Metabolite Analysis Using Orbitrap-MS

The metabolite analysis was based on literature reports [13 (link),14 (link)] in sample preparation and metabolite analysis. Briefly, an Ultra-high performance liquid phase tandem Thermo Q Exactive Orbitrap mass spectrometer, which was equipped with a UPLC HSS T3 column (2.1 mm × 100 mm, 1.8 μm) (Waters Corporation, Shanghai, China), and the control software (Xcalibur, version: 4.0.27, Thermo Scientific (Waltham, MA, USA)) was used as the liquid-mass system for primary and secondary mass spectrometry data acquisition. The mobile phase under a positive ion mode was composed of A: 0.1% formic acid aqueous solution and B: acetonitrile. For negative ion mode, mobile phase A was 5 mmol/L ammonium acetate aqueous solution and mobile phase B was acetonitrile. MS-DIAL [15 (link)] software was used to identify the metabolites based on the open-access database of MetaboLights (https://www.ebi.ac.uk/metabolights (accessed on 9 October 2021)).

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Li X., Cheng Y., Li J., Liu C., Qian H, & Zhang G. (2022). Torularhodin Alleviates Hepatic Dyslipidemia and Inflammations in High-Fat Diet-Induced Obese Mice via PPARα Signaling Pathway. Molecules, 27(19), 6398.

Publication 2022

UPLC HSS T3 column Xcalibur

Acetonitrile Ammonium acetate Dial Formic acid Mass spectrometry

Corresponding Organization : Jiangnan University

Other organizations : Guangdong Food Industry Research Institute

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Variable analysis

independent variables

Ultra-high performance liquid phase tandem Thermo Q Exactive Orbitrap mass spectrometer
UPLC HSS T3 column (2.1 mm × 100 mm, 1.8 μm)
Mobile phase composition (positive ion mode: 0.1% formic acid aqueous solution and acetonitrile; negative ion mode: 5 mmol/L ammonium acetate aqueous solution and acetonitrile)
MS-DIAL software for metabolite identification

dependent variables

Metabolite analysis

control variables

Sample preparation and metabolite analysis based on literature reports [13, 14]
Xcalibur software (version: 4.0.27) for liquid-mass system data acquisition
MetaboLights open-access database for metabolite identification

controls

No positive or negative controls were explicitly mentioned in the provided information.

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