Development of Liquid Chromatographic Retention Index Based on Cocamide Diethanolamine Homologous Series (C(n)-DEA).

ABSTRACT: There is a growing need for indexing and harmonizing retention time (tR) data in liquid chromatography derived under different conditions to aid in the identification of compounds in high resolution mass spectrometry (HRMS) based suspect and nontarget screening of environmental samples. In this study, a rigorously tested, inexpensive, and simple system-independent retention index (RI) approach is presented for liquid chromatography (LC), based on the cocamide diethanolamine homologous series (C(n = 0-23)-DEA). The validation of the CDEA based RI system was checked rigorously on eight different instrumentation and LC conditions. The RI values were modeled using molecular descriptor free technique based on structural barcoding and convolutional neural network deep learning. The effect

SUBMITTER: Aalizadeh R 

PROVIDER: S-EPMC9685593 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature