Analysis for the determination of a biologic drug’s higher order structure

With the release of Mnova 15.1, we introduce an MCR tool based on the MCR-ALS algorithm for peak purity assessment, providing comprehensive tables and plots to streamline LCMS data analysis and enhance decision-making. This tool is available with the Advanced Chemometrics or BioHOS plugins.

Note: This tool requires an MSChrom plugin license.

These are some of the analysis you can carry out with Mnova BioHOS “ECHOS Analysis”:

• Pairwise intensity comparisons of points with the same coordinates in the reference – and test spectra.
• A regression line is computed for the scatter plot of points. Manual and automatic noise cancellation.
• Adjust threshold for residuals.

With Mnova BioHOS “CCSD Analysis”, you can:

• Match selected peaks in reference and test spectra to calculate CCSD (average and per peak pair).
• Rank test spectra by similarity to the reference.
• Plot CCSD values and amplitude ratios per peak pair for quick inspection.

With Mnova BioHOS “PCA analysis”, you can perform:

• Data management: adjust parameters, binning, checks, filtering, normalization, and scaling.
• Interactive PCA plots linked to spectra.
• Plot templates: Explained Variance, Influence, Scores, Loadings.
• Model building and validation.
• Test new spectra against Reference PCA.

This feature leverages 1D NMR spectra to detect and evaluate small spectral changes, performing detailed statistical analysis.

• Typically uses 1D ¹H spectra.
• Quantifies small differences.
• Statistically treats multiple spectra.