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. 2019 Mar 7;14:1753–1777. doi: 10.2147/IJN.S176013

Table 1.

Characterization of phenolic compounds of PPE using LC-ESI/MS analysis

Component name Expected mass (Da) Observed m/z Mass error (mDa) Mass error (ppm) Retention time (min) Detector response Adducts
(−) Epigallocatechin gallate 458.08 481.07 −0.91 −1.88 3.17 1,926.77 +Na, +H
3′,4′,5,7-Tetrahydroxyisoflavanone 288.06 289.07 0.73 2.51 3.60 1,129.09 +H
6″-O-Acetyldaidzin 458.12 459.12 −1.15 −2.49 7.02 1,507.41 +H
Cyanidin 3-O-xyloside 419.09 419.09 1.59 3.79 7.56 1,618.00 −e, +H
Dihydroquercetin 3-O-hexoside 466.11 489.10 0.72 1.48 4.43 3,258.50 +Na
Ellagic acid 302.00 303.01 0.37 1.23 5.69 119,562.75 +H, −e, +Na
Ellagic acid arabinoside 434.04 435.05 0.19 0.43 5.39 9,050.23 +H, +Na
Ellagic acid glucoside 464.05 465.06 1.43 3.08 4.27 4,554.70 +H, +Na
Epigallocatechin (−) 306.07 307.08 0.91 2.98 1.13 2,386.10 +H, +Na
Gallagic acid 604.01 604.00 −2.72 −4.50 4.17 1,057.14 −e
Gallic acid 170.02 171.02 0.23 1.37 0.96 2,218.83 +H
Isopeonidin 3-O-sambubioside 595.16 618.15 −3.60 −5.83 6.50 2,121.97 +Na, −H, −e
Kaempferol 3-(2G-rhamnosylrutinoside) 448.10 471.09 0.42 0.89 6.49 22,420.06 +Na, +H
Kaempferol 3-O-rhamnoside 432.10 433.11 0.44 1.00 6.48 2,342.33 +H, +Na
Leucopelargonidin 290.07 291.08 0.43 1.47 2.35 1,743.90 +H
Methylgalangin 286.04 287.05 0.50 1.74 6.49 15,837.07 +H
Punicalin 782.06 783.06 1.39 1.77 4.38 2,813.12 +H

Abbreviations: ESI, electrospray ionization; LC, Liquid chromatography; MS, mass spectrometer; PPE, pomegranate peel extract.