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Table 5 Chemical characterization of B. chinensis (BC) and I. tectorum (ITM) by UHPLC-Q-exactive-MS/MS in negative 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
N1 3.6 535.166 535.1668 − 14.95 C21H30O13 525, 489, 323, 235, 215 Tectoruside [3, 19] BC, ITM
N2 3.96 583.1314 583.1305 15.43 C25H28O16 535, 489, 403, 352, 307, 273 Neomangiferin [3, 18, 19] BC
N3 4.23 373.1141 373.114 2.68 C15H20O8 363, 273, 235, 215 Androsin [3, 19] BC, ITM
N4 5.12 421.078 421.0776 9.50 C19H18O11 364, 327, 307, 273, 235, 215 Mangiferin [3, 18, 19] BC, ITM
N5 5.35 421.0779 421.0776 7.12 C19H18O11 395, 333, 307, 273, 255, 235, 215 Isomangiferin [3, 18] BC, ITM
N6 6.40 435.0923 435.0933 − 22.98 C20H20O11 377, 339, 307, 275, 235, 215 7-O-methylmangiferin [3, 18] BC
N7 6.50 447.0926 447.0933 − 15.66 C21H20O11 327, 313, 285, 235, 215 Luteolin-6-C-β-d-glucoside [3, 22] BC, ITM
N8 6.93 435.0925 435.0933 − 18.39 C20H20O11 391, 352, 313, 275, 235, 215 7-O-methylisomangiferin [3, 18] BC
N9 6.95 623.1622 623.1618 6.42 C28H32O16 567, 537, 435, 313, 299, 284, 235,215 Tectorigenin-7-O-glucosyl-4′-O-glucoside [3, 23] BC, ITM
N10 7.11 463.1246 463.1246 0.00 C22H24O11 327, 273, 235, 215 Dihydrokaempferol-7-O-glucoside [3, 23] ITM
N11 7.37 653.1712 653.1723 − 16.84 C29H34O17 595, 509, 403, 329, 243 Iristectorigenin-A-7-O-β-glucosyl (1 → 6)-glucoside [3, 18, 19] BC
N12 7.57 431.0973 431.0984 − 25.52 C21H20O10 431, 269, 235, 215 Saponaretin [3, 22] BC, ITM
N13 7.57 477.1029 477.1038 − 18.86 C21H20O10 431, 269, 235 Genistein-7-O-glucoside [3, 24] BC, ITM
N14 7.92 461.1087 461.1089 − 4.34 C22H22O11 299 Tectoridina [3, 18] BC, ITM
N15 7.92 461.1087 461.1089 − 4.34 C22H22O11 413, 352, 329, 299, 284, 255 Tectorigenin-4′-O-β-d-glucoside [3, 18] BC, ITM
N16 7.92 507.1147 507.1144 5.92 C22H22O11 461, 299 Isotectorigenin-7-O-β-d-glucoside [3, 18] BC, ITM
N17 8.01 593.1499 593.1512 − 21.92 C27H30O15 507, 461, 299 Genistein-7-Ogentiobioside [3, 25] BC
N18 8.21 447.0925 447.0933 − 17.89 C21H20O11 352, 317, 273, 235, 215 Orobol-7-O-d-glucoside [3, 24] BC
N19 8.43 491.1202 491.1195 14.25 C23H24O12 329, 314, 227, 215 Iristectorin Aa [3, 18, 19] BC, ITM
N20 8.99 491.1201 491.1195 12.22 C23H24O12 329, 314, 227, 215 Iristectorin Ba [3, 18, 19] BC, ITM
N21 9.19 521.1293 521.1301 − 15.35 C24H26O13 427, 359, 344 Iridina [3, 18] BC, ITM
N22 9.19 567.1348 567.1355 − 12.34 C24H26O13 521, 507, 359, 344 Isoiridin [3, 18] BC, ITM
N23 9.83 257.0815 257.0819 − 15.56 C15H14O4 246, 230, 215 Gnetucleistol D [3] BC, ITM
N24 11.57 653.1708 653.1723 − 22.96 C29H34O17 326, 299, 269 Iristectorin-B-4′-O-glucoside [3, 18] ITM
N25 11.68 519.113 519.1144 − 26.97 C24H24O13 326, 268, 230 Dichotomitin-3′-O-glucoside [3, 18, 19] BC, ITM
N26 11.84 299.0557 299.0561 − 13.38 C16H12O6 284, 268, 242, 230, 215, 195 Tectorigenina [3, 18, 19] BC, ITM
N27 12.02 641.151 641.1512 − 3.12 C31H30O15 459, 299 6′′-O-phydroxybenzoyliridin [3, 18] BC, ITM
N28 12.04 671.1599 671.1618 − 28.31 C32H32O16 641, 613, 359, 326, 299 6′′-O-vanilloyliridin [3, 18] BC, ITM
N29 12.18 329.0667 329.0667 0.00 C17H14O7 315, 286, 268, 242 Iristectorigenin Ba [3, 18, 19] BC, ITM
N30 12.43 329.0667 329.0667 0.00 C17H14O7 315, 286, 268, 242, 198 Iristectorigenin Aa [3, 18] BC, ITM
N31 12.46 301.0715 301.0718 − 9.96 C16H14O6 280, 273, 242, 215 Dihydrokaempferide [3, 23] BC, ITM
N32 12.51 359.0763 359.0772 − 25.06 C18H16O8 344, 329, 181 Irigenina [3, 18] BC, ITM
N33 13.66 297.0406 297.0405 3.37 C16H10O6 280, 258, 230, 215 Irilone [3, 18, 19] BC, ITM
N34 13.68 343.0822 343.0823 − 2.91 C18H16O7 318, 297, 280 Dalspinosin [3] BC, ITM
N35 13.94 327.0511 327.051 3.06 C17H12O7 294, 258, 230 Iriflogenin [3] BC, ITM
N36 13.94 373.0919 373.0929 − 26.80 C19H18O8 336, 294, 280, 258, 230, 215 Junipegenin C [3, 18] BC
N37 14.04 357.0607 357.0616 − 25.21 C18H14O8 294, 230 Dichotomitina [3, 18, 19] BC
  1. aAuthentic standards