| No. | tR/min | [M–H]– (m/z) | Exptl. exact mass | Fragment ions (m/z) | Error (ppm) | Molecular formula | Identification |
| 1 | 4.281 | [M-H]- | 353.0877 | 191.0559, 179.0343 | 0.53 | C16H18O9 | 3-O-Caffeoylquinic acid | 2 | 15.983 | [M-H]- | 353.0875 | 191.0557 | −2.57 | C16H18O9 | 5-O-Caffeoylquinic acid | 3 | 19.586 | [M-H]- | 335.0773 | 179.0346, 161.0242, 135.0446, 317.0667 | 0.82 | C16H18O9 | 4-O-Caffeoylshikimic acid | 4 | 19.754 | [M-H]- | 353.0877 | 173.0453, 179.0345, 191.0558 | 0.45 | C16H18O9 | cis−4-O-Caffeoylquinic acid | 5 | 19.987 | [M-H]- | 367.1026 | 161.0244, 135.0452 | 2.37 | C17H20O9 | Methyl-4-O-caffeoylquinate | 6 | 21.271 | [M-H]- | 404.3684 | 371.0243, 179.0455 | −2.15 | C17H24O11 | Secoxyloganin | 7 | 21.623 | [M-H]- | 335.0775 | 179.0344, 135.0451 | 1.85 | C16H16O8 | 3-O-Caffeoylshikimic acid | 8 | 23.290 | [M-H]- | 367.1026 | 179.0345, 135.0452, 191.0559, 161.0243 | 0.64 | C17H20O9 | Methyl-5-O-caffeoylquinate | 9 | 27.345 | [M-H]- | 381.1084 | 161.0243, 135.0452 | −2.35 | C18H22O9 | Ethyl-4-O-caffeoylquinate | 10 | 30.296 | [M-H]- | 381.1081 | 179.0343, 135.0454, 191.0558, 161.0245 | −2.17 | C18H22O9 | Ethyl-5-O-caffeoylquinate | 11 | 33.269 | [M-H]- | 515.1193 | 353.0876, 173.0453, 179.03445, 191.0559 | −0.82 | C25H23O12 | 3,4-di-O-Caffeoylquinic acid | 12 | 35.504 | [M-H]- | 515.1196 | 353.0876, 191.0558, 179.0345 | 0.69 | C25H23O12 | 3,5-di-O-Caffeoylquinic acid | 13 | 37.875 | [M-H]- | 515.1195 | 353.0874, 173.0452, 179.0345, 191.0559 | −3.12 | C25H23O12 | 4,5-di-O-Caffeoylquinic acid | 14 | 42.663 | [M-H]- | 515.1197 | 353.0876, 173.0453, 191.0562, 179.0347 | −2.53 | C25H23O12 | 1,4-di-O-Caffeoylquinic acid | 15 | 43.397 | [M-H]- | 677.1592 | 515.1193, 353.0876 | −0.49 | C34H30O15 | 3,4,5-tri-O-Caffeoylquinic acid |
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