UltraMassExplorer

Interactive, browser-based exploration of high resolution mass spectrometric data

Overview

UME

  • is an open access browser-based tool providing a complete high resolution mass spectrometric data pipeline
  • provides a molecular formula algorithm, allows interactive exploration of data, provides many state-of-the-art evaluation parameters and the export of resulting data and figures.
  • comprises an online interface to the chemical database PubChem to facilitate exploration of potential molecular structures
  • simply requires a calibrated mass list and referring mass peak intensities that can be derived from Fourier Transform Ion Cyclotron, Obitrap and Time-of-Flight mass spectrometers

Access UME

Click here to access UltraMassExplorer (beta-version; April 2018):

Support & Download

Example peak list

  • Peak list (csv-file) with 13 FT-ICR-MS analyses (4 areas; 3 samples each; 1 blank): download

R Scripts

  • Build molecular formula library (zip-file)

Video tutorial