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EXCEL在气相色谱-质谱检测中的应用
引用本文:刘玉龙,王苏明,刘菲,陈宏坤,范俊欣.EXCEL在气相色谱-质谱检测中的应用[J].岩矿测试,2011,30(1):116-120.
作者姓名:刘玉龙  王苏明  刘菲  陈宏坤  范俊欣
作者单位:1. 中国石油集团安全环保技术研究院,北京100085;中国地质大学(北京)水资源与环境工程北京市重点实验室,北京100083
2. 国家地质实验测试中心,北京,100037
3. 中国地质大学(北京)水资源与环境工程北京市重点实验室,北京,100083
4. 中国石油集团安全环保技术研究院,北京,100085
基金项目:水体污染控制与治理科技重大专项资助,国土资源地质大调查项目资助
摘    要:为了实现自动处理有机色谱分析数据,以Agilent 6890/5973N气相色谱-质谱仪检测地下水中挥发性有机化合物和多环芳烃的数据源为基础,编写了EXCEL应用程序,按批进行数据自动汇总、定性确认和结果计算,设置了对误确认数据的可逆恢复功能;对实验室空白、野外空白、实验室空白加标、实验室平行样、样品基体加标和质控样品回收率等各项质量控制指标进行统计和评价,并对分析方法长期性能的稳定性进行评价;同时生成质量控制报告,提供向数据库录入数据功能。

关 键 词:气相色谱-质谱法  EXCEL应用  质量控制  分析方法长期性能  数据确认
收稿时间:2009/9/13 0:00:00
修稿时间:2010/1/18 0:00:00

Application of EXCEL in Gas Chromatography-Mass Spectrometic Analysis
LIU Yu-long,WANG Su-ming,LIU Fei,CHEN Hong-kun and FAN Jun-xin.Application of EXCEL in Gas Chromatography-Mass Spectrometic Analysis[J].Rock and Mineral Analysis,2011,30(1):116-120.
Authors:LIU Yu-long  WANG Su-ming  LIU Fei  CHEN Hong-kun and FAN Jun-xin
Institution:Research Institute of Safety and Environmental Technology, China National Petroleum Corporation (CNPC), Beijing 100085, China; Beijing Key Laboratory of Water Resources and Environmental Engineering, China University of Geosciences (Beijing), Beijing 100083, China;National Research Center for Geoanalysis, Beijing 100037, China;Beijing Key Laboratory of Water Resources and Environmental Engineering, China University of Geosciences (Beijing), Beijing 100083, China;Research Institute of Safety and Environmental Technology, China National Petroleum Corporation (CNPC), Beijing 100085, China;Research Institute of Safety and Environmental Technology, China National Petroleum Corporation (CNPC), Beijing 100085, China
Abstract:An EXCEL program for data processing and quality evaluation in determination of volatile organic compounds and polycyclic aromatic hydrocarbons in groundwater by gas chromatography-mass spectrometry (GC-MS) based on the Macros (VBA) was completed. The program provides the functions of source-data gathering from an Agilent 6890-5973N GC-MS, qualitative identification of compounds, calculation of results and reversibly dealing with incorrect confirmed data based on Q-value limits (as a measurement of qualifier ratio). The program also provides the functions of statistics and evaluation for various quality control indexes, such as laboratory reagent blanks, field reagent blanks, reproducibility deviations of laboratory duplicates, recovery of standard addition of the samples, recovery of quality control samples and long-term performance of the analytical method. It also provides functions of forming quality control reports and transferring the data to a database.
Keywords:gas chromatography-mass spectrometry  EXCEL application  quality control  long-term performance of the analytical method  compound identification
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