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. 2024 Feb 16;416(7):1759–1774. doi: 10.1007/s00216-024-05179-y

Table 1.

Range of the calibration curve, regression coefficient (R2), signal suppression and enhancement (SSE), limit of detection (LOD), limit of quantification (LOQ), and the mean recovery (RE) of the three spiking levels for each analyte as evaluated during in-house validation. Parameters that could not be determined are listed as n.d

Analyte CAS number Calibration range (ng*mL−1) R2 SSE (%) LOD (ng*mL−1) LOQ (ng*mL−1) RE (%)
Dihydrochalcones
  Phloretin 60–82-2 0.015–7.2 0.991 114 0.017 0.034 96
Hydroxybenzoic acids
  3,5-Dihydroxybenzoic acid 99–10-5 0.22–29a 0.903 120 0.41 0.82 44
  3-Hydroxybenzoic acid 99–06-9 1.2–590 0.989 109 0.84 1.7 96
  4-Hydroxybenzoic acid 99–96-7 0.08–35 0.988 109 0.19 0.38 88
  Benzoic acid 65–85-0 3.5–1600 0.976 107 46b 92b 84
  Ellagic acid 476–66-4 1.74–78c 0.991 163 8.9b 18b 8
  Ethyl gallate 831–61-8 0.004–2.4 0.992 113 0.0024 0.0048 88
  Gallic acid 149–91-7 0.023–3.0a 0.905 129 0.028 0.056 33
  Protocatechuic acid 99–50-3 0.015–6.6 0.873 112 0.059 0.12 42
  Salicylic acid 69–72-7 0.2–27a 0.994 124 0.48 0.96 86
  Syringic acid 530–57-4 0.022–11 0.992 112 0.068 0.14 95
  Vanillic acid 121–34-6 0.16–70 0.988 111 0.17 0.33 94
Hydroxycinnamic acids
  Caffeic acid 501–16-6 0.3–130 0.993 110 0.55 1.1 88
  Caffeic acid-3-β-D-glucuronide 1093679–73-2 0.014–6.8 0.991 107 0.0085 0.017 69
  Chlorogenic acid 327–97-9 0.29–38a 0.996 112 0.32 0.65 60
  Cinnamic acid 621–82-9 1.5–650 0.994 113 2.1 4.3 90
  Dihydrocaffeic acid 1078–61-1 0.082–36 0.996 110 0.16 0.33 88
  Dihydroferulic acid 1135–23-5 0.11–49 0.989 114 0.35 0.71 100
  Ferulic acid/Isoferulic acid 537–98-4/537–76-5 0.058–26 0.994 110 0.096 0.19 89
  p-Coumaric acid 501–98-4 0.044–19 0.990 109 0.046 0.092 94
  Sinapic acid 530–59-6 0.022–11 0.993 110 0.087 0.17 96
  trans-m-Coumaric acid 588–30-7 0.25–110 0.992 107 0.69 1.4 86
  trans-o-Coumaric acid 583–17-5 0.13–64 0.994 107 0.2 0.4 94
Hydroxyphenylacetic acids
  3-(3-Hydroxyphenyl)propionic acid 621–54-5 0.09–37 0.990 108 0.38 0.76 95
  3-Hydroxyphenylacetic acid 621–37-4 2–890 0.990 107 4.5 9 98
  4-Hydroxyphenylacetic acid 156–38-7 2.6–1100 0.991 104 5.9 12 94
  Homoprotocatechuic acid 102–32-9 0.4–182 0.992 107 1.7 3.4 93
  Homovanillic acid 306–08-1 0.73–331 0.991 109 0.64 1.3 97
Lignans
  Enterodiol 80226–00-2 0.005–2.1 0.987 109 0.017 0.034 88
  Enterolactone 78473–71-9 0.014–6.8 0.992 117 0.018 0.036 89
Others
  2,6-Dimethoxyphenol 91–10-1 0.05–21 0.986 106 0.061 0.12 98
  3,5-Dimethoxy-4-hydroxyphenylacetic acid 4385–56-2 0.31–140 0.993 109 0.43 0.86 97
  3-Methylcatechol 488–17-5 0.15–67 0.992 109 0.16 0.32 94
  4-Methylcatechol 452–86-8 0.33–150 0.993 110 0.24 0.48 94
  Catechol 120–80-9 3.3–130a 0.759 110 5 10 57
  Eugenol 97–53-0 2.2–990 0.985 103 4.7 9.4 91
  Hydroxytyrosol 90–05-1 0.041–19 0.992 112 0.034 0.068 90
  Pyrogallol 10597–60-1 0.42–190 0.985 127 1.4 2.8 91
  Thymol 89–83-8 0.67–300 0.937 99 69b 140b 76
  Urolithin A 1143–70-0 0.007–3.6 0.992 111 0.014 0.028 90
Stilbenes
  Dihydroresveratrol 58,436–28-5 0.035–16 0.991 109 0.054 0.11 91
  Polydatin 65914–17-2 0.012–5 0.988 106 0.061 0.12 99
  Pterostilbene 537–42-8 0.016–7 0.994 121 0.034 0.068 94
