Name: Calculate Monoisotopic Mass
Author: June Snedecor
Version: 1.0

Created: 02/2008

Purpose: This shows how to calculate the lowest stable mass for a molecule (monoisotopic mass). This can come in handy for mass spectrometry applications.

Requirements: Pipeline Pilot 6.0 or later
O/S: Windows and Linux
Limitations: None known

Keyword: Mass spectrometry, exact mass, monoisotope peak
Contents: calculate_lowest_mass.xml, isotope_abundance_3.txt

Installation:

1. Unzip the archive.
2. Import the protocol into Pipeline Pilot
3. Copy isotope_abundance_3.txt to the server and point to it in the first pipeline.
4. Point to any SDF file in second Pipeline.

Note: the isotope abundances found here are from the University of Alberta: http://www.chem.ualberta.ca/~massspec/atomic_mass_abund.pdf