Table 1.
Metabolites tentatively identified in the GrM extract.
| Rt (min) | Tentative Assignment | Formula | [M − H]– Found (m/z) | [M − H]– calc. (m/z) | Error (ppm) | RDB | MS/MS Fragment Ions (m/z) | |
|---|---|---|---|---|---|---|---|---|
| 1 | 0.308 | Gallic acid hexoside | C13H16O10 | 331.0666 | 331.0671 | –1.3 | 6 | 169.014; 125.0248 |
| 2 | 3.129 | Benzyl O-[arabinofuranosyl-(1-6)-glucoside] | C18H26O10 | 401.1460 437.1232 [M + Cl]– |
401.1453 | 1.7 | 6 | 269.1030; 193.0486; 101.0238; 85.0279 |
| 3 | 4.204 | Lariciresinol hexoside | C26H34O11 | 521.2043 | 521.2028 | 2.8 | 10 | 359.1507; 344.1273; 329.1035; 313.1078; 299.0936; 255.0657; 255.0687; 241.0509 |
| 4 | 5.086 | Myricetin derivative | C23H16O14 | 515.0456 | 515.0467 | –2.2 | 16 | 339.0125; 317.0300; 316.0225; 271.0225; 178.9976; 151.0018 |
| 5 | 5.091 | Myricetin hexoside 1 | C21H20O13 | 479.0840 | 479.0831 | 1.8 | 12 | 479.0829; 317.0310; 316.0235; 287.0209; 271.0263; 270.0187; 259.0268; 214.0280 |
| 6 | 5.094 | Myricetin hexuronide | C21H18O14 | 493.0630 | 493.0624 | 1.3 | 13 | 493.0665; 317.0310 (178.9980; 151.0042; 137.0243; 109.0291); 299.0203; 271.0253; 227.0347; 178.9989; 151.0039; 137.0246 |
| 7 | 5.224 | Myricetin hexoside 2 | C21H20O13 | 479.0841 | 479.0831 | 2.1 | 12 | 317.0310; 316.0228; 287.0202; 271.0253; 270.0185; 259.0248; 242.0219; 214.0291; 178.9968; 151.0043 |
| 8 | 5.323 | Furan/piran linalool oxide pentosyl hexoside | C21H36O11 | 463.2198 509.2253 [M + FA]– |
463.2185 | 2.8 | 4 | 463.0896; 331.1754; 161.0447; 101.0240; 85.0289 |
| 9 | 5.424 | Myricetin hexosyl hexuronide | C27H28O19 | 655.1143 | 655.1152 | –1.4 | 14 | 655.1182; 493.0629; 479.0824; 317.0288 |
| 10 | 5.580 | Caffeic acid derivative | C22H36O12 | 491.2190 | 491.2134 | 5.9 | 5 | 329.1618; 227.1272; 101.0242 |
| 11 | 5.731 | Hydroxygeraniol pentosyl hexoside |
C21H38O11 | 465.2353 501.2113 [M + Cl]– |
465.2341 | 2.5 | 3 | 251.0794; 191.0578; 149.0447; 131.0352; 101.0241; 89.0246 |
| 12 | 6.270 | Rutin | C27H30O16 | 609.1486 | 609.1461 | 4.1 | 13 | 609.1498; 301.0343; 300.0268; 271.0227; 255.0285 |
| 13 | 6.288 | Quercetin hexuronide | C21H18O13 | 477.0685 955.1420 [2M – H]– |
477.0675 | 3.2 | 13 | 477.0690; 301.0351; 283.0244; 273.0399; 255.0293; 245.0450; 211.0395; 178.9979; 151.0029; 121.0297; 107.0136 |
| 14 | 6.494 | Quercetin hexoside | C21H20O12 | 463.0896 | 463.0882 | 3 | 12 | 463.0896; 301.0345; 300.0268; 271.0236; 255.0281; 243.0281; 227.0327; 178.9926; 151.0017 |
| 15 | 7.998 | Kaempferol rutinoside | C27H30O15 | 593.1534 | 593.1512 | 3.7 | 13 | 593.1523; 285.0383; 284.0305; 255.0278; 229.0497; 227.0326 |
| 16 | 8.187 | Kaempferol hexuronide | C21H18O12 | 461.0738 | 461.0725 | 2.7 | 13 | 461.0757; 285.0406; 257.0452; 229.0503 |
| 17 | 8.722 | Isorhamnetin rutinoside | C28H32O16 | 623.1620 | 623.1618 | 0.4 | 13 | 623.1643; 315.0492; 314.0421; 300.0258; 271.0233 |
| 18 | 9.305 | Isorhamnetin hexuronide | C22H20O13 | 491.0845 | 491.0831 | 2.8 | 13 | 491.0834; 315.0482; 301.0333; 300.0250; 271.0221; 255.0271; 243.0271 |