MS data were recorded using an AB Sciex Triple TOFTM 5600 system-MS/MS (AB SCIEX, Framingham, MA, USA), equipped with an electrospray ionization (ESI) source. The optimized MS conditions in negative ion mode were set as follows: ion source temperature (TEM), 600 °C; flow rate of curtain gas (CUR), 40 psi; flow rate of nebulization gas (GS1) and flow rate of auxiliary gas (GS2), 60 psi; ion spray voltage floating (ISVF), 4500 V; collision energy, −10 V; declustering potential, −100 V. Data were acquired for each sample from 50 to 1500 Da. The data acquisition time was 32 min.
Triple toftm 5600 system ms ms
The AB Sciex Triple TOFTM 5600 system-MS/MS is a high-resolution mass spectrometry instrument. It is capable of performing tandem mass spectrometry (MS/MS) analysis.
5 protocols using triple toftm 5600 system ms ms
UFLC-MS/MS Analysis of Compounds
MS data were recorded using an AB Sciex Triple TOFTM 5600 system-MS/MS (AB SCIEX, Framingham, MA, USA), equipped with an electrospray ionization (ESI) source. The optimized MS conditions in negative ion mode were set as follows: ion source temperature (TEM), 600 °C; flow rate of curtain gas (CUR), 40 psi; flow rate of nebulization gas (GS1) and flow rate of auxiliary gas (GS2), 60 psi; ion spray voltage floating (ISVF), 4500 V; collision energy, −10 V; declustering potential, −100 V. Data were acquired for each sample from 50 to 1500 Da. The data acquisition time was 32 min.
Rapid LC-MS/MS Quantification Analysis
UFLC-MS/MS Analysis of Compounds
Mass spectrometry (MS) detection was performed by AB Sciex Triple TOF TM 5600 system-MS/MS (AB SCIEX, Framingham, MA, USA), equipped with an electrospray ionization (ESI) source in negative ion mode. The optimized MS conditions were set as follows: the ion source temperature (TEM): 600 °C; the flow rate of curtain gas (CUR): 40 psi; the flow rate of nebulization gas (GS1): 60 psi; the flow rate of auxiliary gas (GS2): 60 psi; the ion spray voltage floating (ISVF): 4500 V; the collision energy: −10 V; the declustering potential: −100 V. TOF MS and TOF MS/MS were scanned with the mass range of m/z 100~2000 and 50~1500, respectively.
NMR, MS, and Chromatography Methods
High-Resolution Liquid Chromatography-Mass Spectrometry
The Triple-TOF-MS was operated on AB SCIEX Triple TOF TM 5600 System-MS/MS (AB SCIEX, Framingham, MA, USA) equipped with an electronic spray ionization (ESI) source in positive and negative ion mode. The full scan mass range was set to m/z 100–2000 to acquire TOF-MS data, the scanning range of m/z 50 to 1500 to acquire TOF-MS/MS. The dynamic range enhancement was used throughout the MS experiment to ensure accurate mass measurements. The optimized MS analysis conditions were set as follows: nebulizer gas (GS 1), 55 psi; heater gas (GS 2), 55 psi; curtain gas (CUR), 40 psi; ion spray voltage floating (ISVF), 4500 V; turbo spray temperature (TEM), 550°C; declustering potential, -100 V; collision energy, -40 V.
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