. 2019 Mar 1;14:6. doi: 10.1186/s13020-019-0227-z

Table 2.

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

Peak no.	Rt (min)	Systematic name	Molecular formula	Molecular weight	[M + H]⁺		[M + Na]⁺		Fragmentations (m/z)	Source
Peak no.	Rt (min)	Systematic name	Molecular formula	Molecular weight	Measured mass (m/z)	Error (ppm)	Measured mass (m/z)	Error (ppm)	Fragmentations (m/z)	Source
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

^#Indicates compounds identified by comparing with the reference standards