Table 4.
Peak | Component name | Formula | Observed RT (min) | Observed m/z | Fragment ions (m/z) (±) | Mass error (ppm) | Origin |
---|---|---|---|---|---|---|---|
1 | Salsolinol | C10H13NO2 | 7.22 | [M+H]+:180.1026 | 146.06105 | 3.6 | A |
2 | Paeoniflorin* | C23H28O11 | 8.39 | [M+HCOO]−:525.1578 | / | −6.8 | BC |
3 | Dimethyl D-malate | C6H10O5 | 11.41 | [M+H]+:163.0597 | 133.01354 | −2.4 | B |
4 | letestuianin B | C21H22O6 | 13.86 | [M+H]+:371.1515 | 217.08122 | 6.9 | C |
5 | 1-(4-Hydroxy-3-methoxyphenyl)-3-oxo-5-decanesulfonic acid | C17H26O6S | 14.86 | [M+H]+:359.1542 | 203.10301,217.08327 | 5.4 | C |
6 | (1a,3a,6a,14a,15a,16b)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol 8-Acetate 14-(4-Methoxybenzoate) | C35H49NO12 | 17.65 | [M+Na]+:698.3217 | 375.14910,458.18640, 517.27153,588.30833 | 10 | A |
7 | 24-methylenecycloartanol | C31H52O | 17.71 | [M+H]+:441.4101 | 175.11843 | 2.3 | C |
8 | Aconitine | C34H47NO11 | 19.69 | [M+Na]+:341.1 | 173.12716,201.12205,479.21224 | 0.1 | A |
9 | Acetylaconitine | C36H49NO12 | 21.32 | [M+Na]+:710.3082 | 175.1174,301.11698, 517.30894,588.30894 | −9.2 | A |
10 | (6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione | C18H16O5 | 24.11 | [M+HCOO]−:357.0952 | 225.12635 | −7.7 | B |
11 | Adenosine | C10H13N5O4 | 33.04 | [M+H]+:268.1039 | 165.06844 | −0.6 | B |
12 | 20-Ethyl-8-hydroxy-1,16-dimethoxy-4-(methoxymethyl)aconitan-14-yl acetate | C26H41NO6 | 33.73 | [M+H]+:464.2993 | 209.1264,335.23656,353.25368 | −2.9 | A |
13 | Ginsenoside Rb1* | C54H92O23 | 37.63 | [M+HCOO]−:1153.5997 | / | −1.2 | BC |
14 | Ginsenoside Rb3 | C54H92O23 | 37.66 | [M+HCOO]−:1153.5997 | 783.48919,945.54043 | −0.2 | B |
15 | TanshinoneIIB | C19H18O4 | 41.28 | [M+H]+:311.1251 | 199.07924,213.09088 | −8.6 | B |
16 | 3-Hydroxy-2-isopropyl-8-methyl-1,4-phenanthrenedione | C18H16O3 | 44.65 | [M+HCOO]−:325.1068 | 265.08506 | −4.3 | A |
17 | (1α,5ξ,6β,9ξ,10ξ,13ξ,14α,16β,17ξ)-20-Ethyl-14,16-dimethoxy-4-(methoxymethyl)aconitane-1,6,7,8-tetrol | C24H9NO7 | 48.58 | [M+Na]+:476.2603 | 119.08554 | −3.3 | A |
18 | (1R,4aR,7R,8aR)-7-(2-Hydroxy-2-propanyl)-1,4a-dimethyldecahydro-1-naphthalenol | C15H28O2 | 51.63 | [M+Na]+:263.1989 | 95.08448 | 3 | C |
19 | Poricoic acid E | C30H44O6 | 55.11 | [M-H]−:499.3033 | 301.21485 | −6.5 | B |
20 | (16β,17ξ)-20-Ethyl-8,13-dihydroxy-1,16-dimethoxyaconitan-14-yl benzoate | C29H39NO6 | 56.71 | [M+Na]+:520.2662 | 184.07261,319.19338 | −1.5 | A |
21 | Ginsenoside Rs1 | C55H92O23 | 57.27 | [M+Na]+:1143.591 | 184.06991,520.33039,544.32997 | −1 | A |
22 | Miltrione | C19H22O2 | 57.96 | [M+Na]+:305.1516 | 155.00831 | 1.4 | B |
23 | Ginsenoside Rk2 | C36H60O7 | 58.55 | [M+H]+:605.4366 | 105.06872,337.26457,426.35458 | −7.5 | A |
24 | (16β)-3,13,15-Trihydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate | C31H57NO10 | 60.97 | [M+Na]+:626.2949 | 104.10528,184.06999 | 2.1 | A |
25 | 3-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS)- | C20H30O | 63.12 | [M+H]+:287.2375 | 95.08582,121.10144 | 1.9 | B |
26 | Lecithin | C42H81NO8P+ | 64.78 | [M+H]+:758.5661 | 104.10657,187.01850,362.18849 | −4.3 | C |
27 | Ginsenoside Rk3 | C36H60O8 | 65.12 | [M+HCOO]−:665.4253 | 281.24682 | −2.6 | ABC |
28 | 2-Methyl-5-[(2R)-6-methyl-5-hepten-2-yl]phenol | C15H22O | 65.28 | [M+Na]+:241.1546 | 95.08448 | −6.8 | C |
29 | kaempferol 3,7-di-O-β-D-glucoside | C27H29O16 | 66.17 | [M+HCOO]−:655.1566 | 223.02565 | −6.3 | B |
30 | 1,2,3,4,6-Pentagalloyl glucose | C41H32O26 | 66.3 | [M+Na]+:963.1134 | 355.0616 | 6.2 | C |
*Contrast with reference solution.
A, Monarch medicine; B, Minister medicine; C, Assist medicine.