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