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Can I read Scalable Analysis of Untargeted LC-HRMS Data by Means of SQL Database Archiving on EtoBox?
Scalable Analysis of Untargeted LC-HRMS Data by Means of SQL Database Archiving by Marie Mardal; Petur W. Dalsgaard; Brian S. Rasmussen; Kristian Linnet; Christian B. Mollerup is a Chemistry article available to read on EtoBox.
What is Scalable Analysis of Untargeted LC-HRMS Data by Means of SQL Database Archiving about?
Liquid chromatography-high-resolution mass spectrometry (LC-HRMS) is widely used to detect chemicals with a broad range of physiochemical properties in complex biological samples. However, the current data analysis strategies are not sufficiently scalable because of data complexity and amplitude. In this article, we report a novel data analysis strategy for HRMS data founded on structured query language database archiving. A database called ScreenDB was populated with parsed untargeted LC-HRMS data after peak deconvolution from forensic drug screening data. The data were acquired using the same analytical method over 8 years. ScreenDB currently holds data from around 40,000 data files, including forensic cases and quality control samples that can be readily sliced and diced across data layers. Long-term monitoring of system performance, retrospective data analysis for new targets, and identification of alternative analytical targets for poorly ionized analytes are examples of ScreenDB applications. These examples demonstrate that ScreenDB makes a significant improvement to forensic services and that the concept has potential for broad applications for all large-scale biomonitoring
Who reads Scalable Analysis of Untargeted LC-HRMS Data by Means of SQL Database Archiving?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Marie Mardal; Petur W. Dalsgaard; Brian S. Rasmussen; Kristian Linnet; Christian B. Mollerup
- Publisher
- American Chemical Society (ACS)
- Published
- 2023
- Language
- EN
- Field
- Chemistry (Physical Sciences)