Table 3.
Metabolites identified from the Moutan cortex radicis.
| Peak no. | Assigned identity | RT/min | Mass | Molecular formula | m/z | Error | Match score | Hits |
|---|---|---|---|---|---|---|---|---|
| 1 | Gluconic acid | 1.189 | 196.059 | C6H12O7 | 195.051 | −0.3 | 99.5 | 1 |
| 2 | Cordycepic acid | 1.206 | 192.064 | C7H12O6 | 191.057 | −0.41 | 86.25 | 3 |
| 3 | Inositol-b | 1.207 | 180.064 | C6H12O6 | 215.033 | −0.79 | 96.05 | 10 |
| 4 | L-Galactoheptulose | 1.209 | 210.075 | C7H14O7 | 209.067 | −0.78 | 83.59 | 4 |
| 5 | Purine | 1.212 | 120.043 | C5H4N4 | 119.036 | 0.28 | 94.95 | 2 |
| 6 | beta-Hydroxy-alpha-methylene-gamma-butyllactone | 1.221 | 114.033 | C5H6O3 | 113.025 | −1.07 | 79.81 | 1 |
| 7 | Rhodojaponia IV | 1.23 | 454.256 | C24H38O8 | 533.174 | 0.99 | 60.11 | 4 |
| 8 | Ribose | 1.236 | 150.054 | C5H10O5 | 149.047 | −1.17 | 92.2 | 4 |
| 9 | Hexahydroxytaxadiene | 1.245 | 368.219 | C20H32O6 | 447.138 | 0.9 | 64.53 | 2 |
| 10 | 3,6-Anhydrogalactose | 1.245 | 162.054 | C6H10O5 | 161.047 | −0.9 | 82.59 | 2 |
| 11 | Andromedotoxin | 1.249 | 412.245 | C22H36O7 | 491.163 | 1.54 | 62.34 | 1 |
| 12 | Manninotriose | 1.253 | 504.171 | C18H32O16 | 503.163 | −1.56 | 94.79 | 9 |
| 13 | Sarmentosin epoxide | 1.255 | 291.096 | C11H17NO8 | 290.089 | −1 | 91.71 | 1 |
| 14 | Tuliposide B | 1.263 | 294.0979 | C11H18O9 | 293.090 | −2.81 | 60.17 | 1 |
| 15 | 5-O-Methylembelin | 1.265 | 308.197 | C18H28O4 | 387.115 | 2.03 | 56.75 | 1 |
| 16 | Cellobiose | 1.268 | 342.118 | C12H22O11 | 341.110 | −1.29 | 94.73 | 10 |
| 17 | Allithiamine | 1.29 | 354.118 | C15H22N4O2 S2 | 353.110 | 0.73 | 82.47 | 1 |
| 18 | Picrasinoside D | 1.29 | 556.287 | C28H44O11 | 635.206 | 1.76 | 65.38 | 1 |
| 19 | Fumaric acid | 1.318 | 116.012 | C4H4O4 | 115.005 | −1.16 | 85.31 | 1 |
| 20 | Malic acid | 1.32 | 134.022 | C4H6O5 | 133.015 | −0.67 | 84.67 | 1 |
| 21 | Beta-D-Xylopyranosyl-(1–>6)-alpha-D-glucopyranosyl-(1–>6)-beta-D- glucopyranoside | 1.334 | 474.159 | C17H30O15 | 509.128 | −0.11 | 96.33 | 3 |
| 22 | Cepharanoline | 1.346 | 592.263 | C36H36N2O6 | 671.182 | −5.36 | 40.99 | 3 |
| 23 | Carmichaeline | 1.355 | 377.254 | C22H35N O4 | 456.173 | 2.34 | 52.84 | 3 |
| 24 | Gamma-Amino-alpha-methylene butyric acid | 1.369 | 115.064 | C5H9NO2 | 4.057 | −0.61 | 74.02 | 3 |
| 25 | 5alpha-Acetoxy-1 beta-benzoyl-8alpha-cinnamoyl-4alpha-hydroxy- dihydroagarofuran | 1.42 | 562.252 | C33H38O8 | 641.171 | 4.91 | 42.88 | 3 |
| 26 | Linustatin | 1.432 | 409.158 | C16H27NO11 | 408.151 | 0.46 | 96.87 | 1 |
| 27 | Heteratisine | 1.447 | 391.232 | C22H33NO5 | 470.151 | 3.55 | 42.43 | 1 |
| 28 | Pyroglutamic acid | 1.454 | 129.042 | C5H7NO3 | 128.035 | 0.48 | 88.59 | 1 |
| 29 | 8-epi-Grandifloric acid | 1.71 | 346.126 | C15H22O9 | 345.119 | 0.05 | 84.05 | 4 |
