Decoction regulating phytochemicals’ micromorphology changes and anti-inflammation activity enhancements originated from herb medicine supermolecules

Yang, Luping; Zhang, Xiang; Wang, Zhijia; Lin, Xiaoyu; Zhang, Yaozhi; Lu, Jihui; Wu, Linying; Yao, Shuchang; Jing, Wenguang; Huang, Xuemei; Wang, Penglong

doi:10.1186/s13020-023-00864-z

Table 1 The Alkaloids identified in the MGF, MGF SA and MIX

From: Decoction regulating phytochemicals’ micromorphology changes and anti-inflammation activity enhancements originated from herb medicine supermolecules

NO	t_R (min)	Compound	Formula	Precursor ion				Fragment ion (m/z)	Source MGF(Q)/MGF SA(T)/MIX(X)
NO	t_R (min)	Compound	Formula	Identity	Theoretical (m/z)	Experimental (m/z)	Mass accuracy (Δppm)	Fragment ion (m/z)	Source MGF(Q)/MGF SA(T)/MIX(X)
A1	1.40	Transtorine	C₁₀H₇NO₃	[M+H]⁺	190.0498	190.0498	0	162.1122	Q/T/X
A2	3.74	Delavaconine	C₂₂H₃₅NO₅	[M+H]⁺	394.2587	394.2578	− 2.43	376.2466, 340.1384	Q/T/X
A3/A4	4.41	Ephedrine/pseudoephedrine	C₁₀H₁₅NO	[M+H]⁺	166.1226	166.1224	− 1.14	148.1116, 133.0884, 117.0699, 91.0545	Q/T/X
A5	4.81	Mesaconine	C₂₄H₃₉NO₉	[M+H]⁺	486.2697	486.2683	− 2.91	468.2593, 454.2429, 436.2316, 422.2151	Q/T/X
A6	5.08	Isotalatizidine	C₂₃H₃₇NO₅	[M+H]⁺	408.2744	408.2733	− 2.69	390.2627	Q/T/X
A7	5.17	Karakoline	C₂₂H₃₅NO₄	[M+H]⁺	378.2638	378.2628	− 2.65	360.2522	Q/T/X
A8	5.27	Aconine	C₂₅H₄₁NO₉	[M+H]⁺	500.2854	500.2839	− 2.99	468.2596, 418.2240	Q/T/X
A9	5.30	Ephedradine B	C₂₉H₃₈N₄O₅	[M+H]⁺	523.2914	523.2913	− 0.22	493.2804	Q/T/X
A10	5.61	Songorine	C₂₂H₃₁NO₃	[M+H]⁺	358.2376	358.2365	− 3.07	340.2261	Q/T/X
A11	5.74	Hetisine	C₂₀H₂₇NO₃	[M+H]⁺	330.2063	330.2052	− 3.45	312.1954	Q/T/X
A12	5.83	Senbusine A	C₂₃H₃₇NO₆	[M+H]⁺	424.2693	424.2691	− 0.55	374.2314, 342.2037	Q/T/X
A13	5.86	Hypaconine	C₂₄H₃₉NO₈	[M+H]⁺	470.2748	470.2740	− 1.68	438.2475, 406.2222	Q/T/X
A14	6.08	Fuziline	C₂₄H₃₉NO₇	[M+H]⁺	454.2799	454.2794	− 3.27	436.2679, 404.2419	Q/T/X
A15	6.36	Neoline	C₂₄H₃₉NO₆	[M+H]⁺	438.2850	438.2848	− 3.39	420.2750, 388.2475, 356.2212	Q/T/X
A16	6.37	6-Methoxykynurenic acid	C₁₁H₉NO₄	[M+H]⁺	220.0604	220.0603	− 0.38	190.1309	Q/T/X
A17	7.07	Talatizamine	C₂₄H₃₉NO₅	[M+H]⁺	422.2900	422.2892	− 2.08	390.2628	Q/T/X
A18	7.68	Chasmanine	C₂₅H₄₁NO₆	[M+H]⁺	452.3006	452.2995	− 2.50	420.2732, 388.2746	Q/T/X
A19	8.19	14-Acetyltalatizamine	C₂₆H₄₁NO₆	[M+H]⁺	464.3006	464.3002	− 3.02	432.2731	Q/T/X
A20	8.32	14-Benzoy-10-OH-mesaconine	C₃₁H₄₃NO₁₁	[M+H]⁺	606.2908	606.2891	− 2.91	556.2535	Q/T/X
A21	9.64	Benzoylmesaconine	C₃₁H₄₃NO₁₀	[M+H]⁺	590.2959	590.2948	− 1.88	558.2239, 526.4912, 508.3276, 482.2066	Q/T/X
A22	10.23	Benzoylaconine	C₃₂H₄₅NO₁₀	[M+H]⁺	604.3116	604.3099	− 2.78	572.4022, 540.1622, 522.1387	Q/T/X
A23	10.68	Benzoylhypaconine	C₃₁H₄₃NO₉	[M+H]⁺	574.3010	574.2991	− 3.25	542.2719, 510.2502	Q/T/X
A24	10.97	Pyromesaconitine	C₃₁H₄₁NO₉	[M+H]⁺	572.2854	572.2852	− 0.32	540.1609, 522.1375	Q/T/X
A25	12.00	Mesaconitine	C₃₃H₄₅NO₁₁	[M+H]⁺	632.3065	632.3060	− 0.70	582.2117, 572.4024, 540.1611, 522.3276, 512.4753	Q/T/X
A26	12.03	Aconifine	C₃₄H₄₇NO₁₂	[M+H]⁺	662.3171	662.3161	− 1.42	612.1836, 602.4131, 584.5106, 542.5142	Q/T/X
A27	12.92	Aconitine	C₃₄H₄₇NO₁₁	[M+H]⁺	646.3221	646.3201	− 3.18	538.1632, 526.4910	Q/T/X
A28	13.08	Hypaconitine	C₃₃H₄₅NO₁₀	[M+H]⁺	616.3116	616.3100	− 2.53	556.2861, 496.3461	Q/T/X
A29	13.95	Deoxyaconitine	C₃₄H₄₇NO₁₀	[M+H]⁺	630.3272	630.3265	− 1.16	598.2984, 570.3065, 538.2811, 510.2838, 506.2526	Q/T/X

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ISSN: 1749-8546

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