Computer Processing of Mass-Spectral Data. Part V. Assignment of Formulas to Experimental Masses. Representative Databases for Program FZM

摘要

Program FZM assigns formulas to masses using databases generated with respect to the exp 14 CH sub 2 , exp 50 CF sub 2 , exp 82 CCl sub 2 , and exp 170 Cbr sub 2 homologous-unit (Dendrick) mass Scales by program DBG. Each database consists of formula codes and fractional Kendrick masses grouped into 14 nominal-mass Z series tables. The formula codes in each table are arranged in order of decreasing fractional mass. In order to verify correct implementation of programs DBG and FZM and to allow manual application of the formula-assignment process, a database is reproduced for each homologous unit. The input parameters to program DBG required to generate each database are listed. The process of determining the formulas whose masses lie within a region 2 delta about the experimental mass is illustrated for each database. (ERA citation 08:018348)