No. | Component name | Formula | Neutral mass (Da) | Observed neutral mass (Da) | Mass error (ppm) | Mass error (mDa) | Observed RT (min) | Isotope Match Intensity RMS Percent |
---|---|---|---|---|---|---|---|---|
1 | Trifloroside | C35H42O20 | 782.22694 | 782.228 | 1.4 | 1.1 | 0.67 | 1400.16 |
2 | Nevadensin-7-O-[α-L-rhamnosyl(1 → 6)]-β-D-glucoside | C30H36O16 | 652.20034 | 652.203 | 4.1 | 2.7 | 0.55 | 657.32 |
3 | Grosvenorine | C33H40O19 | 740.21638 | 740.22 | 4.8 | 3.6 | 0.53 | 609.62 |
4 | 6′-O-Benzoyl-4″-hydroxy-3″-methoxypaeoniflorin | C31H34O14 | 630.19486 | 630.1947 | −0.3 | − 0.2 | 0.65 | 447.06 |
5 | Sibiricaxanthone A | C24H26O14 | 538.13226 | 538.1307 | −2.9 | −1.6 | 0.45 | 254.81 |
6 | (2R,3R)-Taxifolin7-O-α-L-rhamnopyranosyl-(1 → 6)-β-D-glucopyranoside | C27H32O16 | 612.16903 | 612.1671 | −3.2 | −2 | 1.01 | 207.66 |
7 | Spinosin | C28H32O15 | 608.17412 | 608.1761 | 3.3 | 2 | 0.63 | 187.22 |
8 | Acacetin-7-O-(6″-O-acetyl)-β-D-glucopyranoside | C24H24O11 | 488.13186 | 488.1339 | 4.2 | 2.1 | 0.58 | 180.44 |
9 | 5,7,2′-Trihydroxy-flavanone-4′-O-β-D-glucoside | C21H22O11 | 450.11621 | 450.1146 | −3.7 | −1.7 | 1.58 | 177.32 |
10 | 5,7,2′-Trihydroxy-flavanone-4′-O-β-D-glucoside | C21H22O11 | 450.11621 | 450.1147 | −3.5 | −1.6 | 1.32 | 139.7 |
11 | Shanciol B | C25H26O6 | 422.17294 | 422.1711 | −4.3 | −1.8 | 6.13 | 122.37 |
12 | Iridin | C24H26O13 | 522.13734 | 522.1347 | −5 | −2.6 | 2.61 | 118.45 |
13 | Helonioside B | C34H40O18 | 736.22146 | 736.2196 | −2.5 | −1.9 | 2.86 | 103.45 |
14 | 2,3,5,4′-Tetrahydroxystilbene-2,3-O-β-D-glucopyranoside | C26H32O14 | 568.17921 | 568.1766 | −4.6 | −2.6 | 1.62 | 95.29 |
15 | 2,3,5,4′-Tetrahydroxystilbene-2,3-O-β-D-glucopyranoside | C26H32O14 | 568.17921 | 568.1779 | −2.3 | −1.3 | 1.75 | 93.24 |
16 | Erigoster A | C27H26O13 | 558.13734 | 558.1352 | −3.9 | −2.2 | 5.26 | 83.91 |
17 | Helonioside B | C34H40O18 | 736.22146 | 736.2186 | −4 | −2.9 | 2.23 | 83.6 |
18 | Ginsenoside Ra1 | C58H98O26 | 1210.63463 | 1210.6386 | 3.3 | 4 | 0.34 | 82.61 |
19 | Asperuloside tetraacetate | C26H30O15 | 582.15847 | 582.156 | −4.3 | −2.5 | 1.44 | 81.49 |
20 | Nortracheloside | C26H32O12 | 536.18938 | 536.1896 | 0.5 | 0.2 | 5.66 | 81.42 |