High Resolution Metabolomic Services

Our Equipment

LC-MS system – Ultimate3000 UHPLC with Diode array detector system (Dionex/Thermo Fisher Scientific, Bremen, Germany) coupled to a Thermo Scientific Q Exactive hybrid Quadrupole-Orbitrap Mass Spectrometer (High resolution, high mass accuracy mass spectrometer–MS system)

This bench top LC-MS/MS system combines quadruple precursor ion selection with high-resolution, accurate-mass (HRAM) Orbitrap detection to deliver exceptional performance and versatility. The Q Exactive Mass Spectrometer is equally useful for untargeted or targeted screening and a broad range of qualitative and quantitative applications in metabolomics.

Our Services

1. Untargeted metabolomics is the global analysis of metabolites within a sample with no specific bias towards one particular compound or group of compounds

General Approach

Sample Processing -When intact tissue is provided the untargeted unbiased analysis of samples involves tissue homogenization with a Geno-Grinder homogenizer and extraction in general aqueous-alcohol to extract compounds, which are amenable to analysis.

LC method – reverse phase LC with a C18 column provides efficient separation for moderately polar to non-polar metabolites. A linear gradient is used if no guidance is provided by the client with the potential for gradient optimization at additional cost.

UV-Vis detection – Our LC system is equipped with a diode array detector capable of detection of species active in both the UV and visible spectrum if desired

MS detection – Detection is carried out by default in positive ionization mode. In addition it is possible to carry out negative ionization if it is suspected this will give additional information. The Q-Exactive also has the ability to carry out polarity switching and collect both positive and negative scans in a single run. Both negative and polarity switching methods can be used depending on client preference.

Statistical Analysis – Analysis of untargeted metabolomics data generally consists of several steps. First, data pre-processing is applied to the data. This can include data centroiding, noise reduction, and peak alignment. Following peak processing an appropriate multivariate method, generally principle component analysis (PCA) or partial least-squares discriminant analysis (PLS-DA) are then employed to give unbiased reporting of differences between the metabolic profiles of each sample.

2. Targeted metabolomics focuses on the analysis of one or a few specific compounds or a class of compounds for more definitive quantitation. Targeted analysis can be designed specifically for the need of clients for a class of compounds to be analyzed.

General approach

Sample Processing – When intact sample tissue is provided chemical extraction appropriate to the compounds to be analyzed will be carried out and prepped for HPLC. If Labeled standards are available, they will be added to the sample prior to extraction to facilitate identification and quantification of the endogenous compounds in the samples. For best results please provide sample dry weight.

LC method – Reverse phase LC with a C18 column will still provide adequate separation for most compounds/compound classes. If no method is specified gradient optimization is available at an additional price.

MS detection – Detection will be carried out with selected ion monitoring or a similar method. Positive mode is the default choice, but negative or polarity switching mode can be employed where necessary.

Data analysis – The objective of targeted analysis is generally to identify quantitative differences. Preprocessing can be applied as for untargeted data sets after which comparisons are made between the isotope labeled standards and the signal of compounds in the sample to estimate the amount of the targeted compound present in the sample.

Fee structure:

  academic rate industry rate
Each analysis will have a start-up fee $300 $600
Price per sample (first 20 samples) $150 $300
Price per sample (samples after first 20) $100 $200
Price per sample required for gradient optimization (if needed/requested) $100 $200
Additional data analysis (per hour) $100 $200


If you are interested in submitting samples for analysis or have any questions about the procedure, sample size or preparation, etc. please contact Adrian Hegeman ([email protected]) for more information.  For unusual samples or large submission we will schedule a quick conference call to discuss logistics and/or running feasibility trials prior to sample analysis.

We will always endeavor to provide results as quickly as possible!  As the analysis time will depend on demand please enquire as to analysis time at the time of sample delivery.