  Resveratrol 501–36-0 0.03–14 0.992 113 0.043 0.086 89
Anthocyanins
  Cyanidin 87725–42-6 4.4–2000a 0.975 115 39b 78b 46
  Cyanidin-3-O-glucoside 47705–70-4 0.06–8.1a 0.995 140 0.18b 0.36b 15
  Cyanidin-3-O-rutinoside 28338–59-2 0.052–6.9a 0.995 136 0.26b 0.52b 21
  Cyanidin-3-O-sambubioside 63535–17-1 0.1–15a 0.996 138 0.29b 0.58b 7
  Delphinidin 528–53-0 5.3–703a 0.959 178 28b 56b 23
  Delphinidin-3-O-glucoside 50986–17-9 2.1–300a 0.981 160 11b 22b 10
Catechins
  (-)-Epicatechin 490–46-0 0.2–90 0.992 107 0.24 0.48 90
  (-)-Epicatechin gallate 1257–08-5 0.08–36 0.989 117 0.13 0.26 74
  (-)-Epigallocatechin 970–74-1 1.4–620 0.968 123 5.3 11 92
  (-)-Epigallocatechin gallate 989–51-5 1–440 0.970 135 4.2 8.4 74
  (-)-Gallocatechin 3371–27-5 1.4–620 0.983 250 4.9 9.8 86
  ( +)-Catechin 154–23-4 0.12–53 0.993 113 0.17 0.34 83
Flavanones
  (+/-)-Naringenin 153–18-4 0.008–1.1a 0.992 121 0.036 0.072 86
  8-Prenylnaringenin 53846–50-7 0.02–8.8 0.992 114 0.016 0.032 93
  Hesperetin 520–33-2 0.009–3.8 0.993 114 0.013 0.026 96
  Hesperidin 520–26-3 0.006–2.6 0.991 120 0.0094 0.019 93
  Isoxanthohumol 521–48-2 0.004–1.8 0.994 115 0.0054 0.011 93
  Naringin 10236–47-2 0.23–100 0.989 112 0.56 1.1 84
  Neohesperidin 13241–33-3 0.3–140 0.992 110 0.6 1.2 85
  Neohesperidin dihydrochalcone 20702–77-6 0.006–2.6 0.994 109 0.0085 0.017 85
  Xanthohumol 6754–58-1 0.012–5.3 0.992 109 0.017 0.034 91
Flavones
  Apigenin 520–36-5 0.009–3.9 0.988 117 0.0047 0.0094 89
  Diosmetin 520–34-3 0.005–2.9 0.990 112 0.015 0.03 93
  Diosmin 520–27-4 0.024–11 0.982 119 0.069 0.14 100
Flavonols
  ( +)-Rutin 480–41-1 0.03–13 0.988 106 0.031 0.062 67
  Isorhamnetin 480–19-3 0.006–2.6 0.993 119 0.0089 0.018 79
  Kaempferol 520–18-3 0.12–60 0.990 121 0.17 0.34 90
  Kaempferol-3-O-glucuronide 22688–78-4 0.008–3.5 0.992 111 0.013 0.026 87
  Quercetin 117–39-5 0.052–7.1a 0.991 129 0.12 0.24 63
  Quercetin-7-O-β-D-glucuronide 38934–20-2 0.031–14 0.989 121 0.066 0.13 62
Isoflavones
  Biochanin A 491–80-5 0.009–3.9 0.994 117 0.014 0.028 90
  Daidzein 486–66-8 0.01–4.8 0.992 109 0.034 0.068 89
  Daidzein-7-β-D-glucuronide 38482–80-3 0.032–14 0.993 107 0.063 0.13 88
  Genistein 446–72-0 0.01–4.3 0.977 119 0.0047 0.0094 79
  Genistein-7-β-D-glucuronide 38482–81-4 0.04–16 0.993 108 0.054 0.11 92
  Genistein-7-sulfate 182322–62-9 0.27–13d 0.930 105 0.18 0.36 59
  S-Equol 531–95-3 0.42–190 0.986 106 2.2 4.4 88
Proanthocyanidins
  Procyanidin A2 41743–41-3 0.07–31 0.983 108 0.24 0.48 82
  Procyanidin B1 20315–25-7 1.1–500 0.994 106 1.1 2.2 67
  Procyanidin B2 29106–49-8 0.3–130 0.950 108 16b 33b 69
  Procyanidin C1 37064–30-5 0.21–93 0.986 113 0.62 1.2 60

aThe maximum concentrations of the calibration curve exceeded the range of linearity, thus the highest calibration point was excluded

bNo chromatographic peak at the lowest spiking level thus, the standard deviation of the next highest spiking level with a chromatographic peak was used to calculate LOD and LOQ

cThe two highest concentrations of the calibration curve exceeded the range of linearity, thus they were excluded

dThe concentrations of the calibration curve were chosen too high, and the limit of linearity was reached. Therefore, the three highest calibration points were excluded