Table 2.
Components of Baizhi on 2D APTES-decorated MCF7/CMC system identified by TOFMS.
| Peak number | Identification | tR (CMC, min) | tR (C18, min) | m/z | Abundance match (%) | Formula | ||
|---|---|---|---|---|---|---|---|---|
|
| ||||||||
| Expected | Detected | Error (ppm) | ||||||
| 1 | Suberosinc/ostholea,c | 1–10 | 12.0 | 245.1172 ([M + H]+) | 245.1172 ([M + H]+) | 0.00 | 85.97 | C15H16O3 |
| 2 | Phellopterinb,c/cnidilinbb,c | 17.5–30 | 11.5 | 301.1071 ([M + H]+) | 301.1072 ([M + H]+) | 0.33 | 99.88 | C17H16O5 |
| 3 | Dibutylphthalateb | 2.5–30 | 11.0 | 279.1591 ([M + H]+) | 279.1592 ([M + H]+) | 0.36 | 99.90 | C16H22O4 |
| 4 | Xanthotoxolc/bergaptolc | 7.5–22.5 | 10.5 | 203.0339 ([M + H]+) | 203.0339 ([M + H]+) | 0.00 | 99.91 | C11H6O4 |
| 5 | Imperatorinc/isoimperationc | 7.5–20 | 10.1 | 271.0965 ([M + H]+) | 271.0966 ([M + H]+) | 0.37 | 99.91 | C16H14O4 |
| 6 | Dahuribirin B | 1–15 | 9.9 | 651.2072 ([M + H]+) | 651.2072 ([M + H]+) | 0.00 | 98.73 | C34H34O13 |
| 7 | Palmitic acida | 1–15 | 9.5 | 257.2475 ([M + H]+) | 257.2490 ([M + H]+) | 1.70 | 98.92 | C16H32O2 |
| 8 | Alloimperatorinc/oxypeucedaninc/isooxypeucedaninc | 2.5–12.5 | 8.8 | 287.0914 ([M + H]+) | 287.0915 ([M + H]+) | 0.35 | 99.89 | C16H14O5 |
| 9 | Xanthotoxinc/bergaptenc/sphondinc | 1–12.5 | 8.2 | 217.0495 ([M + H]+) | 217.0496 ([M + H]+) | 0.46 | 99.96 | C12H8O4 |
| 10 | Isopimpinellina,c/pimpinellinc | 2.5–10 | 7.6 | 247.0601 ([M + H]+) | 247.0602 ([M + H]+) | 0.40 | 99.94 | C13H10O5 |
| 11 | Psoralenc/isopsoralenc | 1–7.5 | 7.3 | 187.0390 ([M + H]+) | 187.0392 ([M + H]+) | 1.07 | 99.92 | C11H6O3 |
| 12 | Marmesinc/smyrindiolc | 1–2.5 | 6.1 | 247.0965 ([M + H]+) | 247.0963 ([M + H]+) | −0.81 | 99.60 | C14H14O4 |
| 13 | Marmesininc/nodakeninc | 1–2.5 | 4.9 | 409.1493 ([M + H]+) | 409.1494 ([M + H]+) | 0.24 | 98.56 | C20H24O9 |
| 14 | Scopoletin | 5–20 | 4.8 | 193.0495 ([M + H]+) | 193.0495 ([M + H]+) | 0.00 | 96.71 | C10H8O4 |
| 15 | Scopolin | 1–5 | 3.9 | 355.1024 ([M + H]+) | 355.1028 ([M + H]+) | 1.13 | 99.10 | C16H18O9 |
| 16 | Umbelliferone | 1–2.5 | 3.4 | 163.0390 ([M + H]+) | 163.039 ([M + H]+) | 0.00 | 99.73 | C9H6O3 |
| 17 | Desmodimine | 7.5–22.5 | 2.3 | 238.1074 ([M + H]+) | 238.1074 ([M + H]+) | 0.00 | 94.99 | C12H15NO4 |
| 18 | Adenosine | 1–2.5 | 1.6 | 268.1040 ([M + H]+) | 268.1044 ([M + H]+) | 1.49 | 98.64 | C10H13N5O4 |
a
Confirmed by authentic standard compounds.
b
Peak that was not completely flushed out by 1st-CMC column within 30 min.
c
Possible isomers that cannot be separated by 2nd-C18 column and TOFMS using m/z.