Prediction of Retention Data in Gas-Liquid Chromatography from Molecular Formulæ

Nature ◽  
1961 ◽  
Vol 190 (4779) ◽  
pp. 905-906 ◽  
Author(s):  
M. B. EVANS ◽  
J. F. SMITH
1975 ◽  
Vol 58 (5) ◽  
pp. 1037-1050
Author(s):  
John F Thompson ◽  
Jon B Mann ◽  
Alfred O Apodaca ◽  
Edward J Kantor

Abstract Tables of relative retention data are presented for 95 organochlorine and organophosphorus pesticidal compounds at column oven temperatures from 170 to 204°C in 2° increments. Retention values, relative to aldrin or parathion (RRTA A or P) , were found to vary inversely with increasing column temperature for all compounds eluting later than the reference compound, and in direct proportion for those compounds eluting earlier than the fixed reference compound. Studies revealed a linear relationship between column temperature and relative retention ratios; thus, by obtaining precise values by gas-liquid chromatography for a number of pesticidal compounds at 170, 185, and 200°C, a computer program was developed to obtain RRTA A or P values at all 2° increments from 170 to 204CC, the customary limits in the gas-liquid chromatography of pesticides. The tables are valuable in the tentative identification of pesticidal peaks resulting from the chromatography of sample extracts for multiresidue assessment.


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