5.5. Analysis of Secondary Compounds Present in the Crude Extract and Partitions in Miconia Chamissois by FT-ICR MS

The crude extract and partitions were analyzed using the negative ion-mode Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (ESI (−) FT-ICR MS, model 9.4 T Solarix, Bruker Daltonics Bremen). All mass spectra were externally calibrated using NaTFA (m/z from 200 to 2000). The source parameters of the ESI (−) source were: nebulizer gas pressure of 0.5–1.0 bar, capillary voltage of 3–3.5 Kv, and capillary transfer temperature of 250 °C. The resolution power used was m/Δm50% ≅ 200,000 (where Δm50% is the maximum peak width at peak height m/z ≅ 400) and mass accuracy <8 ppm. The degree of unsaturation for each molecule can be deduced directly from its DBE value according to the equation DBE = c − h/2 + n/2 + 1, where c, h, and n are the numbers of carbon atoms, hydrogens, and nitrogen in the molecular formula, respectively. The FT-ICR mass spectrum was acquired and processed using Compass Data Analysis software. The elemental compositions of the present compounds were determined by measuring the m/z ratio values. The (ESI (−) FT-ICR MS and NMR spectrum are presented in the supplementary material (Figure S1).