The combination of UHPLC-HRMS and molecular networking improving discovery efficiency of chemical components in Chinese Classical Formula

Table 2 Tentative identification of the chemical constituents of Erdong decoction by UHPLC- MS in the positive mode

Peak no.	T_R (min)	Formula	Adduct ion	Experimental mass m/z	Theoretical mass m/z	Mass error (ppm)	Fragment ions	Identification	Source
114	6.43	C₁₉H₂₃NO₃	[M+H]⁺	314.1746	314.1751	− 1.433	283.1324, 252.1144, 189.0908, 174.0670, 145.0645, 107.0494	Armepavine	N
115	6.89	C₁₈H₂₁NO₃	[M+H]⁺	300.1591	300.1594	− 1.100	283.1324, 252.1143, 189.0909, 174.0671, 145.0647, 107.0494	NorarMepavine	N
116	9.06	C₁₈H₁₉NO₃	[M+H]⁺	282.1485	282.1489	− 1.366	251.1062, 236.0828, 219.0801, 191.0853	O-Nornuciferine	N
117	10.84	C₃₈H₄₄N₂O₆	[M+H]⁺	625.3267	625.3272	− 0.885	566.4268, 489.2368, 325.0908, 206.1174, 163.0388, 121.0649	Dauricine	N
118	12.78	C₁₇H₁₅NO₂	[M+H]⁺	266.1172	266.1176	− 1.485	249.0906, 219.0801, 191.0853	Anonaine	N
119	12.82	C₁₈H₁₉NO₂	[M+H]⁺	282.1486	282.1489	− 0.834	265.1219, 250.0984, 234.1036	N-Methylnuciferine	N
120	12.96	C₁₈H₁₇NO₂	[M+H]⁺	280.1330	280.1332	− 0.840	249.0907, 219.0803, 191.0854, 149.0233	Roemerine	N
121	13.07	C₁₉H₂₁NO₂	[M+H]⁺	296.1643	296.1645	− 0.255	265.1218, 250.0984, 234.1035	Nuciferine	N
122	14.2	C₁₉H₂₁NO₃	[M+H]⁺	312.1591	312.1594	− 0.300	265.1219, 250.0986, 234.1033	Pronuciferine	N
123	16.96	C₂₀H₂₁NO₄	[M+H]⁺	340.1539	340.1543	− 1.278	269.1166, 233.1045, 215.0938, 197.0836, 178.0864	Tetrahydroberberine THB	N

ISSN: 1749-8546