Table 2.
UPLC-QTOF-based mass spectra showing the fragmentation patterns of H. tuberosus.
| RT (min) |
Tentative Identification |
Formula |
m/z [M-H]- |
Mass Error (ppm) |
Response | Fragmentation (m/z) | Reference |
|---|---|---|---|---|---|---|---|
| 0.79 | Sucrose | C12H22O11 | 341.1095 | 1.9 | 3592134 | 179.0563 | [47] |
| 1.04 | Fructosylnystose | C30H52O26 | 827.2669 | −0.3 | 2910 | 179.0560, 341.1090, 503.1615, 665.2151 | [47] |
| 1.07 | Salicylic acid β-D-glucoside | C13H16O8 | 299.0772 | −0.1 | 315 | 137.0246, 180.0653 | [48] |
| 1.30 | Phenylalanine | C9H11NO2 | 164.0717 | −0.3 | 15377 | 147.0454 | [49] |
| 1.30 | Cinnamic acid | C9H8O2 | 147.0457 | 3.5 | 2185 | - | [50] |
| 1.50 | Neochlorogenic acid | C16H18O9 | 353.0879 | 0.2 | 4678 | 179.0345, 191.0557 | [48] |
| 1.75 | Tryptophan | C11H12N2O2 | 203.0823 | −1.5 | 4696 | 116.0516 | [51] |
| 1.91 | Chlorogenic acid | C16H18O9 | 353.0876 | −0.7 | 45770 | 135.0454, 179.0348, 191.0557 | [48] |
| 2.37 | Caffeic acid | C9H8O4 | 179.0347 | −0.3 | 2330 | 135.0457 | [50] |
| 2.54 | 4-O-(4-Coumaroyl)quinic acid | C16H18O8 | 337.0920 | −2.6 | 187 | 191.0561 | [48] |
| 2.86 | Feruloylquinic acid | C17H20O9 | 367.1028 | −1.9 | 5135 | 134.0378, 173.0455, 191.0558, 193.0506 | [48] |
| 3.91 | Dicaffeoylquinic acid isomer 1 | C25H24O12 | 515.1196 | 0.3 | 9330 | 135.0460, 173.0455, 179.0349, 191.0557, 353.0873 | [48] |
| 3.91 | Salvianolic acid derivative isomer 1 | C27H22O12 | 537.1017 | −4.1 | 1294 | 135.0457, 161.0245, 201.0171, 375.0706 | [49] |
| 4.06 | Dicaffeoylquinic acid isomer 2 | C25H24O12 | 515.1196 | 0.2 | 94316 | 135.0457, 173.0456, 179.0348, 191.0560, 353.0878 | [49] |
| 4.06 | Cryptochlorogenic Acid | C16H18O9 | 353.0878 | −0.1 | 11708 | 135.0457, 173.0456, 179.0348, 191.0560 | [49] |
| 4.06 | Salvianolic acid derivative isomer 2 | C27H22O12 | 537.1016 | −4.1 | 19809 | 135.0457, 161.0245, 179.0348, 201.0168, 375.0698 | [49] |
| 4.41 | Dicaffeoylquinic acid isomer 3 | C25H24O12 | 515.1188 | −1.3 | 25919 | 135.0457, 173.0455, 179.0347, 191.0560, 353.0879 | [48] |
| 4.41 | Salvianolic acid derivative isomer 3 | C27H22O12 | 537.1014 | −4.6 | 3150 | 135.0457, 161.0245, 179.0347, 201.0172, 375.0695 | [49] |
| 7.11 | Unknown | C41H56O7 | 659.3939 | −2.1 | 207461 | 599.3732 | - |
| 7.60 | Unknown | C13H25NO3 | 242.1760 | −0.5 | 83368 | 224.1656 | - |
| 8.03 | Pinellic acid | C18H34O5 | 329.2335 | 0.4 | 167137 | 171.1028, 211.1336, 229.1440 | [52] |