Table 2.
Peak | tR (min) | Identification | Formula | Positive ion | Negative ion | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Quasimolecular mass (Da) | Observed mass (Da) | Calculated molecular ion | ppm | Quasimolecular mass (Da) | Observed mass (Da) | Calculated molecular ion | ppm | ||||
1 | 9.86 | Longikaurin A | C20H28O5 | [M+Na]+ | 348.1936 | 348.2903 | 0 | — | — | — | — |
2 | 10.8 | Deoxyshikonin | C16H16O4 | [M+H]+ | 273.1119 | 273.1127 | -0.9 | — | — | — | — |
3 | 4.06 | Angeloylgomisin O | C28H34O8 | [M+H]+ | 499.2316 | 499.2332 | — | [M+HCOO]− | 543.2235 | 543.223 | -0.1 |
4 | 8 | Schizandrer B | C28H34O9 | [M+NH4]+ | 515.2274 | 532.2547 | — | — | — | — | — |
5 | 6.16 | Gomisin-A | C23H28O7 | [M+Na]+ | 439.1726 | 439.1733 | — | — | — | — | — |
6 | 9.1 | Wuweizisu C | C22H24O6 | [M+H]+ | 385.1646 | 385.1651 | 0.1 | — | — | — | — |
7 | 5.22 | Marmesin | C14H14O4 | [M+NH4]+ | 264.1218 | 264.1236 | -4.8 | — | — | — | — |
8 | 9.66 | 8-Isopentenyl-kaempferol | C20H18O6 | — | — | — | — | [M-H]− | 353.1043 | 333.1279 | 3.4 |
9 | 8.47 | EUDESMINE | C22H26O6 | [M+H]+ | 387.18 | 387.1808 | -0.5 | — | — | — | — |
10 | 0.6 | Kaempferol | C15H10O6 | [M+NH4]+ | 304.0804 | 304.0821 | -3.8 | — | — | — | — |