Qtof maxis impact hd

Samples were analyzed using the UPLC Dionex Ultimate 3000 RS LC (Dionex Suftron, GmbH, Thermo Fischer Scientific, Germening, Germany) coupled to the QTOF Bruker Maxis Impact HD (Bruker Daltonik, Bremen, Germany), equipped with an Enclosure services interface operating in negative ion mode. It had a mass range of m/z 50–1000, the capillary voltage was 2500 V, dry N₂ gas flow of 8.0 L/min (200 °C), nebulizer pressure 2.0 bars, end plate offset 500 V, collision energy 25 eV, and an acquisition time factor of 1 s.
Chromatographic separation was carried out using an Acclaim RSLC 120 C18 column (2.2 µm, 120 Å, 2.1 × 100 mm) (Dionex, Thermo Fischer Scientific, Sunnyvale, CA, USA). The mobile phase consisted of 90% methanol with 5 mM ammonium acetate and 50% methanol with 5 mM ammonium acetate. Injection volume was 1.0 µL. Mass calibration was performed using 1 mM sodium formate/acetate in 50% isopropanol with 0.2% formic acid, HCOO(NaCOOH)₁ (m/z 112.9856), Ac(NaAc)₁ (m/z 141.0169), and Ac(NaF)₁ (m/z 127.0013).
Data analysis and calculations were performed using the following software: Data Analysis 4.1 (SmartFormula, SmartFormula 3D, Isotope Pattern, and Fragmentation Explorer), Profile Analysis 2.1 (PCA and Bucket Statistic Plot), Metabolite Detect 2.0 from Bruker Daltonik, Bremen, Germany, MetFrag (version 2010) [32 ], Metlin [33 ], and MassBank [34 ].

Samples were analyzed using an UPLC Dionex Ultimate 3000 RS LC coupled to QTOF Bruker Maxis Impact HD (Bruker Daltonics, Bremen, Germany), equipped with an ESI interface operating in negative ion mode, with a mass range of m/z 50-1000, the capillary voltage was 2500 V; dry N₂ gas flow 8.0 l/min (200°C); nebulizer pressure 2.0 bar; end plate offset 500 V; collision energy 25 eV, and acquisition time factor 1 s.
Chromatographic separation was carried out using an Acclaim RSLC 120 C18 column (2.2 µm, 120 Å, 2.1 x 100 mm) (Dionex). The mobile phase consisted of 90% methanol with 5 mM ammonium acetate and 50% methanol with 5 mM ammonium acetate. Injection volume was 1.0 µl. Mass calibration was performed using 1 mM sodium formate/acetate in 50% isopropanol with 0.2% acid; HCOO(NaCOOH)₁ (m/z 112.9856), Ac(NaAc)₁ (m/z 141.0169), and Ac(NaF)₁ (m/z 127.0013).
Data analysis and calculation were performed using the software programs Data Analysis 4.1 (SmartFormula, SmartFormula 3D, and Fragmentation Explorer) and Profile Analysis 2.1 (PCA, HCA, and SmartFormula) from Bruker Daltonics, Bremen, Germany.