 500.2850 − 0.7995    500.2850[M + H]+, 482.2741[M + H–H2O]+, 468.2564[M + H–CH3OH]+, 450.2478[M + H–H2O–CH3OH]+, 436.2309[M + H–2CH3OH]+, 418.2209[M + H–H2O–2CH3OH]+ Fuzi
16 14.380 Hetisine C20H27NO3 329.1991 330.2064 0    330.2064[M + H]+, 312.1951[M + H–H2O]+ Fuzi
17 15.319 Hypaconine C24H39NO8 469.2676 470.2744 − 0.8506    470.2744[M + H]+, 453.2301[M + H–OH]+, 438.2474[M + H–CH3OH]+, 406.2212[M + H–2CH3OH]+, 374.1941[M + H–3CH3OH]+ Fuzi
18 15.810 Fuzitine C20H23NO4 341.1627 342.1697 − 0.8767    342.1697[M + H]+, 324.1026[M + H–H2O]+ Fuzi
19 16.070 Fuziline C24H39NO7 453.2727 454.2800 0.2201    454.2800[M + H]+, 436.2677[M + H–H2O]+, 418.2583[M + H–2H2O]+, 404.2443[M + H–H2O–CH3OH]+, 386.2295[M + H–2H2O–CH3OH]+, 354.2069[M + H–2H2O–2CH3OH]+ Fuzi
20 16.248 Tau-cadinol C15H26O 222.1984 245.1852 − 9.7884    245.1852[M + H]+, 213.0195[M + H–CH3OH]+, 199.1252[M + H–CH3OH–CH3]+, 184.9885[M + H–CH3OH–2CH3]+,
169.0055[M + H–CH3OH–3CH3]+,
Ganjiang
21 16.573 Neoline C24H39NO6 437.2777 438.2848 − 0.4563    438.2848 M + H]+, 420.2756[M + H–H2O]+, 388.2478[M + H–H2O–CH3OH]+, 370.2365[M + H–2H2O–CH3OH]+, 356.2213[M + H–H2O–2CH3OH]+ Fuzi
22 16.743 Talatisamine C24H39NO5 421.2828 422.2899 0.4736    422.2899[M + H]+, 390.2621[M + H–CH3OH]+, 358.2349[M + H–2CH3OH]+ Fuzi
23 18.651 Chasmanine C25H41NO6 451.2934 452.3008 02210    452.3008[M + H]+, 420.2737[M + H–CH3OH]+ Fuzi
24 19.739 Geranial C10H16O 152.1201 153.1275 0.6530    153.1275[M + H]+, 135.1162[M + H–H2O]+, 125.0940[M + H–CO]+ Ganjiang
25 20.390 14-Acetyltalatizamine C26H41NO6 463.2934 464.3014 1.5076    464.3014[M + H]+, 432.2753[M + H–CH3OH]+, 414.2645[M + H–CH3OH–H2O]+, 400.2486[M + H–2CH3OH]+, 372.2522[M + H–CH3OH–AcOH]+ Fuzi
26 21.828 7-hydroxycoumarin C9H6O3 162.0317 163.0395 3.0667    163.0395[M + H]+, 145.0627[M + H–H2O]+ Baizhu
27 23.891 Schaftoside C26H28O14 564.1479 565.1542 − 1.7694    565.1542[M + H]+, 547.1434[M + H–H2O]+, 529.1303[M + H–2H2O]+, 511.1220[M + H–3H2O]+ Gancao
28 24.041 Scopoletin C10H8O4 192.0423 193.0500 2.5900    193.0500[M + H]+, 161.0603[M + H–CH3OH]+ Baizhu
29# 24.785 Liquiritigenin C15H12O4 256.0736 257.0819 4.2788    257.0819[M + H]+, 239.0707[M + H–H2O]+, 137.0235[C7H4O3 + H]+, 121.0280[C8H8O + H]+, 120.0525 [C7H4O3 + H–OH]+ Gancao
30# 27.065 Benzoylmesaconine C31H43NO10 589.2887 590.2959 − 0.1694 590.2959[M + H]+, 572.2826[M + H–H2O]+, 558.2663[M + H–CH3OH]+ 540.2573[M + H–CH3OH–H2O]+ Fuzi
31 27.325 Isoviolanthin C27H30O14 578.1636 579.1700 − 1.3812    579.1700[M + H]+, 561.1588[M + H–H2O]+, 543.1485[M + H–2H2O]+, 525.1382[M + H–3H2O]+ Gancao
