Table 1.
Tentative identification of secondary metabolites from Gaultheria pumila fruits.
| Peak | RT | λ Max (nm) |
Elemental Composition [M + H]+ [M − H]− |
Measured Mass (m/z) |
Theorical Mass (m-z) |
Accuracy (ppm) |
MSn Ions | Tentative Identification |
|---|---|---|---|---|---|---|---|---|
| 1a | 11.45 | 234–282–520 | C20H19O11+ | 435.10989 | 435.09219 | 40.685 | 303.05676, 247.12254, 178.13483, 155.15498, 130.00858 | Delphinidin-3-O-arabinoside |
| 2a | 11.94 | 239–522 | C21H21O12+ | 465.12381 | 465.10275 | 45.144 | 303.05667, 247.12254, 183.10243, 130.15967 | Delphinidin 3-O-galactoside * |
| 3a | 12.26 | 280–521 | C21H21O11+ | 449.12598 | 449.10784 | 40.394 | 287.06052, 247.12250, 171.09984, 147.04466 | Cyanidin 3-O-galactoside * |
| 4a | 12.58 | 281–517 | C20H19O10+ | 419.11234 | 419.09727 | 35.949 | 287.06049, 209.04585, 147.04463 | Cyanidin-3-O-arabinoside * |
| 5a | 12.99 | 238–309–516 | C22H23O11+ | 463.10559 | 463.12349 | −38.648 | 301.16412, 225.81639, 171.09319 | Peonidin-3-O-glucoside |
| 1 | 2.94 | 232 | C18H17O9− | 377.08575 | 377.08781 | −2.542 | 279.19812, 218.78490, 162.83897 | Vaccihein A |
| 2 | 3.06 | 232 | C16H23O12− | 407.11966 | 407.11950 | 3.089 | 295.51428, 156.00233, 119.60213 | Unedide |
| 3 | 3.38 | 256 | C19H11O6− | 335.05420 | 335.05611 | −2.431 | 268.80099, 215.03267, 160.84152 | Pongapin |
| 4 | 11.58 | 234–297 | C16 H17O9− | 353.08820 | 353.08781 | 4.224 | 314.02936, 191.05566, 135.04482, 109.02880 | Caffeoylquinic acid derivative |
| 5 | 12.17 | 236–282 | C12H13O8− | 285.06189 | 285.06159 | 4.898 | 219.44096, 167.07101, 108.02096 | Uralenneoside |
| 6 | 12.47 | 236–299 | C16H17O9− | 353.08804 | 353.08781 | 3.771 | 707.18433, 191.05592 | Chlorogenic acid |
| 7 | 12.67 | 236–282–517 | C20H17O10− | 417.08307 | 417.08272 | 3.469 | 163.03966, 128.04340, 119.04950 | Coumaric acid glucoside |
| 8 | 12.98 | 236–312 | C26H27O14− | 563.14105 | 563.14063 | 2.696 | 281.06680, 191.05582, 115.91994 | Isoschaftoside |
| 9 | 13.25 | 237–323 | C16H15O8− | 335.07755 | 335.07724 | 4.196 | 213.96364, 179.03458, 135.04459 | 5-O-Caffeoylshikimic acid |
| 10 | 13.39 | 238–326 | C25H27O14− | 551.14050 | 551.14063 | 1.757 | 179.03439, 135.04460 |
Caffeic acid derivative |
| 11 | 13.50 | 254–354 | C21H19O13− | 479.08319 | 479.08311 | 2.448 | 317.09708, 289.08298, 213.96367, 115.91998 | Myricetin-O-hexoside |
| 12 | 13.70 | 238 | C20H17O12− | 449.07294 | 449.07255 | 3.313 | 319.04620, 183.02954, 134.89410 | Methyl gallate derivative |
| 13 | 13.96 | 241–304 | C25H27O13− | 535.14545 | 535.14571 | 1.556 | 357.11948, 163.03975, 119.04951 | p-coumaroyl monotropein isomer |
| 14 | 14.05 | 255–352 | C21H19O12− | 463.08838 | 463.08820 | 2.759 | 385.11417, 281.06665, 163.03955 | Myricetin-O-rhamnoside |
| 15 | 14.34 | 243–351 | C20H17O11− | 433.07782 | 433.07763 | 2.961 | 300.02753, 279.05096, 151.00316, 138.07101, 107.01299 | Quercetin 3-O-ribose |
| 16 | 14.41 | 255–351 | C20H17O11− | 433.07776 | 433.07763 | 2.822 | 300.02744, 151.03909 134.89404, 115.91995 | Quercetin 3-O-arabinoside * |
| 17 | 14.53 | 255–347 | C20H17O11− | 433.07773 | 433.07763 | 2.753 | 301.03571, 263.05963, 151.00317, 115.92000 | Quercetin 3-O-xyloside |
| 18 | 14.62 | 245–317 | C21H19O11− | 447.09341 | 447.09329 | 2.734 | 300.02750, 251.05937, 115.92000, 151.00310 | Quercitrin |
| 19 | 15.28 | 244–339 | C21H17O12− | 461.07294 | 461.07255 | 3.227 | 285.04007, 174.95566, 151.03946, 132.86728, 108.02094 | Luteolin-7-glucuronide |
| 20 | 15.49 | 244 | C21H17O12− | 461.07297 | 461.07255 | 3.292 | 309.17999, 195.96376 151.00304, 123.04469 | Galloyl derivative |
| 21 | 16.21 | 244 | C23H29O11− | 481.17169 | 481.17154 | 2.602 | 255.82225, 160.84169, 115.92001 | Nuzhenal B |
| 22 | 17.71 | 248 | C15H9O7− | 301.03555 | 301.03538 | 4.222 | 285.04120, 236.97911, 151.00301, 121.02882, 107.01293 | Quercetin |
| 23 | 20.86 | 245 | C27H45O13− | 577.28729 | 577.28657 | 3.157 | 450.53427, 425.21106, 207.85930 | Procyanidin B-type dimer |
| 24 | 21.32 | 247 | C18H33O5− | 329.23383 | 329.23335 | 4.797 | 197.80783, 160.84171, 122.02425 | Pinellic acid |
| 25 | 22.58 | 250 | C20H29O6− | 365.19760 | 365.19696 | 4.751 | 314.38947, 221.08304, 153.09119 | Enmenol |
| 26 | 23.56 | 254–290 | C23H19O12− | 487.08856 | 487.08820 | 3.054 | 427.03278, 311.22318, 191.10770 | Caffeoyl feruloyl tartaric acid |
| 27 | 24.13 | 255 | C18H33O4− | 313.23877 | 313.23843 | 4.578 | 284.97467, 174.95573, 149.92661, 116.95750 | Octadecanedioic acid |
| 28 | 24.81 | 257 | C20H39O3− | 327.29071 | 327.29047 | 4.089 | 266.28955, 206.63348, 136.34750 | 2-Hydroxyeicosanoic acid |
| 29 | 29.03 | 258 | C24H35O8− | 451.23380 | 451.23374 | 2.561 | 297.15295, 265.14801, 235.09744 | Scupolin I |
| 30 | 29.41 | 258 | C18H15O7− | 343.08267 | 343.08233 | 4.199 | 279.16360, 265.14801, 233.08183, 162.83871 | Eupatorin |
| 31 | 29.81 | 258 | C27H47O14− | 595.28961 | 595.29713 | −10.789 | 253.98213, 198.76825, 144.82085 | Dictamnoside M |
Abbreviations: RT = retention time and * = identified using authentic compounds.