Modernizing Chemical Analysis
Our success is driven by innovation, integrity, collaboration, and a relentless pursuit of scientific excellence.
Intelligent Peak Deconvolution
The co-elution of compounds during chromatography greatly hampers compound quantification and mass spectra acquisition. By clustering together fragment/adduct ions with similar elution profiles, then using statistical modelling to recover each elution profile, high-quality data can be recovered by our system, even with co-elution.
Improved Detection Sensitivity
Both detection sensitivity and mass accuracy depends on the signal-to-noise ratio. Baseline subtraction is conceptually simple, but tends to be highly manual and lead to variable results. Our system instead use advanced signal processing methods to automatically remove both random and systematic (i.e. baseline) noise, allowing you to get the most out of your instrument.
Automated Molecular Formula Identification
Fundamentally, it is much easier for scientists to reason with ion formulae instead of having to worry about mass-to-charge ratios. That's why our system uses the Parent Subformula Graph method, an innovative technique developed by our founder, to compute ion formulae with minimal manual intervention. These ion formulae are not only displayed for validation purposes, but are also used to improve downstream methods used by our software suite.
Improved Library Utilisation
Library search is designed mainly with "exact matching" in mind. Aside from exact matching, our software suite also includes a specialised similarity search algorithm, capable of determining not just a similarity score, but exactly what substructure/s are likely present in the analyte.
Beyond Library Search
Identifying compounds not in the spectral library tend to be very difficult and time-consuming, because it's based entirely on manual analysis. By using a combination of structural database search and a cutting-edge de novo structure generation algorithm, we can expand your routine workflow beyond the confines of a spectral library.
Robust Result Validation
Reliability is the most important aspects of analytical testing. For each putative compound identified, our software suite outputs "confidence" metrics, to minimise false positive and false negative detection. Each mass spectrum is also annotated with a set of putative fragment/adduct ion structures, making it possible for the analyst to immediately see the "supporting evidence" for the putative identification.
Our Services
We also provide integrated R&D support for chemical, electrochemical and materials innovation, including chemical consultancy, computational chemistry, and chemical modelling to accelerate discovery, design, and validation.
Chemical Consultancy
We help companies work with chemicals in an R&D context. including next-generation electrolytes, membranes, and electrode materials. We combines experimental formulation with detailed analysis to provide actionable insights.
Computational Chemistry
We apply advanced computational tools such as density functional theory (DFT) and molecular dynamics (MD), to understand and predict what is happening at the molecular level, further guiding the choice in chemical application and design.
Chemical Modelling
We devise and implement bespoke kinetic models to simulate the chemical systems given experimental data, allowing fine-grained investigation of such systems with less trial-and-error.