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. 2024 Feb 13;72(8):4184–4194. doi: 10.1021/acs.jafc.4c00042

Table 1. LC-ESI-QqQ-MS/MS Conditions and Quantification Details of PAC Metabolites.

compound RTa precursor (m/z) qualifying ionsb collision energy RF lens calibration equation R2 LOD LOQ
34PP 5.16 181 109 17.1 75 Y = 3.64 × 105X + 1.28 × 105 0.9959 0.95 2.88
135 16.9
137* 10.2
HPP 6.80 165.2 106.1 20.7 40 Y = 5.22 × 105X + 1.91 × 106 0.9939 6.84 20.73
119.1 14.2
121.2* 10.6
34PA 3.93 167 93 21.4 30 Y = 7.51 × 104X + 3.08 × 105 0.9926 12.26 37.16
95 18.8
123.1* 10.2
HPA 5.67 151.1 65 24.1 30 Y = 2.63 × 104X + 3.78 × 104 0.9959 6.35 19.24
79 21.2
92 25.8
107* 10.2
34PV 5.40 207 121.9 20.6 52 Y = 2.63 × 106X + 6.44 × 105 0.9936 0.73 2.21
161 20.9
163.1* 16.1
34BA 3.95 153 81.2 22.7 30 Y = 2.18 × 106X + 2.38 × 104 0.9965 0.67 2.04
91.1 26.9
109.1* 13.6
HBA 5.90 137.1 65.1 23.7 46 Y = 3.05 × 105X + 3.53 × 104 0.9967 0.71 2.16
93* 10.2
136.5 10.2
ethyl gallate 5.20 197.1 124* 22.5 62 Y = 3.33 × 106X + 1.83 × 106 0.9927 1.34 4.07
125 20.5
169 15.5
a

Retention time.

b

The quantifying ion is indicated by an asterisk (*).