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

Table 3.

Identification of the compounds in water extract of Huanglian-Wendan Decoction by LC-MS/MS analysis in negative ion mode.

Number Retention time (min) Adduct Extraction mass (Da) Found mass (Da) Error (ppm) Formula Identification Reference
1 1.10 −H 191.01973 191.01964 −0.5 C6H8O7 Citric acid METLIN ID 124
2 1.23 −H 117.01933 117.01934 0.1 C4H6O4 Succinic acid METLIN ID 114
3 2.95 −H 153.01933 153.01944 0.7 C7H6O4 3,4-Dihydroxybenzoic acid METLIN ID 3277
4 6.34 −H 353.08781 353.08812 0.9 C16H18O9 Chlorogenic acid METLIN ID 3498
5 9.46 −H 193.05063 193.05063 0.0 C10H10O4 Ferulic acid METLIN ID 4156
6 9.86 −H 595.16684 595.16911 3.8 C27H32O15 Eriocitrin [28]
7 9.92 −H 417.11911 417.11951 1.0 C21H22O9 Liquiritin [29]
8 10.22 −H 595.16684 595.16911 3.8 C27H32O15 Neoeriocitrin [28]
9 10.89 −H 579.17193 579.1736 2.9 C27H32O14 Narirutin [28]
10 11.25 −H 579.17193 579.1736 2.9 C27H32O14 Naringin [28]
11 11.57 −H 609.18249 609.18517 4.4 C28H34O15 Hesperidin METLIN ID 3678
12 11.94 −H 609.18249 609.18517 4.4 C28H34O15 Neohesperidin METLIN ID 3679
13 12.6 −H 417.11911 417.11951 1.0 C21H22O9 Isoliquiritin [29]
14 13.01 −H 255.06628 255.0665 0.8 C15H12O4 Liquiritigenin [29]
15 13.92 −H 593.18758 593.18923 2.8 C28H34O14 Poncirin [28]
16 14.96 −H 271.0612 271.06143 0.9 C15H12O5 Naringenin METLIN ID 3401
17 15.7 −H 301.07176 301.07191 0.5 C16H14O6 Hesperetin METLIN ID 44508
18 16.79 −H 255.06628 255.0665 0.8 C15H12O4 Isoliquiritigenin METLIN ID 44115
19 18.75 −H 821.39651 821.3992 3.3 C42H62O16 Glycyrrhizic acid METLIN ID 44285
20 28.01 −H 469.33233 469.33327 2.0 C30H46O4 Glycyrrhetinic acid [29]