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. 2021 Jul 20;16(7):e0254759. doi: 10.1371/journal.pone.0254759

Table 1. Details of potential chemical markers of C. reticulata ‘BZH’.

ID Q1 (Da) Q3 (Da) Rt (min) Molecular Ionization model Compounds
1 417.2 297.1 4 416.2 [M+H]+ Chrysin C-hexoside
2 637.1 303.4 3.27 637.1 Protonated Delphinidin O-malonyl-malonylhexoside
3 491.1 287.1 5.09 492.1 [M-H]- Acetyl-eriodictyol O-hexoside
4 445 283 3.54 446.12 [M-H]- Glycitin
5 431 269 4.01 432.11 [M-H]- Genistein 7-O-Glucoside (genistin)
6 433.1 271 2.83 433.1 Protonated Pelargonidin 3-O-beta-D-glucoside (callistephin chloride)
7 429.1 267 4.59 430.13 [M-H]- Formononetin 7-O-glucoside (ononin)
8 465.1 300.7 4 464.1 [M-H]- Gossypitrin
9 301.1 258 6.28 300.06 [M+H]+ Hydroxygenkwanin
10 433.1 271.1 4.21 432.1 [M+H]+ Apigenin 7-O-glucoside (cosmosiin)
11 659.2 331.1 4.5 658.2 [M+H]+ Tricin 4’-O-(syringyl alcohol) ether 5-O-hexoside
12 435.1 303 3.98 434.08 [M+H]+ Quercetin 3-alpha-L-arabinofuranoside (avicularin)
13 285 257 5.08 286.05 [M-H]- Orobol (5,7,3’,4’-tetrahydroxyisoflavone)
14 595 270.9 2.38 595 Protonated Pelargonin
15 625.1 445.2 2.47 626.1 [M-H]- Hesperetin C-hexoside O-hexoside
16 725.2 331.1 4.5 724.2 [M+H]+ Tricin O-rhamnosyl-O-malonylhexoside

Note: Q1 means molecular ion; Q3 means characteristic ion; Rt means retention time; Da means Dalton.