Table 2 Elemental composition of major fragments in the MS spectra
Peak | RT (min) | Compounds | Formula | Calculated (m/z) | Observed (m/z) | Error (mDa) |
|---|---|---|---|---|---|---|
1 | 4.9 | Dracorhodin | C17H15O3 | 267.1016 | 267.1083 | 6.7 |
C16H12O3 | 252.0781 | 252.0814 | 3.3 | |||
2 | 8.9 | 4,6-Dihydroxy-2-methoxy- 3-methyldihydrochalcone | C17H18O4Na | 309.1097 | 309.1098 | 0.1 |
C17H19O4 | 287.1278 | 287.1274 | −0.4 | |||
C17H17O3 | 269.1172 | 269.1186 | 1.4 | |||
C9H11O3 | 167.0703 | 167.0779 | 7.6 | |||
3 | 9.4 | 4,6-Dihydroxy-2-methoxy- 3-methylchalcone | C17H16O4Na | 307.0941 | 307.0940 | −0.1 |
C17H17O4 | 285.1121 | 285.1133 | 1.2 | |||
C17H15O3 | 267.1016 | 267.1051 | 3.5 | |||
C7H5O | 105.0335 | 105.0385 | 5.0 | |||
4 | 10.1 | (2S)-5,7-Dihydroxy- dihydroflavone | C15H12O4Na | 279.0628 | 279.0630 | 0.2 |
C15H13O4 | 257.0808 | 257.0838 | 3.0 | |||
C7H5O4 | 153.0182 | 153.0242 | 6.0 | |||
5 | 12.8 | (2S)-5-Methoxyflavan-7-ol | C16H16O3Na | 279.0992 | 279.1017 | 2.5 |
C16H17O3 | 257.1172 | 257.1188 | 1.6 | |||
C8H9O3 | 153.0546 | 153.0616 | 7.0 | |||
6 | 13.4 | (2S)-5-Methoxy-6-methyl- flavan-7-ol | C17H18O3Na | 293.1148 | 293.1152 | 0.4 |
C17H19O3 | 271.1329 | 271.1341 | 1.2 | |||
C9H11O3 | 167.0703 | 167.0782 | 7.9 |