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However, if you require a broad spectral range and/or a high resolution you should aim for a wide detector (typically 1/1 or 25.8 mm). VKSim - create van Krevelen diagrams and simulate different reaction pathways for complex mixtures In general, if you need a compact spectrometer you should aim for a short detector (typically 1/4 or 6.4 mm).Kendrick Mass Defect Tool - create Kendrick mass defect plots from data.Method Digester - view Method files for mass spectrometers manufactured by Bruker Daltonics.From ground testing, we calculate the physical parameters essential for general. Calibration HelpeR - create reference lists for calibrating mass spectra Several mass analyzers are often combined in one mass spectrometer to achieve different separation, resolution and detection goals. The Medium Resolution Spectrometer (MRS) of MIRI is an integral field.DBE and Z - calculate the double bond equivalents (DBE) or hydrogen deficiency (Z) from a molecular formula.

The basic principle is that each compound absorbs or transmits light over a certain range of wavelength.

Mass, m/z, and mass errors - from observed and theoretical m/z values, calculate the mass error in parts per million (ppm), calculate the theoretical m/z from a molecular formula, or calculate the m/z range for an m/z of interest plus/minus a mass error in ppm. Spectrophotometry is a method to measure how much a chemical substance absorbs light by measuring the intensity of light as a beam of light passes through sample solution.

FTICR calculations - for Fourier transform ion cyclotron resonance (FTICR) mass spectrometry, calculate resolving power and frequency for a given peak, based upon instrument parameters, and the acquisition time.

This section contains tools for common calculations in mass spectrometry.

Spectrometer resolution calculator