A novel multidimensional strategy to evaluate Belamcanda chinensis (L) DC and Iris tectorum Maxim based on plant metabolomics, digital reference standard analyzer and biological activities evaluation

Zhou, Hongxu; Zhang, Yi; Liang, Hui; Song, Huijie; Zhao, Jiaming; Liu, Li; Zeng, Jun; Sun, Lei; Ma, Shuangcheng; Meng, Dali

doi:10.1186/s13020-021-00494-3

Table 4 Chemical characterization of B. chinensis (BC) and I. tectorum (ITM) by UHPLC-Q-exactive-MS/MS in positive ion

From: A novel multidimensional strategy to evaluate Belamcanda chinensis (L) DC and Iris tectorum Maxim based on plant metabolomics, digital reference standard analyzer and biological activities evaluation

Peaks	Retention time (min)	m/z Quasi-molecular [M + H]⁺	m/z Calculated [M + H]⁺	Error (ppm)	Formula	MS/MS fragments	Identification	Reference	Source
P1	5.13	423.0919	423.0922	− 7.09	C₁₉H₁₈O₁₁	405, 333, 305, 303, 275	Mangiferin	[14, 18,19,20]	BC, ITM
P2	5.35	423.0919	423.0922	− 7.09	C₁₉H₁₈O₁₁	405, 333, 305, 303, 275	Isomangiferin	[14, 18, 20]	BC, ITM
P3	5.35	437.1087	437.1078	20.59	C₂₀H₂₀O₁₁	315, 303, 301, 279, 227	7-O-Methylmangiferin	[14, 18]	BC
P4	5.49	625.1762	625.1763	− 1.60	C₂₈H₃₂O₁₆	463, 340, 303, 279, 227	Tectorigenin-7-O-glucosyl-4'-O-glucoside	[14, 18, 19, 21]	BC, ITM
P5	6.95	625.1760	625.1763	− 4.80	C₂₈H₃₂O₁₆	540, 510, 463, 437, 315, 301	Tectorigenin-7-O-β-glucosyl (1–6) glucoside	[14, 18, 20]	BC, ITM
P6	7.93	463.1232	463.1235	− 6.48	C₂₂H₂₂O₁₁	301, 286	Tectoridin^a	[14, 18,19,20]	BC, ITM
P7	8.45	493.1345	493.1341	8.11	C₂₃H₂₄O₁₂	463, 331, 316, 307, 229	Iristectorin A^a	[14, 18, 20]	BC, ITM
P8	8.52	479.119	479.1184	12.52	C₂₂H₂₂O₁₂	331, 317, 287	3′-Hydroxytectoridin	[14, 18, 20]	BC, ITM
P9	8.99	493.1347	493.1341	12.17	C₂₃H₂₄O₁₂	331, 314, 279, 261, 199, 154	Iristectorin B^a	[14, 18,19,20]	BC, ITM
P10	9.19	523.1381	523.1373	15.29	C₂₄H₂₆O₁₃	361, 340	Iridin^a	[14, 18, 20]	BC, ITM
P11	9.19	523.1441	523.1446	− 9.56	C₂₄H₂₆O₁₃	361, 340, 279, 227, 199, 154, 142	Iridinisomer	[14, 18, 20]	BC, ITM
P12	10.6	535.1435	535.1446	− 20.56	C₂₅H₂₆O₁₃	421, 377, 336, 315	3′,5′-Dimethoxyirisolone-4′-O-β-d-glucoside	[14, 18, 20]	BC
P13	11.84	301.0706	301.0707	− 3.32	C₁₆H₁₂O₆	286, 231, 154, 142	Tectorigenin^a	[14, 18, 20]	BC, ITM
P14	12.05	673.1777	673.1763	20.80	C₃₂H₃₂O₁₆	643, 615, 515, 361, 301	6′′-O-vanilloyliridin	[14, 18]	BC
P15	12.18	331.0798	331.0812	− 42.29	C₁₇H₁₄O₇	316, 303, 279, 254, 234	Iristectorigenin B^a	[14, 18,19,20]	BC, ITM
P16	12.43	331.0796	331.0812	− 48.33	C₁₇H₁₄O₇	316, 303, 279, 254, 234	Iristectorigenin A^a	[14, 18, 20]	BC, ITM
P17	12.51	361.0912	361.0918	− 16.62	C₁₈H₁₆O₈	346, 331, 183	Irigenin^a	[14, 18, 20]	BC, ITM
P18	12.82	373.0919	373.0918	2.68	C₁₉H₁₆O₈	361, 331, 301, 279, 226	Noririsflorentin	[14, 18]	BC
P19	13.69	299.0549	299.055	− 3.34	C₁₆H₁₀O₆	228, 199, 169, 154	Irilone	[14, 18,19,19]	BC, ITM
P20	14.00	387.1071	387.1074	− 7.75	C₂₀H₁₈O₈	359, 329, 262	Irisflorentin^a	[14, 18,19,20]	BC
P21	14.06	359.0765	359.0761	11.14	C₁₈H₁₄O₈	329, 299, 271, 248, 223	Dichotomitin^a	[14, 18,19,20]	BC

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