No. | RT | Name | Molecular formula | Theoretical molecular weight | Measured molecular weight | Fragment ion |
---|---|---|---|---|---|---|
1 | 0.5 | Catalpol | C15H22O10 | 362.33 | [M]-H] + 1 361.11255 | 361.1, 199.1, 169.05 |
2 | 1.16 | Triethanolamine | C6H15NO3 | 149.10515 | [M + H] + 1 150.11241 | 150.11, 132.1, 122.97, 58.07 |
3 | 1.453 | Betaine | C5H11NO2 | 117.0792 | [M + H] + 1 118.08654 | 118.09, 59.07, 58.07 |
4 | 1.488 | D-Raffinose | C18H32O16 | 504.16871 | [M + H] + 1 505.17612 | 527.16, 365.10, 203.05 |
5 | 1.772 | Nicotinic acid | C6H5NO2 | 123.03228 | [M + H] + 1 124.03950 | 124.04, 111.04, 79.05 |
6 | 3.49 | phellodendrine | C20H24NO4 | 341.413 | [M + H] + 1 342.16898 | 342.17, 192.1 |
7 | 4.26 | Sesamol | C7H6O3 | 138.03115 | [M + H] + 1 139.03879 | 109.03, 94.09, 65.04 |
8 | 4.27 | Bis(2-ethylhexyl) phthalate | C24H38O4 | 390.2769 | [M + H] + 1 391.28412 | 391.28, 226.89 |
9 | 4.50 | Coptisine | C19H14NO4 | 337.2 | [M−H2O]+1 320.09085 | 318.09, 292.07 |
10 | 4.62 | Palmatine | C21H22NO4 | 351.86 | [M + H] + 1 352.15326 | 337.02, 322.02, 308.10, 293.11 |
11 | 5.839 | 5-Hydroxymethyl-2-furaldehyde | C6H6O3 | 126.03179 | [M + H] + 1 127.03906 | 127.04, 109.03, 81.08, 57.03 |
12 | 9.47 | 3-Hydroxypicolinic acid | C6H5NO3 | 139.02699 | [M + H] + 1 140.03427 | 140.03, 122.06, 95.09, 79.01 |
13 | 10.337 | Puerarin | C21H20O9 | 416.1103 | [M + H] + 1 417.11785 | 417.12, 399.11, 381.10 |
14 | 10.815 | Berberine | C20H17NO4 | 335.11495 | [M + H] + 1 336.12220 | 336.12, 306.08, 278.08 |
15 | 11.087 | Daidzin | C21H20O9 | 416.11031 | [M + H] + 1 417.11755 | 417.07, 237.05, 199.08, 181.06 |
16 | 11.372 | Cyclo(phenylalanyl-prolyl) | C14H16N2O2 | 244.12105 | [M + H] + 1 245.12827 | 245.13, 172.11 |
17 | 11.683 | Ferulic acid | C10H10O4 | 194.05734 | [M + H] + 1 193.04973 | 193.05, 178.03, 149.06, 134.04, 106.04 |
18 | 12.611 | Senkyunolide H | C12H16O4 | 206.09422 | [M + H] + 1 207.10150 | 207.10, 165.05, 123.04, 95.05 |
19 | 13.918 | Daidzein | C15H10O4 | 254.05759 | [M + H] + 1 253.05025 | 253.05, 235.13, 167.05 |
20 | 14.938 | Curcumin | C21H20O6 | 368.12552 | [M + H] + 1 369.13306 | 369.13, 299.13, 245.08, 177.05 |
21 | 15.041 | Methyl palmitate | C17H34O2 | 287.28234 | [M + H] + 1 287.28230 | 288.29, 270.28, 226.15 |
22 | 16.836 | Sesamin | C20H18O6 | 336.09902 | [M + H] + 1 337.10630 | 336.10, 307.10, 187.07, 135.04, 77.04 |
23 | 17.915 | ( +)-ar-Turmerone | C15H20O | 216.15122 | [M + H] + 1 217.15849 | 217.16, 125.10, 55.05 |
