Lipid Quant 2.1: Open-source software for identification and quantification of lipids measured by lipid class separation QTOF high-resolution mass spectrometry methods
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F24%3A39922030" target="_blank" >RIV/00216275:25310/24:39922030 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0169743924001096?via%3Dihub#ack0010" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0169743924001096?via%3Dihub#ack0010</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.chemolab.2024.105169" target="_blank" >10.1016/j.chemolab.2024.105169</a>
Alternative languages
Result language
angličtina
Original language name
Lipid Quant 2.1: Open-source software for identification and quantification of lipids measured by lipid class separation QTOF high-resolution mass spectrometry methods
Original language description
LipidQuant 2.1 is a software written in Matlab, which is designed for the high -throughput processing of large lipidomic data sets measured by lipid class separation coupled with quadrupole time -of -flight (QTOF) highresolution mass spectrometry (MS). The software enables the identification of lipid species based on defined mass accuracy. The main focus is on the right lipidomic quantitation using at least one internal standard per lipid class and the implementation of an automated procedure for Type I and Type II isotopic corrections necessary for the determination of accurate molar concentrations, which is not available for the majority of existing software solutions. LipidQuant 2.1 offers three options for peak assignment, visualization of the isotopic pattern, and automated calculation of m/z for various adduct ions. The initial lipidomic database covers 31 lipid classes with more than 2900 lipid species that occur primarily in the human lipidome, but users have the full flexibility to modify and extend the database according to their needs. All algorithms and the detailed user manual are provided. The reliability of LipidQuant 2.1 is demonstrated on a set of more than 250 biological samples measured by ultrahigh -performance supercritical liquid chromatography (UHPSFC) coupled with QTOF-MS.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10400 - Chemical sciences
Result continuities
Project
<a href="/en/project/GA21-20238S" target="_blank" >GA21-20238S: Multidimensional chromatography - mass spectrometry quantitative workflows in detailed characterization of human plasma lipidome</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemometrics and Intelligent Laboratory Systems
ISSN
0169-7439
e-ISSN
1873-3239
Volume of the periodical
251
Issue of the periodical within the volume
August 2024
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
9
Pages from-to
105169
UT code for WoS article
001260285600001
EID of the result in the Scopus database
2-s2.0-85196628686