Supplementary Fig. S1 related to this article can be found, in theonline version, at http://dx.doi.org/10.1016/j.chroma.2014.08.030.The mass spectrometer Q-Orbitrap was equipped with a HeatedElectrospray Ionization (HESI) source. The optimized HESI temper-ature was set at 350◦C, the capillary temperature at 320◦C, theelectrospray voltage at 3.5 kV for positive mode. Sheath and auxil-iary gas were 18 and 3 L min−1. All quantitative data in this studywere acquired using full MS scan mode. In full MS/dd-MS2(Top 5),which is used for confirmatory purpose, the Q-Orbitrap performsdata-dependent scans. As long as the targeted compounds weredetected (a list of targeted accurate masses), precursor ions thatwere selected by the quadrupole were sent to the HCD collision cellof the Q-Orbitrap mass spectrometer. Here, they were fragmentedwith normalized collision energy (NCE) to obtain product ion spec-tra. At this stage, the mass resolution was set at 17,500 FWHM (m/z200) and NCE 35%. Using this strategy, coeluting matrix compoundsfrom the matrix or noisy peaks can be easily excluded, facilitatingthe identification and quantification of known or unknown analytesin a single run analysis.