| 30 | Loganic acid | 1.711 | 376.137 | C16H24O10 | 411.106 | −0.07 | 99.35 | 7 |
| 31 | Yopaaoside C | 1.712 | 422.142 | C17H26O12 | 421.135 | 0 | 99.51 | 4 |
| 32 | L-Arginine | 2.145 | 174.111 | C6H14N4O2 | 493.120 | 1.1 | 81.94 | 1 |
| 33 | Usambarensine | 2.232 | 432.229 | C29H28N4 | 467.199 | 1.99 | 58.79 | 1 |
| 34 | Ipolamiide | 2.753 | 406.148 | C17H26O11 | 405.140 | −0.1 | 99.06 | 6 |
| 35 | Maltol | 2.766 | 126.031 | C6H6O3 | 125.024 | 0.41 | 97.82 | 6 |
| 36 | Gallic acid | 2.769 | 170.021 | C7H6O5 | 169.014 | 0.73 | 97.02 | 1 |
| 37 | 6-O-Galloyl-glucose | 2.826 | 332.074 | C13H16O10 | 371.067 | 0.03 | 99.85 | 3 |
| 38 | Armillaripin | 3.01 | 414.202 | C24H30O6 | 493.120 | 2.57 | 54 | 3 |
| 39 | Loganin | 4.577 | 390.151 | C17H26O10 | 389.143 | 2.07 | 89.34 | 9 |
| 40 | 3-Methoxygallic acid | 5.872 | 184.037 | C8H8O5 | 189.030 | 0.34 | 99.31 | 2 |
| 41 | Ampelopsisin | 5.879 | 496.158 | C23H28O12 | 495.151 | −0.36 | 98.93 | 3 |
| 42 | Epicatechin | 6.028 | 290.079 | C15H14O6 | 289.071 | 0.41 | 99.16 | 9 |
| 43 | p-Hydroxybenzoic acid | 6.064 | 138.032 | C7H6O3 | 137.024 | 0.02 | 99.89 | 6 |
| 44 | Inumakilactone A glucoside | 6.412 | 526.168 | C24H30O13 | 525.161 | 0.7 | 98.87 | 1 |
| 45 | Paeonolide | 6.478 | 460.158 | C20H28012 | 459.150 | −0.13 | 98.76 | 3 |
| 46 | Cistanoside H | 6.769 | 506.164 | C21 H30O14 | 505.156 | −0.05 | 98.13 | 1 |
| 47 | 2,4-Dimethoxybenzaldehyde | 7.22 | 166.063 | C9H10O3 | 165.055 | −0.09 | 98.24 | 8 |
| 48 | Albiflorin R1 | 7.988 | 480.1633 | C23H28O11 | 515.133 | −0.13 | 98.2 | 3 |
| 49 | Melampyroside | 7.988 | 450.153 | C22H26O10 | 449.146 | −0.2 | 99.49 | 4 |
| 50 | Secologanoside | 8.918 | 556.178 | C25H32O14 | 555.171 | 0.94 | 97.64 | 1 |
| 51 | Inumakilactone A glucoside | 9.628 | 526.168 | C24H30O13 | 525.161 | 0.23 | 98.3 | 1 |
| 52 | 3,5,4'-Trihydroxystilene-4'-glucoside | 10.04 | 390.132 | C20H22O8 | 469.051 | −0.18 | 47.53 | 10 |
| 53 | N-Methyl lycodine | 10.176 | 256.194 | C17H24N2 | 335.113 | −0.26 | 66.27 | 1 |
| 54 | Benzoyl-oxypaeoniflorin | 12.984 | 600.185 | C30H32O13 | 599.177 | −0.23 | 99.3 | 1 |
| 55 | 7-O-Methylaloeresin A | 14.996 | 554.179 | C29H30O11 | 553.171 | 0.24 | 99.65 | 3 |
| 56 | Zizybeoside II | 14.996 | 594.219 | C25H38O16 | 629.188 | −2.88 | 53.85 | 1 |
| 57 | Benzoylpaeoniflorin | 14.997 | 584.190 | C30H32O12 | 619.159 | −0.22 | 99.39 | 1 |
| 58 | Hydroxymangiferonic acid | 24.056 | 456.324 | C29H44O4 | 455.317 | −0.04 | 99.49 | 4 |
| 59 | Queretaroic acid | 25.172 | 472.352 | C30H48O4 | 471.344 | 3.71 | 76.76 | 10 |
| 60 | 3-Epioleanolic acid | 27.626 | 456.360 | C30H48O3 | 455.353 | −0.01 | 99.82 | 10 |
| 61 | Chlorogenin | 28.796 | 432.324 | C27H44O4 | 431.317 | −0.08 | 99.64 | 10 |