Evidence-Based Complementary and Alternative Medicine

Research Article

In Vitro and In Vivo Antioxidative Activity against Radiation-Induced Damage and the Systematic Chemical Components of Different Extracts of Lagotis brevituba Maxim

Table 3

Identiﬁcation of the compounds in the extract of L. brevituba Maxim by LC-ESI-QTOF-MS/MS.


Peak no.	Rt (min)	Molecular formula	[M + H]⁺ (m/z)	[M − H]⁻ (m/z)	Error (ppm)	MS/MS fragments	Proposed compound	Classification

1	1.69	C₁₂H₂₂O₁₁	—	341.10894	−0.7	179.0560, 119.0353, 89.0256^a	Sucrose	Carbohydrate
2	1.69	C₂₁H₁₆O₆	365.10196	—	8.6	347.0926, 275.0721, 203.0522, 185.0411	Xanthotoxol hexoside	Phenol
3	1.99	C₁₆H₂₂O₁₀	—	373.11402	−1.9	211.0950, 123.0450^a	Geniposidic acid	Iridoid glycoside
4	24.59	C₂₄H₂₆O₁₃	523.14462	—	−1.2	361.0897, 346.0666, 272.0664	Iridin	Flavonoid
5	2.34	C₄H₆O₅	—	133.01425	1	115.0031, 71.0138, 59.0167^a	Malic acid	Phenol
6	23.5	C₃₁H₃₈O₁₆	—	665.20871	0.5	461.1660, 161.0240, 133.0290^a	Acetyl acteoside	Phenylethanoid glycoside
7	23.31	C₁₈H₁₆O₈	—	359.07724	−1.5	197.0465, 179.0341, 161.0240, 135.0442^a	Rosmarinic acid	Phenol
8	3.93	C₁₅H₁₈O₈	—	325.09289	−0.9	163.0396, 119.0503^a	Coumaric hexoside	Phenol
9	4.42	C₁₆H₁₈O₉	—	353.08781	−1.9	191.0556, 173.0459, 161.0243, 85.0292, 59.0148^a	4-Caffeoylquinic acid	Phenol
10	23.26	C₃₀H₃₈O₁₅	—	637.21379	1	461.1652, 443.1579, 315.1072, 193.0498, 175.0394, 153.0549^a	Methyl acteoside	Phenylethanoid glycoside
11	21.81	C₂₁H₂₀O₁₀	433.11292	—	−0.9	271.0593, 153.0171	Apigenin hexoside	Flavonoid
12	5.92	C₇H₆O₃	139.03897	137.02442	1	93.0356, 65.0412^a	Hydroxybenzoic acid	Phenol
13	17.94	C₂₁H₁₈O₁₂	463.0871	461.07255	−2.4	287.0542, 241.0463, 153.0175, 285.0399^a	Kaempferol glucuronide	Flavonoid
14	9.11	C₂₁H₂₀O₁₂	465.10275	463.0882	0.2	303.0498, 285.0393, 301.0347, 300.0264^a	Quercetin hexoside	Flavonoid
15	16.09	C₁₆H₁₂O₇	317.06558	—	−0.7	302.0413, 274.0464	Isorhamnetin	Flavonoid
16	9.91	C₃₅H₄₆O₂₁	—	801.24588	−0.1	639.2160, 477.1629, 315.1079, 161.0248, 133.0294^a	Plantamajoside hexoside	Phenylethanoid glycoside
17	10	C₂₇H₃₀O₁₆	—	609.14611	0.2	447.0840, 285.0384, 284.0320^a	Kaempferol dihexoside	Flavonoid
18	16.09	C₂₂H₂₂O₁₂	479.1184	—	−0.8	317.0648, 302.0413, 245.0444	Isorhamnetin hexoside	Flavonoid
19	15.96	C₂₃H₂₆O₁₁	—	477.14024	−1	315.0501, 179.0354, 161.0246, 133.0259^a	Desrhamnosyl acteoside	Phenylethanoid glycoside
20	12.83	C₂₄H₃₀O₁₂	—	509.16645	−0.6	147.0443^a	Globularimin/globularinin	Iridoid glycoside
21	12.89	C₂₁H₁₈O₁₃	—	477.06746	−0.2	343.0440, 301.0339, 300.0275, 255.0259^a	Quercetin glucuronide	Flavonoid
