The Screening Research of NF-?B Inhibitors from Moutan Cortex Based on Bioactivity-Integrated UPLC-Q/TOF-MS

Lu, Yujie; Liu, Wenjuan; Zhang, Man; Deng, Yanfang; Jiang, Min; Bai, Gang

Accurate mass and MS/MS measurements were performed by a Waters Q/TOF micro Synapt High Definition Mass Spectrometer (Waters MS Technologies, Manchester, UK) with a dual electrospray ionization (ESI) system. The optimal analytical condition was set as follows: the source temperature was 110 ∘ C; the capillary voltage was 3.0 kV in positive ion mode and 2.5 kV in negative ion mode; the sample and extraction cone voltage were 30 V and 4.0 V, respectively; the flow rate of the desolvation gas was 600 L/h at a desolvation temperature of 350 ∘ C; the cone gas flow was 50 L/h. The MS spectra scanning range in the wide-pass mode was 50 Da to 1200 Da. Leucine enkephalin amide acetate (LEA, 200 ng/mL) was used as the lock mass ([M+H] + = 555.2931, [M-H] + = 553.2775). And a flow rate was set at 20 l/min. Based on the MS/MS information, peaks of interest were confirmed by the molecular weight and structure of the contained constituent. Some peaks with the similar MS/MS information could be identified by their different retention behaviors.