Evidence-Based Complementary and Alternative Medicine

Research Article

Construction and Chemical Profile on “Activity Fingerprint” of Citri Reticulatae Pericarpium from Different Cultivars Based on HPLC-UV, LC/MS-IT-TOF, and Principal Component Analysis

Table 2

Major chemical compounds of CRP identified by LC/MS-IT-TOF.


Peak no.	RT (min)	[M + H]⁺ (m/z)	Molecular formula	Fragment ions (m/z)	Identified compounds

2	14.746	581.1854	C₂₇H₃₂O₁₄	563.1743, 545.1634, 401.1057, 339.0855, 315.0814, 273.0756, 263.0544, 245.0433, 231.0385, 219.0280, 195.0291, 179.0287, 153.0179, 135.0564	Naringin
3^a	14.995	611.1956	C₂₈H₃₄O₁₅	580.6021, 465.1423, 449.1420, 431.1322, 413.1220, 345.0960, 303.0855, 281.0644, 263.0533, 219.0288, 195.0278, 177.0539, 153.0179	Hesperidin
4	16.162	611.1957	C₂₈H₃₄O₁₅	596.2038, 575.1750, 465.1420, 449.2690, 431.1318, 413.1227, 369.0966, 345.0954, 303.0864, 281.0647, 263.0539, 219.0288, 195.0280, 177.0540, 153.0179	Neohesperidin
5	18.506	595.2011	C₂₈H₃₄O₁₄	449.1152, 433.1460, 397.1286, 379.1211, 365.0712, 287.0888, 256.0431, 224.1293, 195.0290, 183.0582, 165.0598	Poncirin
6	26.814	373.1273	C₂₀H₂₀O₇	358.1033, 343.0800, 327.0501, 299.0504, 285.0613, 189.0301, 165.0171, 151.0752	Isosinensetin
7	28.119	389.1224	C₂₀H₂₀O₈	374.0996, 360.0797, 359.0761, 341.0662, 331.0804, 328.0944, 313.0592, 211.0154, 193.0088	Monohydroxy-pentamethoxyflavone
8	31.411	373.1265	C₂₀H₂₀O₇	357.0960, 343.0837, 339.0865, 329.1018, 327.0533, 313.0688, 312.1002, 297.0766, 269.0820, 181.0395	Sinensetin
9^a	36.272	403.1386	C₂₁H₂₂O₈	388.1121, 373.0921, 355.0809, 345.0944, 342.1099, 327.0657, 313.0708, 258.0526, 183.0296, 165.0519	Nobiletin
10	37.217	343.1140	C₁₉H₁₈O₆	327.0402, 313.0709, 309.0764, 299.0914, 282.0887, 267.0650, 153.0186, 135.0642	Tetramethyl-O-scutellarin
11^a	39.931	433.1510	C₂₂H₂₄O₉	418.1239, 417.1167, 403.1003, 385.0903, 373.0529, 345.0600, 317.0655, 183.0288, 165.0188	3,5,6,7,8,3′,4′-Heptamethoxyflavone
12^a	41.968	373.1281	C₂₀H₂₀O₇	358.1050, 343.0812, 328.0579, 325.0725, 312.0993, 297.0761, 283.0589, 211.0256, 183.0292, 135.0442	Tangeretin
13	42.637	375.1458	C₁₉H₁₈O₈	345.0606, 327.0507, 299.0558, 227.0550, 211.0613, 196.0361, 183.0287, 167.0343	Dihydroxy-tetramethoxyflavone
14^a	44.908	389.1227	C₂₀H₂₀O₈	374.0996, 359.0761, 356.0886,343.0440, 341.0662, 331.0804, 328.0944, 327.0862, 298.0473, 197.0092, 165.0758, 151.0520	5-Hydroxy-6,7,8,3′,4′-pentamethoxyflavone
15	45.577	405.1564	C₂₀H₂₀O₉	375.1424, 345.1332, 329.1027, 241.0711, 226.0477, 211.0238, 165.0187	Dihydroxy-pentamethoxyflavone
16	46.073	419.1326	C₂₁H₂₂O₉	404.1032, 389.0983, 371.0802, 357.0587, 163.0385	Monohydroxy-hexamethoxyflavone
17	47.053	359.1138	C₁₉H₁₈O₇	344.0858, 329.0659, 326.1001, 311.0568, 298.0835, 210.1810	5-Hydroxy-6,7,8,4′-tetramethoxyflavone
18	48.439	375.1424	C₁₉H₁₈O₈	345.0898, 241.0654, 226.0423, 211.0211, 183.0290	Dihydroxy-tetramethoxyflavone

^aConfirmed in comparison with standard compounds.