Untargeted Metabolite Analysis Using UHPLC-QTOF-MS

The untargeted analysis was performed using a Bruker Elute UHPLC system with Hystar 3.3 software and an ultra-high-resolution mass spectrometer Bruker Impact II (60,000 + resolution version; Bruker Daltonik GmbH) ESI QTOF-MS with Data Analysis 4.2 (Bruker Daltonik GmbH) and Metaboscape (ver. 2022b). Metabolite separation was achieved with a gradient of mobile phases using a Waters UPLC column ACQUITY BEH (C18 silica, 1.7 μm particles, 50 × 2.1 mm) with a compatible column guard was used for all analyses. Further details are described in our previous publication^{35 (link)} and supplementary information 1 (section S1).

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Nizioł J., Ossoliński K., Płaza-Altamer A., Kołodziej A., Ossolińska A., Ossoliński T., Nieczaj A, & Ruman T. (2023). Untargeted urinary metabolomics for bladder cancer biomarker screening with ultrahigh-resolution mass spectrometry. Scientific Reports, 13, 9802.

Publication 2023

Elute UHPLC system Bruker Impact II ESI QTOF-MS Data Analysis 4.2 Metaboscape

Esi 4 Silica

Corresponding Organization : Rzeszów University of Technology

Other organizations : John Paul II Hospital

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Variable analysis

independent variables

Gradient of mobile phases

dependent variables

Metabolite separation

control variables

Bruker Elute UHPLC system with Hystar 3.3 software
Bruker Impact II (60,000 + resolution version; Bruker Daltonik GmbH) ESI QTOF-MS with Data Analysis 4.2 (Bruker Daltonik GmbH) and Metaboscape (ver. 2022b)
Waters UPLC column ACQUITY BEH (C18 silica, 1.7 μm particles, 50 × 2.1 mm) with a compatible column guard

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