Process, analyze and report your LC/GC-MS data from your different instruments

MSChrom now integrates the Multivariate Curve Resolution – Alternating Least Squares (MCR-ALS) algorithm for Peak Purity Assessment, streamlining decision-making. This new mode, available within the Peak Purity Options, can be applied to any chromatographic channel with spectral information. Mnova further enhances this capability by enabling the combination of multiple chromatographic channels, improving both reliability and performance.

With the integration of MCR mode in MSChrom for Peak Purity Assessment, you can now visualize detailed results within the Advanced Chemometrics or BioHOS plugins. Access comprehensive tables and plots for in-depth analysis, enabling more informed decision-making.
Note: This capability requires an additional license for the Advanced Chemometrics or BioHOS plugin.

With Mnova 15.1 the Molecule Match Scoring tool has been enhanced with the introduction of a new Mass Purity Threshold setting in the Molecule Match Settings of MSChrom. Matches with a mass purity below this threshold are ignored, effectively eliminating chance matches and giving more reliable results. In addition, a new threshold option has been added to the Molecule Match Settings for the number of lines in the Isotope Cluster to use in the matching stage. This setting improves match reliability for low S/N or heavy threshold data as is common in open access setups.

Automatically open analytical data from instruments like Agilent, Bruker, JEOL, Thermo, Waters, or mzData/mzXML formats (see MSChrom supported formats).

Integrate peaks in TIC, MS, and UV/ELSD traces (auto or manual).

Select mass spectra based on TIC peaks, with or without background subtraction, and display in centroid or profile mode.

Co-add mass spectra manually, and open NMR and MSChrom data in the same document for combined analysis and reporting.

Generate Extracted Mass/Ion Chromatograms (EMC/EIC) for a given mass range or a certain m/z value.

You can also generate UV traces at a given wavelength from a DAD trace.

It is very simple to extract UV spectra at selected retention times from a PDA total absorbance chromatogram.

This new feature is designed to facilitate background subtraction in your datasets, offering the capability to apply mass spectra and UV subtraction to lower impurities and noisy common peaks obtained from your analytical system, etc. to achieve more precise data analysis.

MSChrom introduces a new Enhanced Peak Picking Algorithm, an alternative to the Classic algorithm, with features like Baseline Correction, smoothing, and Saturated Levels to handle overloaded peaks.

The new Blind Regions tool allows selective exclusion of unwanted regions, such as solvent fronts in LC or column bleeding in GC, improving reproducibility and saving time.

Alongside its NMR structure confirmation tools, the NMR plugin offers Molecular Match for LC/GC/MS in Mnova MS. This feature is fast and user-friendly, accessible even to novices.

Import chemical structures, and the software will confirm matches with your experimental data. Customize match criteria by selecting adducts, losses, mass accuracy, score thresholds, and more.

The feature allows the user to propose one or multiple molecular formulae and predict their mass peaks with all pre-defined list of adducts or losses.

Mnova MS predicts a list of molecular ion and isotopic peaks, and automatically matches the predicted peaks with the experimental peaks (if available).

You can choose which prediction (with desired adduct or loss) to display on the spectrum for comparison.