Instrumentation Information





Rothamsted Research is one if eight institutes sponsored by the biotechnology and biological sciences research council












Bruker Avance 600MHz NMR


We have commissioned a Bruker 600 MHz NMR spectrometer to enable high-throughput collection of metabolomics data. This is a hyphenated system consisting of the NMR machine, an Agilent HPLC system, a Spark-Holland SPE unit and a Bruker Esquire 3000 benchtop mass spectrometer. The flexibility in the system will allow for a multi-level data collection approach to be taken.



100%All samples will be run in high throughput. 5% of the NMR sample will also be introduced into the mass spectrometer to give an ESI-MS fingerprint of every sample. The SPE unit can be switched in as necessary and will be used to carry out a simple separation, based upon the nature of the SPE cartridge selected. Finally by switching in the HPLC unit and chromatography column, classic LC-NMR-MS can be achieved to help assign structures to unknown metabolites.



Bruker Avance 400MHz NMR Spectrometer.

The Metabolomics Centre is also equipped with a Bruker Avance 400MHz NMR spectrometer equipped with a 60-position BACS auto sampler enabling unsupervised runs of up to 60 samples at a time. This machine is used for in-house research projects and can be used for metabolomics pilot studies. The instrument runs 24 hours a day collecting data for metabolomics projects.



Leco Pegasus III GC-TOF Mass Spectrometer


This instrument was recently acquired and is used exclusively for metabolomics projects. The GC is fitted with a Gerstal MPS2 autosampler, providing a platform for automated sample preparation and advanced automated sampling techniques.


The Pegasus is extremely sensitive, robust and reliable. It has high mass spectral acquisition rates, spectral deconvolution algorithms, fully automated data analysis and innovative maintenance-free source design.








Waters Micromass GCT Mass Spectrometer


The GCT is a benchtop orthogonal time-of-flight (TOF) mass spectrometer coupled to an automated gas chromatograph, that offers exact mass measurement capabilities under MassLynx Software control. The GCTs high resolution and mass accuracy allow for the determination of elemental composition and increased specificity for the identification of unknowns. The high full scan sensitivity further extends it capability to profiling of complex chromatograms.





ThermoFinnigan LCQ Mass Spectrometer


The LCQ offers electrospray and APCI ionization modes. This ion trap mass spectrometer is interfaced with an automated HPLC and a photodiodearray detector. The system is able to perform LC-MSn measurements, providing the capability of structural identification of unknown samples (metabolites, peptides, etc.)



Agilent MSD Mass Spectrometer

A fully automated bench-top gas chromatograph-quadropole mass spectrometer capable of operation in electron impact and chemical ionisation modes.