Table 1 Peak assignments for the analysis of SCBPE
Peak No. | tR (min) | Identification | (+) ESI-MS m/z | (−) ESI-MS m/z | DBE | Formula | ||
|---|---|---|---|---|---|---|---|---|
Observed | Calculated (Δppm) | Observed | Calculated (Δppm) | |||||
1 | 1.239 | Gluconic acid | 195.05159 | 195.05103 (−2.89) | 1 | C6H12O7 | ||
2 | 1.355 | Sucrose a | [M + Na]+ 365.10556 | 365.10543 (0.36) | 341.11044 | 341.10894 (−4.41) | 2 | C12H22O11 |
3 | 2.003 | Uridine a | [M + Na]+ 267.05951 | 267.05876 (2.81) | 243.06264 | 243.06226 (−1.56) | 5 | C9H12N2O6 |
4 | 2.570 | Adenosine a | 268.10476 | 268.10403 (2.71) | 266.08973 | 266.08948 (−0.94) | 7 | C10H13N5O4 |
5 | 3.130 | Guanosine a | 284.10797 | 284.11018 (−7.78) | 282.08436 | 282.08439 (0.11) | 7 | C10H13N5O5 |
6 | 12.366 | Caffeoyl-feruloylquinic acid or caffeoyl-isoferuloylquinic acid nitrogen-containing derivative | 706.29816 | 706.29704 (1.60) | 704.28380 | 704.28249 (1.86) | 18 | C37H43N3O11 |
7 | 12.714 | Caffeoyl-feruloylquinic acid or caffeoyl-isoferuloylquinic acid nitrogen-containing derivative | 706.29697 | 706.29704 (−0.09) | 704.28298 | 704.28249 (0.70) | 18 | C37H43N3O11 |
8 | 12.797 | Caffeoyl-3′-methoxycinnamylquinic acid or caffeoyl-4′-methoxycinnamylquinic acid nitrogen-containing derivative | 690.30371 | 690.30212 (2.30) | 688.28736 | 688.28757 (−0.31) | 18 | C37H43N3O10 |
9 | 12.979 | Caffeoyl-feruloylquinic acid or caffeoyl-isoferuloylquinic acid nitrogen-containing derivative | 706.29629 | 706.29704 (−1.06) | 704.28123 | 704.28249 (−1.79) | 18 | C37H43N3O11 |
10 | 13.079 | Caffeoyl-3′-methoxycinnamylquinic acid or caffeoyl-4′-methoxycinnamylquinic acid nitrogen-containing derivative | 690.29517 | 690.30212 (−10.07) | 688.28813 | 688.28757 (0.81) | 18 | C37H43N3O10 |
11 | 13.178 | p (or m)-Coumaroyl-3′-methoxycinnamylquinic acid or p (or m)-coumaroyl-4′-methoxycinnamylquinic acid nitrogen-containing derivative | 674.30984 | 674.30721 (3.90) | 672.29420 | 672.29266 (2.29) | 18 | C37H43N3O9 |
12 | 13.277 | Caffeoyl-3′-methoxycinnamylquinic acid or caffeoyl-4′-methoxycinnamylquinic acid nitrogen-containing derivative | 690.30160 | 690.30212 (−0.75) | 688.28800 | 688.28757 (0.63) | 18 | C37H43N3O10 |
13 | 13.244 | p (or m)-Coumaroyl-3′-methoxycinnamylquinic acid or p (or m)-coumaroyl-4′-methoxycinnamylquinic acid nitrogen-containing derivative | 674.30817 | 674.30721 (1.42) | 672.29314 | 672.29266 (0.71) | 18 | C37H43N3O9 |
14 | 13.526 | p (or m)-Coumaroyl-3′-methoxycinnamylquinic acid or p (or m)-coumaroyl-4′-methoxycinnamylquinic acid nitrogen-containing derivative | 674.30941 | 674.30721 (3.26) | 672.29376 | 672.29266 (1.64) | 18 | C37H43N3O9 |