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Chemical description of complex organic mixtures requires powerful analytical platforms. High-resolution mass spectrometry has proven to be a suitable approach for addressing the compositional space on the molecular level. High mass accuracy and mass resolving power allow attributing elemental compositions with sub-part-per-million (ppm) accuracy at the same time separating the vast complexity of signals at the mass-to-charge dimension (figure 1). Specific ionization schemes, such as laser-based photoionization, and coupling techniques, such as gas chromatography, allow targeting certain parts of the chemical space and adding further valuable structural information. Ultrahigh resolution mass spectrometry summarizes the efforts of the JMSC in the field of Fourier transform mass spectrometry with a variety of instrumental developments (enabling technologies) as well as application fields.

We are working on multiple high-performance mass spectrometric platforms from multiple vendors. Central instrumentation is a Bruker solariX/apex Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) equipped with a 7 Tesla superconducting magnet. The platform consists of two mass spectrometer units: 1) a conventional solariX FT-ICR MS equipped with several direct infusion techniques (electrospray, atmospheric pressure chemical and photoionization (APCI/APPI) and a matrix-assisted laser desorption ionization (MALDI) unit and 2) a modified apex FT-ICR MS coupled to either gas chromatography or thermogravimetry with APCI, APPI and atmospheric pressure laser ionization (APLI, Nd:YAG 266 nm, fluorine excimer 157 nm). The FT-ICR MS platform easily delivers resolving powers above 300,000 at m/z 400 with < 1 ppm mass accuracy. Moreover, we run two Orbitrap FT MS systems (a LTQ XL and an Exactive Orbitrap) and an Agilent gas chromatography mass spectrometer (GC-QMS) with electron ionization and PAL autosampler.