22	13.51	C₃₄H₄₄O₁₉	—	755.2404	0.9	623.1966, 593.2107, 575.1989, 461.1668, 447.1503, 315.1076, 161.0245, 153.0550, 133.0291^a	Lavandulifolioside	Phenylethanoid glycoside
23	15.94	C₂₈H₃₂O₁₆	625.17631	—	−0.9	317.0642, 302.0415	Isorhamnetinrhamno-hexoside/Isorhamnetin rutinoside	Flavonoid
24	14.86	C₂₁H₂₀O₁₁	449.10784	—	−1	287.0543, 241.0490, 153.0184	Kaempferol hexoside	Flavonoid
25	15.01	C₂₇H₃₀O₁₅	595.16575	593.15119	−0.9	287.0536, 447.0931, 285.0389, 284.0305^a	Kaempferol rhamno-hexoside/Kaempferol rutinoside	Flavonoid
26	15.05	C₂₉H₃₆O₁₅	—	623.19814	0.1	461.1660, 161.0248, 135.0452^a	Acteoside/Isoacteoside	Phenylethanoid glycoside
27	13.7	C₁₀H₁₀O₄	—	193.05063	0.8	178.0264, 149.0616, 134.0371^a	Ferulic acid	Phenol
28	11.5	C₉H₈O₃	—	163.04007	0.3	119.0508, 93.0359^a	Coumaric acid	Phenol
29	11.3	C₂₉H₃₆O₁₆	—	639.19306	0.5	477.1610, 315.1077, 179.0347, 161.0242, 135.0442, 133.0293^a	Plantamajoside	Phenylethanoid glycoside
30	9.12	C₁₅H₁₀O₇	303.04993	301.03538	−0.4	285.0383, 229.0465255.0319^a	Quercetin	Flavonoid
31	6.57	C₉H₈O₄	—	179.03498	0.7	135.0448, 89.0388^a	Caffeic acid	Phenol
32	21.3	C₂₇H₃₀O₁₄	579.17083	—	−1.2	271.0593, 153.0211	Apigeninrhamno-hexoside/Apigenin rutinoside	Flavonoid
33	5.16	C₃₅H₄₆O₂₀	—	785.25097	0.8	623.2213, 179.0357, 161.0247, 133.0292^a	Echinacoside	Phenylethanoid glycoside
34	23.18	C₂₈H₃₂O₁₅	609.1814	—	−1.9	463.1253, 301.0696, 286.0457, 258.0505, 229.0469, 153.0168	Chrysoeriolrhamnoside hexoside	Flavonoid
35	4.62	C₁₆H₂₀O₉	—	355.10346	−2.7	193.0507, 134.0373^a	Ferulic acid hexoside	Phenol
36	3.58	C₇H₆O₄	—	153.01933	1.5	109.0297, 108.0218, 91.0189, 81.0358, 65.0032, 53.0422^a	Protocatechuic acid	Phenol
37	2.52	C₆H₈O₇	—	191.01973	−0.3	111.0085, 87.0075, 59.0149^a	Citric acid	Phenol
38	23.64	C₂₂H₂₂O₁₁	463.12349	—	−0.6	301.0705, 286.0465, 229.0493	Chrysoeriol hexoside	Flavonoid
39	2.22	C₄H₆O₄	—	117.01933	0.5	99.9251, 73.0305^a	Succinic acid	Phenol
40	25.51	C₂₁H₁₈O₁₁	447.09219	—	−1.8	271.0591, 229.0486, 153.0186	Apigenin glucuronide	Flavonoid
41	33.59	C₁₅H₁₀O₆	—	285.04046	−2	285.0400, 151.0034, 133.0296^a	Luteolin	Flavonoid
42	33.89	C₉H₈O₂	—	147.04515	2.4	119.0541, 103.0557, 101.0410, 77.0392, 61.9906^a	Cinnamic acid	Phenol
43	39.27	C₁₅H₁₀O₅	—	269.04555	−3.3	117.0343, 107.0136, 83.0119^a	Apigenin	Flavonoid
44	40.38	C₁₆H₁₂O₆	301.07066	299.05611	−0.2	286.0455, 258.0509, 229.0498, 153.0173, 284.0321, 256.0362, 227.00328^a	Chrysoeriol	Flavonoid

^aFragmentation pattern in negative ionization mode.