NMR and MS Infrastructure

Last changed: 15 March 2023



The Department of Molecular Sciences has two NMR spectrometers, both installed in 2012:

  1. A Bruker Avance III 600 MHz equipped with a 5-mm 1H/13C/15N/31P Cryoprobe and with a cooled SampleJet sample changer for 5x96 samples and 30 spinner positions.
  2. A Bruker Avance III 600 MHz equipped with a 4-mm 1H/13C high-resolution magic angle spinning (HR-MAS) probe, a 4 mm (1H-19F)/(15N-31P) CPMAS probe and a 5-mm BB/19F-1H Smartprobe and a sample changer accommodating 120 spinners

The instruments, are used for example in metabolomics research, for structural analysis of biomolecules such as polysaccharides, proteins,  and secondary metabolites. Metabolomics studies involve analysis of biofluids or extracts by high-resolution solution state NMR as well as analysis of intact tissues by HR-MAS NMR.


The department of Molecular Sciences has four mass spectrometers,

  1. A Bruker MaXis Impact ESI-QTOFMS (2011)
  2. A Bruker AmaZon speed ETD ESI-ITMS (2011)
  3. A Bruker MALDI-TOF/TOF (2014)
  4. A UHPL Q-exactive Orbitrap (from 2020)

The instruments are used for research in the field of organic chemistry natural products chemistry and metabolomics.

Examples of studies performed at these platforms

Interaction between the anti-HIV Cyanovirin-N protein and oligomannoside ligands

Atomic mapping of the sugar interactions in one-site and two-site mutants of Cyanovirin by NMR spectroscopy.

Structural analysis of bacterial polysaccharides

Structural Analysis of the Core Oligosaccharide and the O-Specific Polysaccharide from the Plesiomonas shigelloides O33:H3 (Strain CNCTC 34/89) Lipopolysaccharide

Analysis of fatty acids in fish muscles

J. Agric. Food Chem., 2010, 58, 10799; Food Chemistry, 2011, 129, 1397.

Structural analysis of saponins with multidimensional LC-MS and multivariate analysis

Multidimensional profiling of components in complex mixtures of natural products for metabolic analysis, proof of concept: application to Quillaja saponins.

Biosynthesis of fomannoxin in the root rotting pathogen Heterobasidion occidentale

Phytochemistry,  2012, 84, 31-39
Secondary metabolite comparison of the species within the Heterobasidion annosum s.l. complex

Phytochemistry, 2014, 108, 243–251


Corine Sandström, Professor

Department of Molecular Sciences, SLU
corine.sandstrom@slu.se, 018-671504