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Journal
2015 | 13 | 1 |
Article title

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

Content
Title variants
Languages of publication
EN
Abstracts
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
Publisher

Journal
Year
Volume
13
Issue
1
Physical description
Dates
accepted
1 - 1 - 2015
received
1 - 10 - 2014
online
6 - 2 - 2015
Contributors
  • Department of Medicinal
    Chemistry, Pharmaceutical Faculty, Medical University of Lublin,
    Jaczewskiego 4, 20-090 Lublin, Poland, robert.skibinski@umlub.pl
  • Department of Medicinal
    Chemistry, Pharmaceutical Faculty, Medical University of Lublin,
    Jaczewskiego 4, 20-090 Lublin, Poland
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_1515_chem-2015-0096
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