简介:Anewformulawaspresentedforlocatingdoublebondpositionindodecenols,tetrade-cenols,hexadecenolsandtheiracetates,basedonmassspectraldataofdimethyldisulfidederivatives.Inthisprocedure,molecularionandbasepeakionwereutilizedascharacteristicparameterstoidentifythepositionalisomers.Themethodwastestedwithmassspectraof25dimethyldisulfldederivativesofmono-unsaturatedacetatesandalcohols,andtheoriginaldouble-bondpositionineachisomerwaslocatedunambiguously.
简介:Aretentionpredictionsystem(RPS)ofsevenO-ethylN-isopropylphosphoro(thioureido)-thioatesinreversedphaseHPLCwasinvestigated.Thesystemisbasedonthesolventselectivitytriangleconcept.Threemolecularstructureparameters(hydrophobicityⅡ,substituentlengthL,andsubstituentmaximumwidthB5)wereusedtodescribethequantitativestructure-retentionrelation-ships.Withthesequantitativerelationships,theretentionbehavioursofothereighthomologsfordifferentmobilephasecompositionwerepredicted.Thepredictedvalueswereconsistentwiththemeasuredvalueswithinrelativeerrorof10%,whichmeansthatitispossibletoapplythereportedmethodtopredictretentionvaluesforqualitativepurposesfordifferentmobilephasecompositions.