32# 27.614 Benzoylaconine C32H45NO10 603.3043 604.3114 − 0.3309    604.3114[M + H]+, 587.2801[M + H–OH]+, 554.2711[M + H–2CH3OH]+ Fuzi
33# 28.595 Benzoylhypaconine C31H43NO9 573.2938 574.3011 0    574.3011[M + H]+, 542.2745[M + H–CH3OH]+,,510.2457[M + H–2CH3OH]+ Fuzi
34 28.748 Lobetyolinin C26H38O13 558.2312    581.2203 − 0.3441 581.2203[M + Na]+, 419.1709[M + Na–C6H10O5]+ Dangshen
35 31.019 Liquiritin apioside or Isoliquiritin apioside C26H30O13 550.1686 551.1751 − 1.4514    551.1751[M + H]+, 419.1333[M + H–(Apiose–H2O)]+, 257.0830[M + H–(Apiose–H2O)–(Glc–H2O)]+ Gancao
36# 31.163 Mesaconitine C33H45NO11 631.2993 632.3067 0.3163 632.3067[M + H]+, 614.1110[M + H–H2O]+,
600.2748[M + H–CH3OH]+, 572.2834[M + H–AcOH]+
Fuzi
37 31.423 7-methoxy-liquiritin C22H22O9 430.1264 431.1332 − 1.1597    431.1332[M + H]+, 269.0811[M + H–(Glc–H2O)]+ Gancao
38 31.646 14-Benzoylneoline C31H43NO7 541.3040 542.3135 4.2411    542.3135[M + H]+, 524.3010[M + H–H2O]+,
510.2731[M + H–CH3OH]+, 492.2733[M + H–H2O–CH3OH]+
Fuzi
39 31.659 Dehydrated benzoylhypaconine C31H41NO8 555.2832 556.2906 0.1798    556.2906[M + H]+, 524.2647[M + H–CH3OH]+, 492.2381[M + H–2CH3OH]+ Fuzi
40 31.683 Liquiritin or Isoliquiritin C21H22O9 418.1264 419.1335 0.4771    419.1335[M + H]+, 257.0811[M + H–(Glc–H2O)]+ Gancao
41 31.921 Aconifine C34H47NO12 661.3098 662.3172 0.1509    662.3172[M + H]+, 644.3095[M + H–H2O]+,
626.1346 [M + H–2H2O]+
Fuzi
42 32.100 Hypaconitine C33H45NO10 615.3043 616.3116 0    616.3116[M + H]+, 584.2843[M + H–CH3OH]+
556.2899[M + H–C2H4O2]+, 524.2533[M + H–C2H4O2–CH3OH]+, 496.2678[M + H–C2H4O2–CH3OH–CO]+
Fuzi
43 32.245 Formononetin C16H12O4 268.0736 269.0814 2.2298    269.0814[M + H]+, 254.0580[M + H–CH3]+, 237.0536[M + H–CH3OH]+, 225.0554[M + H–CH3–CO]+, 213.0908[M + H–C2O2]+, 181.0666[M + H–C2O2–CH3OH]+ Gancao
44 32.528 Aconitine C34H47NO11 645.3149 646.3216 − 0.9283    646.3216[M + H]+, 628.3140[M + H–H2O]+,
596.2849[M + H–H2O–CH3OH]+
Fuzi
45 33.241 Deoxyaconitine C34H47NO10 629.3200 630.3273 0    630.3273[M + H]+, 598.3070[M + H–CH3OH]+ Fuzi
46 36.853 Echinatin C16H14O4 270.0892 271.0963 − 0.7377    271.0963[M + H]+, 253.0850[M + H–H2O]+ Gancao
47 38.085 Benzoic acid C7H6O2 122.0368 123.0447 4.8763    123.0447[M + H]+, 77.0379[M + H–HCOOH]+ Baizhu
48# 39.763 Isoliquiritigenin C15H12O4 256.0736 257.0814 2.334    257.0814[M + H]+, 239.0704[M + H–H2O]+, 137.0235[C7H4O3 + H]+, 121.0277[C8H8O + H]+, 120.0527 [C7H4O3 + H–OH]+ Gancao
49 40.720 Glycycoumarin C21H20O6 368.1260 369.1345 3.2508    369.1345[M + H]+, 333.2235[M + H–2H2O]+,
313.1057 [M + H–C4H8]+,
Gancao
