LC-MS profile dataset for Brucea javanica extract

Description

This dataset describes the chemical profiling of dichloromethane Brucea javanica root extract obtained in positive and negative ionization modes. The dataset was acquired using Dionex Ultimate 3000 UPLC system coupled with Orbitrap Q Exactive™ Mass Spectrometer (Thermo Fisher Scientific, Waltham, MA, USA) and can be accessed and processed using Xcalibur™ Software, or any open-source LC-MS processing software (e.g. MZmine, ACD/Labs and any other suitable software.

Steps to reproduce

The chromatography separation was performed on ACQUITY UPLC ® HSS T3 1.8 μm, 2.1 mm X 100 mm column (Waters, Ireland) at a flow rate of 0.3 mL/min. The chemical profiling can be obtained using the LC gradient as follows: 5 % B for 2 min; 5 % B – 100 % B from 2- 30 min; 100 % B from 30-35 min; 100 % B to 5 % B from 35-35.5 min; and finally, 4.5 min column equilibration with 5% B.

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