MSChrom

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.

Sample, 2, and blank, 1, used to apply MS Background Subtraction and the result, 3.

• Now, MSChrom includes a new Enhanced Peak Picking Algorithm providing an alternative to the Classic algorithm used in previous versions of MSChrom. Within Enhanced peak picking algorithm new settings are available to reproduce your best results in terms of detection and integration, including Baseline Correction, smoothing features, and a new functionality based on Saturated levels, where users can set an abundance threshold to identify those overloaded peaks due to detector saturation, and perform corrections on them.

• Introducing the new Blind Regions tool-a highly beneficial addition. This tool enables the selective exclusion of those undesired regions from chromatograms during analytical processes as peak picking or any general data treatment. Blind Regions will remain ignored saving time, resources, providing better reproducible results. It proves especially helpful in cases where challenges arise in specific regions (solvent front in LC, column bleeding in GC, etc.) or, for instance, when opting to discard the limits of the chromatogram.

Chromatographic Peak Detection Settings panel and Blind Regions table displayed after peak picking process and applying two blind regions on the chromatogram.

• Automatically open analytical data from instruments like Agilent, Bruker, JEOL, Thermo, and Waters, along with data in mzData or mzXML formats (refer to supported formats here).
• Integrate peaks in TIC, MS, and UV/ELSD traces, either automatically or manually.
• Choose mass spectra based on TIC peaks, with or without background subtraction, and display them in either centroid or profile mode.
• Manually co-add mass spectra, and seamlessly analyze and report NMR and MS data together in the same document

• Beyond its extensive NMR structure confirmation tools within the NMR plugin, Mnova MSChrom introduces the molecular match feature, an invaluable resource for verifying structures through LC/GC/MS analysis.
• This functionality is exceptionally swift and user-friendly, ensuring accessibility for all users, including those new to the field.
• Import chemical structures and let the software automatically confirm matches with your experimental data. Customize match criteria by selecting adducts, losses, mass accuracy, score thresholds, etc.

• The feature enables users to propose one or multiple molecular formulas and anticipate their mass peaks using a predefined list of adducts or losses.
• Mnova MSChrom generates a list of molecular ion and isotopic peaks, automatically aligning them with experimental peaks, if present.
• Customize the display by choosing the desired prediction, along with the corresponding adduct or loss, for comparison on the spectrum.