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Ultrahigh Resolution Mass Spectrometry

Ultra HR-MS determines molecular masses with extremely high accuracy and resolution enabling the assignment of molecular formulae and graphical data analysis of highly complex mixtures such as crude oil, combustion and ambient aerosol samples, which often contain up to 50,000 individual species.

Ultra HR-MS determines molecular masses with extremely high accuracy and resolution enabling the assignment of molecular formulae and graphical data analysis of highly complex mixtures such as crude oil, combustion and ambient aerosol samples, which often contain up to 50,000 individual species.

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About our research

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.

Scientists at Ultra HR-MS

Dr. Christopher Rüger

Head of Ultra HR-MS

Abdulghani Ebtini

PhD Student

Lukas Friederici

PhD Student

Arne Koch

PhD Student

Paul Kösling

PhD Student

Thomas Kröger-Badge

Engineer

Dr. Anika Neumann

Scientist

Andrea Schaarschmidt

Technician

Eric Schneider

PhD Student

Ole Tiemann

PhD Student

Silvia Juliana Vesga Martinez

PhD Student

Publications

2017 Scientific Article in Environmental Science and Pollution Research Environ. Sci. Pollut. Res. 24, 10976-10991 (2017)

Streibel, T. ; Schnelle-Kreis, J. ; Czech, H. ; Harndorf, H. ; Jakobi, G. ; Jokiniemi, J. ; Karg, E.W. ; Lintelmann, J. ; Matuschek, G. ; Michalke, B. ; Müller, L. ; Orasche, J. ; Passig, J. ; Radischat, C. ; Rabe, R. ; Reda, A. ; Rüger, C.P. ; Schwemer, T. ; Sippula, O. ; Stengel, B. ; Sklorz, M. ; Torvela, T. ; Weggler, B.A. ; Zimmermann, R.

Aerosol emissions of a ship diesel engine operated with diesel fuel or heavy fuel oil.

2015 Scientific Article in PLoS ONE PLoS ONE 10:e0126536 (2015)

Oeder, S. ; Kanashova, T. ; Sippula, O. ; Sapcariu, S.C. ; Streibel, T. ; Arteaga-Salas, J.M. ; Passig, J. ; Dilger, M. ; Paur, H.R. ; Schläger, C. ; Mülhopt, S. ; Diabaté, S. ; Weiss, C. ; Stengel, B. ; Rabe, R. ; Harndorf, H. ; Torvela, T. ; Jokiniemi, J.K. ; Hirvonen, M.R. ; Schmidt-Weber, C.B. ; Traidl-Hoffmann, C. ; BéruBé, K.A. ; Wlodarczyk, A.J. ; Prytherch, Z. ; Michalke, B. ; Krebs, T. ; Prévôt, A.S. ; Kelbg, M. ; Tiggesbäumker, J. ; Karg, E.W. ; Jakobi, G. ; Scholtes, S. ; Schnelle-Kreis, J. ; Lintelmann, J. ; Matuschek, G. ; Sklorz, M. ; Klingbeil, S. ; Orasche, J. ; Richthammer, P. ; Müller, L. ; Elsasser, M. ; Reda, A. ; Gröger, T.M. ; Weggler, B.A. ; Schwemer, T. ; Czech, H. ; Rüger, C.P. ; Abbaszade, G. ; Radischat, C. ; Hiller, K. ; Buters, J.T.M. ; Dittmar, G. ; Zimmermann, R.

Particulate matter from both heavy fuel oil and diesel fuel shipping emissions show strong biological effects on human lung cells at realistic and comparable in vitro exposure conditions.

Contact

Dr. Christopher Rüger

Head of Ultra HR-MS