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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 Tectoridina [14, 18,19,20] BC, ITM
P7 8.45 493.1345 493.1341 8.11 C23H24O12 463, 331, 316, 307, 229 Iristectorin Aa [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 Ba [14, 18,19,20] BC, ITM
P10 9.19 523.1381 523.1373 15.29 C24H26O13 361, 340 Iridina [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 Tectorigenina [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 Ba [14, 18,19,20] BC, ITM
P16 12.43 331.0796 331.0812 − 48.33 C17H14O7 316, 303, 279, 254, 234 Iristectorigenin Aa [14, 18, 20] BC, ITM
P17 12.51 361.0912 361.0918 − 16.62 C18H16O8 346, 331, 183 Irigenina [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 Irisflorentina [14, 18,19,20] BC
P21 14.06 359.0765 359.0761 11.14 C18H14O8 329, 299, 271, 248, 223 Dichotomitina [14, 18,19,20] BC
  1. aAuthentic standards