Tag: Metabolite Identification

Mass Frontier 8.1 Released

Posted on June 6, 2023 7:58 pm by

Mass Frontier 8.1 has just been released!

New Features and improvements are listed below

Fragmentation

  • New SledgeHammer fragmentation algorithm
  • Increased coverage for negative mode compounds
  • Increased speed of fragmentation
  • 2,068 additional fragmentation schemes (54,139)
  • Additional general fragmentation schemes
  • Export custom fragmentation libraries.
  • Use isotopically labeled atoms in fragment pathways

Structure editor

  • Custom adducts
  • Draw structures with multiple charges on multiple atoms
  • Increased the limit of the number of atoms that can be drawn
  • Custom isotopes
  • Import/Export structures with SMILES ID
  • Additional drawing features (bond colors, directional stereobonds, multiple radicals)

Curator

  • Import .sdf file into curator
  • Curation specifics are aligned with myLibrary

Data Manager

  • Quick filter/search spectral libraries (RT/RI, compound class, metadata, structure
  • Save multiple compounds from a library to a single file

Chromatogram processor

  • Copy spectrum to new mzCloud
  • Improved speed when preforming structure and substructure searches

GC-MS support

  • Component detection for GC MS1 data
  • Use RI for library filtering/search

Download a free 60 days trial from here.

A detailed “What’s new” presentation, release notes, and tutorial guides are uploaded in the Resources