24 | 18.665 | (-)-Caryophyllene oxide | C15H24O | 220.18259 | [M + H] + 1 221.18980 | 221.19, 203.18, 165.13 |
25 | 19.12 | 9-Oxo-10(E),12(E)-octadecadienoic acid | C18H30O3 | 294.21939 | [M + H] + 1 295.22644 | 295.2, 241.19, 179.14, 151.11 |
26 | 19.27 | α-Eleostearic acid | C18H30O2 | 278.22444 | [M + H] + 1 279.23160 | 279.23, 261.22, 57.07 |
27 | 19.645 | 18-β-Glycyrrhetinic acid | C30H46O4 | 470.33923 | [M + H] + 1 471.34674 | 471.35, 453.34, 425.34, 407.33 |
28 | 20.327 | 9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester | C19H32O2 | 292.23989 | [M + H] + 1 293.24716 | 293.25, 243.21, 219.21, 55.06 |
29 | 20.418 | Palmitoleic acid | C16H30O2 | 254.22429 | [M + H] + 1 255.23157 | 255.23, 237.22, 195.17, 181.16 |
30 | 20.669 | Palmitelaidic acid methyl ester | C17H32O2 | 268.23989 | [M + H] + 1 269.24716 | 269.25, 135.12, 55.06 |
31 | 21.131 | Palmitoyl ethanolamide | C18H37NO2 | 282.2556 | [M + NH4] + 1 300.28934 | 300.29, 282.28, 239.24 |
32 | 21.137 | 1-Linoleoyl glycerol | C21H38O4 | 354.27647 | [M + H] + 1 355.28375 | 355.28, 337.27, 133.10, 72.09 |
33 | 21.22 | Hexadecanamide | C16H33NO | 255.25567 | [M + H] + 1 256.26294 | 256.26, 130.12, 102.09, 88.08, 57.07 |
34 | 21.424 | 16-Hydroxyhexadecanoic acid | C16H32O3 | 272.23518 | [M + H] + 1 271.22791 | 271.23, 253.22, 225.22 |
35 | 21.482 | Oleoyl ethanolamide | C20H39NO2 | 325.29778 | [M + H] + 1 326.30505 | 326.31, 309.28, 247.24, 151.15 |
36 | 21.566 | Oleamide | C18H35NO | 281.27117 | [M + H] + 1 282.27850 | 282.28, 212.20, 177.16, 114.09 |
37 | 21.871 | Monoolein | C21H40O4 | 356.2922 | [M + H] + 1 357.29947 | 357.30, 339.29, 247.24, 181.16 |
38 | 22.425 | Stearamide | C18H37NO | 283.2871 | [M + H] + 1 284.29430 | 284.29, 144.14, 102.09, 57.07 |
39 | 22.872 | Ricinoleic acid methyl ester | C19H36O3 | 294.25585 | [M + H] + 1 295.26300 | 295.26, 245.23, 147.12, 55.06 |
40 | 23.48 | Stearic acid | C18H36O2 | 284.27147 | [M + H] + 1 283.26419 | 283.26, 270.63, 239.20 |
41 | 23.745 | Erucamide | C22H43NO | 337.33355 | [M + H] + 1 338.34082 | 338.34, 303.30, 212.20, 149.13 |
42 | 25.012 | Docosanamide | C22H45NO | 339.34969 | [M + H] + 1 340.35696 | 340.36, 69.07, 57.07 |
43 | 25.9 | Nervonic acid methyl ester | C25H48O2 | 380.36467 | [M + H] + 1 381.37195 | 381.37, 349.35, 331.33 |
44 | 17.45 | Sesamolin | C20H18O7 | 352.0941 | [M + H] + 1 353.08720 | 353.0872, 149.023, 77.04 |