Masshunter workstation software version b 06

An Agilent high-resolution Q-TOF system series 6520 and UHPLC system series 1290 and Zorbax Eclipse-C18 HD (2.1 × 50 mm, dp = 1.8 μm) column was used for UHPLC–ESI-QTOF analysis. For control of the system, data acquisition, qualitative and quantitative analysis, MassHunter workstation software version B.06.00 (Agilent Technologies, Santa Clara, CA, USA) was used. To ensure accuracy in mass measurements, a reference mass correction was provided by using masses 121.050873 and 922.009798 as lock masses. The conditions for performing chromatography were optimized based on previous studies [17 (link)]. All of the chromatographic and spectrometric parameters are described in Table 3.

The conditions for performing chromatography were optimized based on previous studies. The LC–MS analysis was conducted using an Agilent high-resolution Q-TOF system series 6520 equipped with an electrospray ionization source (ESI) and UHPLC system series 1290. For the analysis, a Kinetex-C18 (2.1 mm × 50 mm, dp = 1.7 μm) reversed-phase chromatographic column with a C18 precolumn guard (Phenomenex, Torrance, CA, USA) was employed. The MassHunter workstation software version B.06.00 (Agilent Technologies, Santa Clara, CA, USA) was used to control of the UHPLC-HRMS system, manage data acquisition, and perform qualitative and quantitative analysis. To ensure accuracy in mass measurements, a reference mass correction was implemented by utilizing lock masses of 121.050873 and 922.009798 (API-TOF Reference Mass Solution Kit; Agilent Technologies, Santa Clara, CA, USA). The process of optimizing instrument conditions commenced with the tunning of the MS detector in a positive mode operating within an extended dynamic range (2 GHz). Detailed information regarding the chromatographic and spectrometric parameters can be found in Table S1.

Mass spectrometry was performed using an Agilent 6540 QTOF–MS (Agilent Corp., USA) equipped with a Dual AJS electrospray ionization (ESI) source, and the following operating parameters were used: positive mode, drying gas (nitrogen, N₂); flow rate, 8.0 L/min; gas temperature, 325 °C; nebulizer, 40 psig; sheath gas temperature, 350 °C; sheath gas flow, 11 L/min; capillary voltage, 4000 V; skimmer, 65 V; OCT 1 RF Vpp, 750 V; fragmentor, 110 V. The sample collision energy was set at 10, 20, 30 and 40 V. All the operations, acquisition, and analyses of data were controlled by Agilent LCMS-QTOF Mass Hunter Acquisition Software Ver. B.06.00 (Agilent Technologies Inc.) and operated under Mass Hunter Workstation Software Version B.06.00 (Agilent Technologies Inc.).