FRAG for Windows

Introduction

FRAG for Windows is an arithmetic program which calculates all the possible ways of selecting atoms, so that the sum of their mass numbers equals an input fragment mass.

At low resolution, integer mass, NH2 and O have the same mass of 16.  N2 , CO and C2H4 all have the same mass of 28.  CF and P have the same mass of 31.  When interpreting a low-resolution mass spectrum, how can the chemist be sure to think of all the relevant possibilities?
 

Use of FRAG with PAT for Windows
Limiting the number of impossible assignments
 

Using FRAG
Setup
History

Use of FRAG with PAT for Windows

When the peaks of a low-resolution mass spectrum are to be assigned to molecular fragments, a useful first step is to use information from isotope patterns produced by any elements in the fragment which have more than one isotope of high abundance, e.g. chlorine, bromine, boron, zinc, or some of the transition elements Limiting the number of impossible assignments
 

Using FRAG
Setup
History

Limiting the number of impossible assignments for organic fragment ions

Use of FRAG with PAT for Windows

Setup
History

Using FRAG

Entering the isotope data

Assigning a fragment mass

Introduction
Setup

History

Introduction
Using FRAG

Setup