Supplementary data for the article: “Pyridinium-based ionic liquids as gas chromatographic stationary phases: chromatographic behavior, a data set for quantitative structure-retention relationships, and an application for non-target analysis”

Supplementary data for the article: “Pyridinium-based ionic liquids as
gas chromatographic stationary phases: chromatographic behavior, a data
set for quantitative structure-retention relationships, and an
application for non-target analysis”.<br><br>This repository contains a
data set of the gas chromatographic retention data (n-alkane retention
indices and retention times) for various oxygen-containing organic
compounds and three ionic liquid-based stationary phases. The repository
contains the following files: the data.xls file contains the data set,
and the info.pdf file contains further information about data set
acquisition.<br><br>Columns in the data.xls file:<br>SMILES – string representation of the molecule structure (SMILES)<br>RI – n-alkane-based retention index<br>RT – retention time in minutes<br>Name – name of the molecule<br><br>Three pages in the data.xls file correspond to three ionic liquid-based stationary phases.

本内容为下述文章的补充数据：《基于吡啶鎓的离子液体用作气相色谱固定相：色谱行为、定量结构-保留关系数据集及非靶向分析应用》。<br><br>本仓库包含针对多种含氧有机化合物以及三类离子液体固定相的气相色谱保留数据（正构烷烃保留指数与保留时间）数据集。本仓库包含如下文件：data.xls 文件存储该数据集，info.pdf 文件则包含数据集采集的详细补充信息。<br><br>data.xls 文件中的列字段如下：<br>SMILES——分子结构的字符串表示形式（简化分子线性输入规范，SMILES）<br>RI——基于正构烷烃的保留指数<br>RT——以分钟为单位的保留时间<br>Name——分子名称<br><br>data.xls 文件中的三个工作表分别对应三类离子液体固定相。