Optimization of Data Acquisition and Sample Preparation Methods for LC-MS Urine Metabolomic Analysis

• Autorzy: Robert Skibiński , Łukasz Komsta
• Języki publikacji: EN

Abstrakty

EN

Nowadays, chromatographic methods coupled with mass spectrometry are the most commonly used tools in metabolomics studies. These methods are currently being developed and various techniques and strategies are proposed for the profiling analysis of biological samples. However, the most important thing used to maximize the number of entities in the recorded profiles is the optimization of sample preparation procedure and the data acquisition method. Therefore, ultra high performance liquid chromatography coupled with accurate quadrupoletime- of-flight (Q-TOF) mass spectrometry was used for the comparison of urine metabolomic profiles obtained by the use of various spectral data acquisition methods. The most often used method of registration of metabolomics data acquisition – TOF (MS) was compared with the fast polarity switching MS and auto MS/MS methods with the use of multivariate chemometric analysis (PCA). In all the cases both ionization mode (positive and negative) were studied and the number of the identified compounds was compared. Additionally, various urine sample preparation procedures were tested and it was found that the addition of organic solvents to the sample noticeably reduces the number of entities in the registered profiles. It was also noticed that the auto MS/MS method is the least efficient way to register metabolomic profiles.

EN

Słowa kluczowe

EN

UHPLC; Q-TOF; MS/MS; fast polarity switching; metabolomics

• Czasopismo: Open Chemistry
• Rocznik: 2015
• Tom: 13
• Numer: 1

Daty

otrzymano

2014-10-01

zaakceptowano

2015-01-01

online

2015-02-06

Twórcy

autor

Robert Skibiński

• Department of Medicinal
  Chemistry, Pharmaceutical Faculty, Medical University of Lublin,
  Jaczewskiego 4, 20-090 Lublin, Poland,

autor

Łukasz Komsta

• Department of Medicinal
  Chemistry, Pharmaceutical Faculty, Medical University of Lublin,
  Jaczewskiego 4, 20-090 Lublin, Poland

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Identyfikatory

DOI

10.1515/chem-2015-0096