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. 2018 Apr 29;2018:3093516. doi: 10.1155/2018/3093516

Table 2.

Identification of the compounds in water extract of Huanglian-Wendan decoction by LC–MS/MS analysis in positive ion mode.

Number Retention time (min) Adduct Extraction mass (Da) Found mass (Da) Error (ppm) Formula Identification Reference
1 4.49 +H 265.15467 265.15442 −0.9 C14H20N2O3 Subaphyllin MassBank ID MSJ00004
2 6.58 + 342.16998 342.1702 0.6 C20H24NO4 Magnoflorine [27]
3 8.69 +H 195.06519 195.06506 −0.7 C10H10O4 Ferulic acid METLIN ID 4156
4 9.04 + 322.10738 322.10716 −0.7 C19H16NO4 Berberrubine METLIN ID 86846
5 9.05 +H 597.1814 597.18134 −0.1 C27H32O15 Eriocitrin METLIN ID 52850
6 9.12 +H 257.08084 257.08056 −1.1 C15H12O4 Liquiritigenin [28]
7 9.42 +H 289.07066 289.07073 0.2 C15H12O6 Eriodictyol METLIN ID 3415
8 9.42 +H 597.1814 597.18134 −0.1 C27H32O15 Neoeriocitrin METLIN ID 52843
9 10.08 + 320.09173 320.09193 0.6 C19H14NO4 Coptisine [27]
10 10.11 +H 581.18648 581.18619 −0.5 C27H32O14 Narirutin METLIN ID 52724
11 10.16 + 336.12303 336.12287 −0.5 C20H18NO4 Epiberberine [27]
12 10.28 + 338.13868 338.13842 −0.8 C20H20NO4 Jatrorrhizine [27]
13 10.47 +H 273.07575 273.07598 0.8 C15H12O5 Naringenin METLIN ID 3401
14 10.48 +H 581.18648 581.18619 −0.5 C27H32O14 Naringin MassBank ID PB005724
15 10.59 +H 579.17083 579.17039 −0.8 C27H30O14 Rhoifolin METLIN ID 44401
16 10.81 +H 611.19705 611.19675 −0.5 C28H34O15 Hesperidin METLIN ID 3678
17 11.09 +H 609.1814 609.18146 0.1 C28H32O15 Diosmetin 7-neohesperidoside METLINID 49249
18 11.17 +H 303.08631 303.08609 −0.8 C16H14O6 Hesperetin METLIN ID 44508
19 11.17 +H 611.19705 611.19675 −0.5 C28H34O15 Neohesperidin METLIN ID 3679
20 11.29 + 336.12303 336.12287 −0.5 C20H18NO4 Berberine Mass Bank ID KO002476
21 11.44 + 352.15433 352.15407 −0.8 C21H22NO4 Palmatine METLIN ID 6992
22 11.85 +H 419.13366 419.13363 −0.1 C21H22O9 Liquiritin MassBank ID BML01654
23 12.27 +H 257.08084 257.08056 −1.1 C15H12O4 Isoliquiritigenin [28]
24 13.21 +H 595.20213 595.20216 0 C28H34O14 Poncirin MassBank ID PR100363
25 15.04 +H 331.08123 331.08133 0.3 C17H14O7 Tricin MassBank ID FIO00740
26 16.48 +H 269.08084 269.08099 0.6 C16H12O4 Formononetin METLIN ID 43917
27 17.60 +H 471.20134 471.20149 0.3 C26H30O8 Limonin METLIN ID 44458
28 18.19 +H 471.34689 471.34677 −0.2 C30H46O4 Glycyrrhetinic acid MassBank ID KO003037
29 18.19 +H 823.41106 823.41217 1.3 C42H62O16 Glycyrrhizic acid METLIN ID 44285
30 18.79 +H 403.13874 403.13865 −0.2 C21H22O8 Nobiletin METLIN ID 44436
31 20.28 +H 373.12818 373.12836 0.5 C20H20O7 Sinensetin METLIN ID 49674