Skip to main content

Advertisement

Table 2 Chemical characterization of medicinal material sample of RGyuncj by UPLC-Q/TOF–MS

From: Tissue-specific chemical profiling and quantitative analysis of bioactive components of Cinnamomum cassia by combining laser-microdissection with UPLC-Q/TOF–MS

Peak no. Identification tR (min) Molecular formular Measured mass (m/z) Theoretical mass (m/z) Mass accuracy (ppm) Ion type MS/MS (m/z)
1 Fructosea 0.71 C6H12O6 203.0522 203.0532  − 4.92 [M + Na]+ 185[M+Na-H2O]+, 157[M+Na-CH2O2]+, 136[M+H-CHO2]+
2 Sucrosea 0.71 C12H22O11 365.1048 365.1060  − 3.29 [M + Na]+ 351[M+Na-CH2]+, 203[M+Na-C6H10O5]+
3 (+)-Catechina 3.33 C15H14O6 291.0856 291.0863  − 2.40 [M + H]+ 185[M+H-C3H6O4]+, 123[M+H-C12H8O]+
4 Procyanidin B1 or B2a 3.34 C30H26O12 579.1484 579.1497  − 2.24 [M + H]+ 409[M+H-C8H10O4]+, 309[M+H-C9H18O9]+, 123[M+H-C27H19O7]+
5 B-type procyanidin trimera 3.92 C45H38O18 867.2116 867.2131  − 1.73 [M + H]+ 579[M+H-C13H20O7]+, 439[M+H-C16H28O13]+, 377[M+H-C17H30O16]+, 344[M+H-C18H35O17]+, 123[M+H-C42H31O13]+
6 Procyanidin B1 or B2a 3.92 C30H26O12 579.1487 579.1497  − 1.73 [M + H]+ 439[M+H-C7H8O3]+, 344[M+H-C7H13O8]+, 289[M+H-C12H18O8]+ 123[M+H-C27H19O7]+
7 B-type procyanidin tetramera 4.10 C60H50O24 1155.2741 1155.2765  − 2.08 [M + H]+ 867[M+H-C8H18O9]+, 579[M+H-C22H40O17]+, 483[M+H-C45H20O7]+, 351[M+H-C46H28O14]+, 171[M+H-C52H40O20]+
8 Cinnzeylanola 4.67 C20H32O7 407.2037 407.2046  − 2.21 [M + Na]+ 349[M+H-C2H2O2]+, 331[M+H-C6H4]+, 123[M+H-C17H25O2]+
9 Cinnacasside Ea 5.20 C25H38O11 537.2297 537.2312  − 2.79 [M + Na]+ 303[M+H-C9H14O7]+, 123[M+H-C22H31O6]+
10 Guiacola 6.23 C7H8O2 147.0438 147.0422 10.88 [M + Na]+ 118[M+Na-CHO]+, 103[M+Na-C2H4O]+
11 Coumarinb 6.23 C9H6O2 147.0438 147.0440  − 1.36 [M + H]+ 103[M+H–CO2]+, 91[M+H-C3H4O]+, 77[M+H-C3H2O2]+ 65[M+H-C4H2O2]+
12 2-Hydroxycinnamaldehydea 6.40 C9H8O2 149.0592 149.0597  − 3.35 [M + H]+ 131[M+H-H2O]+, 121[M+H-CO]+, 103[M+H-CH2O2]+ 93[M+H-C3H4O]+, 91[M+H-C2H2O2]+, 77[M+H-C3H4O2]+ 65[M+H-C4H4O2]+, 55[M+H-C5H2O2]+
13 Cinnamic acidb 7.79 C9H8O2 149.0595 149.0597  − 1.34 [M + H]+ 131[M+H-H2O]+, 123[M+H-C2H2]+, 103[M+H-CH2O2]+
14 (E)-Cinnamaldehydeb 8.28 C9H8O 133.0647 133.0648  − 0.75 [M + H]+ 115[M+H-H2O]+, 105[M+H-CO]+, 103[M+H-CH2O]+ 91[M+H-C2H2O]+, 79[M+H-C3H2O]+, 77[M+H-C3H4O]+ 55[M+H-C6H6]+
15 Cinnamyl alcoholb 9.39 C9H10O 135.0802 135.0804  − 1.48 [M + H]+ 117[M+H-H2O]+, 91[M+H-C2H4O]+, 55[M+H-C6H8]+
16 2-Methoxycinnamaldehydeb 9.39 C10H10O2 163.0750 163.0754  − 2.45 [M + H]+ 145[M+H-H2O]+, 135[M+H-CO]+, 115[M+H-CH5O2]+ 107[M+H-C3H4O]+, 105[M+H-C2H2O2]+, 91[M+H-C3H4O2]+ 79[M+H-C4H4O2]+, 77[M+H-C4H6O2]+, 57[M+H-C7H6O]+ 55[M+H-C7H8O]+
17 Unknown 13.00 C15H24O2 237.1829 237.1849  − 8.43 [M + H]+ 71[M+H-C10H13O2]+, 81[M+H-C11H8O]+, 89[M+H-C10H12O]+ 93[M+H-C10H8O]+, 105[M+H-C9H8O]+, 149[M + H-C4H8O2]+ 219[M+H-H2O]+
18 Dehydro-sesquiterpene oxidea 16.56 C15H22O 219.1741 219.1743  − 0.91 [M + H]+ 150[M+H-C4H5O]+, 135[M+H-C5H8O]+, 121[M+H-C6H10O]+
19 Dehydro-sesquiterpenea 18.54 C15H22 203.1791 203.1794  − 1.48 [M + H]+ 185[M+Na-C3H5]+, 150[M+H-C4H5]+, 136[M+H-C5H7]+ 123[M+H-C6H8]+, 103[M+H-C7H16]+
  1. aIdentified by previous literature reports
  2. bIdentified by standards