Bibliographic Details
| Title: |
Guide to Semi-Quantitative Non-Targeted Screening Using LC/ESI/HRMS |
| Authors: |
Louise Malm, Emma Palm, Amina Souihi, Merle Plassmann, Jaanus Liigand, Anneli Kruve |
| Source: |
Molecules, Vol 26, Iss 12, p 3524 (2021) |
| Publisher Information: |
MDPI AG, 2021. |
| Publication Year: |
2021 |
| Collection: |
LCC:Organic chemistry |
| Subject Terms: |
Ionization, quantification, decision making, NTS strategies, Organic chemistry, QD241-441 |
| More Details: |
Non-targeted screening (NTS) with reversed phase liquid chromatography electrospray ionization high resolution mass spectrometry (LC/ESI/HRMS) is increasingly employed as an alternative to targeted analysis; however, it is not possible to quantify all compounds found in a sample with analytical standards. As an alternative, semi-quantification strategies are, or at least should be, used to estimate the concentrations of the unknown compounds before final decision making. All steps in the analytical chain, from sample preparation to ionization conditions and data processing can influence the signals obtained, and thus the estimated concentrations. Therefore, each step needs to be considered carefully. Generally, less is more when it comes to choosing sample preparation as well as chromatographic and ionization conditions in NTS. By combining the positive and negative ionization mode, the performance of NTS can be improved, since different compounds ionize better in one or the other mode. Furthermore, NTS gives opportunities for retrospective analysis. In this tutorial, strategies for semi-quantification are described, sources potentially decreasing the signals are identified and possibilities to improve NTS are discussed. Additionally, examples of retrospective analysis are presented. Finally, we present a checklist for carrying out semi-quantitative NTS. |
| Document Type: |
article |
| File Description: |
electronic resource |
| Language: |
English |
| ISSN: |
1420-3049 |
| Relation: |
https://www.mdpi.com/1420-3049/26/12/3524; https://doaj.org/toc/1420-3049 |
| DOI: |
10.3390/molecules26123524 |
| Access URL: |
https://doaj.org/article/f2858b714bad4f00a0677e3cea1b7361 |
| Accession Number: |
edsdoj.f2858b714bad4f00a0677e3cea1b7361 |
| Database: |
Directory of Open Access Journals |
|
Full text is not displayed to guests. |
Login for full access.
|