50 41.513 6-gingerdione C17H24O4 292.1675 293.1736 − 2.7520    293.1736[M + H]+, 275.1650[M + H–H2O]+
257.1517[M + H–2H2O]+
Ganjiang
51 42.593 Kumatakenin C17H14O6 314.0790 315.0859 − 1.2694    315.0859[M + H]+, 298.2146[M + H–OH]+,
279.0782[M + H–2H2O]+
Ganjiang
52 43.486 6-gingerol C17H26O4 294.1831    317.1737 4.4140 317.1771[M + Na]+, 299.2546[M + Na-H2O]+ Ganjiang
53 43.507 Gingerenone-A C21H24O5 356.1624 357.1710 3.6397    357.1710[M + H]+, 339.2718[M + H–H2O]+, 321.2612[M + H–2H2O]+ Ganjiang
54 43.544 6-shogaol C17H24O3 276.1725 277.1795 1.0823    277.1795[M + H]+, 259.1694[M + Na–H2O]+, Ganjiang
55 45.779 lupiwighteone C20H18O5 338.1154 339.1239 3.5385    339.1239[M + H]+, 321.2818[M + H–H2O]+ Gancao
56 46.339 Atractylenolide III C15H20O3 248.1412 245.1485 0    249.1485[M + H]+, 231.1389[M + H–H2O]+, 175.0751[M + H–H2O–2CO]+, 163.0756[M + H–H2O–C5H8]+ Baizhu
57 48.364 Gancaonin L C20H18O6 354.1103 355.1189 3.6607    355.1189[M + H]+, 337.2536[M + H–H2O]+ Gancao
58 48.398 Licoricesaponin G2 C42H62O17 838.3987 839.4076 1.9061    839.4076[M + H]+, 663.3722[M + H–(GluA–H2O)]+, 469.3308[M + H–2 (GluA–H2O)–H2O]+ Gancao
59# 48.887 Atractylenolide II C15H20O2 232.1463 233.1541 2.1445    233.1541[M + Na]+, 187.1485[M + Na–CH2O2]+,
159.0806[M + Na–CH2O2–C2H4]+, 145.1013 [M + Na–CH2O2–C3H6]+, 131.0857[M + Na–CH2O2–C4H8]+, 105.0703[M + Na–CH2O2–C4H8–C2H2]+
Baizhu
60# 49.296 Glycyrrhizic acid C42H62O16 822.4038 823.4130 2.3075    823.4130 [M + H]+, 647.3793[M + H–(GluA–H2O)]+ Gancao
61 49.667 Farnesal C15H24O 220.1827 221.1907 3.1647    221.1907 M + H]+, 192.9740[M + H–CO]+ Ganjiang
62# 49.841 Glycyrrhetinic acid C30H46O4 470.3396 471.3488 4.031    471.3488[M + H]+, 453.3354[M + H–H2O]+, 435.3224[M + H–2H2O]+, 425.3378[M + H–HCOOH]+ Gancao
63 50.671 Licorice saponin B2 C42H64O15 808.4245    831.4151 1.6838 831.4151 [M + Na]+, 655.3825[M + Na–(GluA–H2O)]+,
479.3547[M + Na–2 (GluA–H2O)]+
Gancao
64 51.232 Licoricone C22H22O6 382.1416 383.1502 3.3929    383.1502[M + H]+, 355.1587[M + H–C2H4]+ Gancao
65 51.390 Atractylenolide I C15H18O2 230.1307 231.1383 1.2979    231.1383[M + H]+, 185.1326[M + H–HCOOH]+,
157.1012[M + H–HCOOH–C2H4]+, 105.0701 [M + H–HCOOH–2C2H4–2C]+
Baizhu
66 52.950 Neoglycyrol C21H18O6 366.1103 367.1165 − 0.5447    367.1165[M + H]+, 349.2239[M + H–H2O]+,
335.2389[M + H–CH3OH]+,
317.2283[M + H–2H2O–CH3OH]+
Gancao
67 54.310 Licorice-saponin J2 C42H64O16 824.4194 825.4286 2.3018    825.4286[M + H]+, 649.3906 [M + H–(GluA–H2O)]+, 455.3537[M + H-2 (GluA–H2O)–H2O]+, 437.3435 [M + H-2 (GluA–H2O)–2H2O]+ Gancao
  1. #Indicates compounds identified by comparing with the reference standards