Table 1: Optimized ESI-MS/MS parameters for each of the studied analytes.
Analyte | Transitions (m/z) | Polarity | Retention time (min) | DP (V) | CE (V) | CXP (V) | IS |
4MAA | 218.1/56a | Positive | 1.9 | 26 | 41 | 8 | FLU-d3 |
218.1/97 | 17 | 12 | |||||
TLF | 262/244.1a | Positive | 11.3 | 21 | 39 | 6 | FLU-d3 |
261/209.1 | 19 | 12 | |||||
DCL | 296.1/214a | Positive | 10.2 | 41 | 45 | 12 | FLU-d3 |
296.1 /250 | 17 | 10 | |||||
CPF | 271.9/227.9a | Negative | 10 | -21 | -38 | -13 | FLU-d3 |
271.9/225.9 | -14 | -13 | |||||
PBZ | 307.1/279a | Negative | 9.8 | -41 | -32 | -7 | FLU-d3 |
307.1/130.8 | -26 | -15 | |||||
FLU-OH | 310.9/267.1a | Negative | 9.1 | -40 | -32 | -9 | FLU-d3 |
310.9/277 | -24 | -11 | |||||
MLX | 349.9/285.9a | Negative | 8.7 | -31 | -28 | -9 | FLU-d3 |
349.9/145.9 | -20 | -7 | |||||
IBU | 205/161.1a | Negative | 10.4 | -5 | -10 | -11 | FLU-d3 |
205/158.8 | -10 | -11 | |||||
CAP | 321/152.1a | Negative | 5.3 | -30 | -22 | -23 | CAP-d5 |
321/257.1 | -16 | -25 | |||||
CAP-d5 | 325.9/157 | Negative | 5.26 | -45 | -22 | -17 | |
FLU-d3 | 297.9/254.2 | Negative | 9.3 | -65 | -24 | -11 |
DP: Declustering Potential; CE: Collision Energy; CXP: Cell Exit Potential; aQuantifier ion.