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Combine NMR and LC/GC/MS data in the same document

  • Open automatically, by simply dragging and dropping, LC/GC/MS data from instruments such as Agilent, Bruker, JEOL, Thermo, and Waters, as well as data in mzData or mzXML formats. (Find the complete list of supported formats here)
  • Automatically or manually integrate peaks in the TIC, MS, and UV/ELSD traces. Automatic peak picking and integration are carried out upon importing the data set.
  • Select mass spectra based on TIC peaks, with / without background subtraction and display them in centroid or profile mode
  • Co-add spectra manually
  • Open NMR and MS data in the same document and analyze and report them together

feature-1

Easily generate EMC/EIC, UV traces and UV spectra

  • Easily generate Extracted Mass/Ion Chromatograms (EMC/EIC) for a given mass range or a certain m/z value
  • Easily generate UV Traces at a given wavelength from a DAD trace.
  • Easily extract UV spectra at selected retention times from a PDA total absorbance chromatogram.

feature-2

Automatic molecule matching for structure confirmation

  • In addition to its many tools for structure confirmation by NMR, implemented in the NMR plugin, molecular match is a useful tool for structure confirmation by LC/GC/MS in Mnova MS.
  • This functionality is extremely fast and easy to use, making this capability available to all users, even complete novices.
  • Import chemical structures and let the software confirm which ones match your experimental data. The match criteria can be customized by selecting the adducts and losses, mass accuracy and score thresholds, etc.
  • To find out more about this feature visit our Molecule Match in Mass Spectrometry Training Resource.

feature-3

Predicting isotope clusters with various adducts and losses for verification of elemental compositions.

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

ms-pred