Nontargeted Screening of Food Matrices: Development of a Chemometric Software Strategy To Identify Unknowns in Liquid Chromatography–Mass Spectrometry Data

Food Matrices ◽

Software Strategy

ISFrag: De Novo Recognition of In-Source Fragments for Liquid Chromatography–Mass Spectrometry Data

Analytical Chemistry ◽

10.1021/acs.analchem.1c01644 ◽

2021 ◽

Author(s):

Jian Guo ◽

Sam Shen ◽

Shipei Xing ◽

Huaxu Yu ◽

Tao Huan

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

De Novo ◽

Mass Spectrometry Data ◽

MSTracer: A Machine Learning Software Tool for Peptide Feature Detection from Liquid Chromatography–Mass Spectrometry Data

Journal of Proteome Research ◽

10.1021/acs.jproteome.0c01029 ◽

2021 ◽

Author(s):

Xiangyuan Zeng ◽

Bin Ma

Keyword(s):

Machine Learning ◽

Mass Spectrometry ◽

Liquid Chromatography ◽

Feature Detection ◽

Software Tool ◽

Mass Spectrometry Data ◽

Learning Software

LC-MSsim – a simulation software for liquid chromatography mass spectrometry data

BMC Bioinformatics ◽

10.1186/1471-2105-9-423 ◽

2008 ◽

Vol 9 (1) ◽

Cited By ~ 35

Author(s):

Ole Schulz-Trieglaff ◽

Nico Pfeifer ◽

Clemens Gröpl ◽

Oliver Kohlbacher ◽

Knut Reinert

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

Simulation Software ◽

Mass Spectrometry Data ◽

Using pattern recognition entropy to select mass chromatograms to prepare total ion current chromatograms from raw liquid chromatography–mass spectrometry data

Journal of Chromatography A ◽

10.1016/j.chroma.2018.04.042 ◽

2018 ◽

Vol 1558 ◽

pp. 21-28 ◽

Cited By ~ 4

Author(s):

Shiladitya Chatterjee ◽

George H. Major ◽

Brett Paull ◽

Estrella Sanz Rodriguez ◽

Massoud Kaykhaii ◽

...

Keyword(s):

Mass Spectrometry ◽

Pattern Recognition ◽

Liquid Chromatography ◽

Ion Current ◽

Mass Spectrometry Data ◽

Comparative Urine Analysis by Liquid Chromatography-Mass Spectrometry: Data Processing and Multivariate Statistics

Renal and Urinary Proteomics ◽

10.1002/9783527628612.ch22 ◽

2010 ◽

pp. 281-298

Author(s):

Peter L. Horvatovich ◽

Ramses F.J. Kemperman ◽

Rainer Bischoff

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

Data Processing ◽

Multivariate Statistics ◽

Urine Analysis ◽

Mass Spectrometry Data ◽

GPMS: A Genetic Programming Based Approach to Multiple Alignment of Liquid Chromatography-Mass Spectrometry Data

Applications of Evolutionary Computation - Lecture Notes in Computer Science ◽

10.1007/978-3-662-45523-4_74 ◽

2014 ◽

pp. 915-927 ◽

Cited By ~ 2

Author(s):

Soha Ahmed ◽

Mengjie Zhang ◽

Lifeng Peng

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

Genetic Programming ◽

Multiple Alignment ◽

Mass Spectrometry Data ◽

Differential Protein Expression Analysis via Liquid-Chromatography/Mass-Spectrometry Data Visualization

VIS 05. IEEE Visualization, 2005. ◽

10.1109/visual.2005.1532828 ◽

2006 ◽

Cited By ~ 4

Author(s):

L. Linsen ◽

J. Locherbach ◽

M. Bert ◽

J. Bernhardt ◽

D. Becher

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

Protein Expression ◽

Data Visualization ◽

Expression Analysis ◽

Mass Spectrometry Data ◽

Differential Protein Expression ◽

Differential Protein ◽

Application of sequential paired covariance to liquid chromatography-mass spectrometry data enhancements in both the signal-to-noise ratio and the resolution of analyte peaks in the chromatogram

Journal of Chromatography A ◽

10.1016/s0021-9673(97)00069-1 ◽

1997 ◽

Vol 771 (1-2) ◽

pp. 1-7 ◽

Cited By ~ 12

Author(s):

David C. Muddiman ◽

Baoming M. Huang ◽

Gordon A. Anderson ◽

Alan Rockwood ◽

Steven A. Hofstadler ◽

...

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

Signal To Noise Ratio ◽

Mass Spectrometry Data ◽

Signal To Noise ◽

Noise Ratio

The use of the Durbin-Watson criterion for noise and background reduction of complex liquid chromatography/mass spectrometry data and a new algorithm to determine sample differences

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/j.chemolab.2004.10.008 ◽

2005 ◽

Vol 77 (1-2) ◽

pp. 206-214 ◽

Cited By ~ 19

Author(s):

Willem Windig

Keyword(s):

Mass Spectrometry ◽

Liquid Chromatography ◽

Mass Spectrometry Data ◽

Background Reduction ◽

Complex Liquid

A batch correction method for liquid chromatography–mass spectrometry data that does not depend on quality control samples

Metabolomics ◽

10.1007/s11306-016-0972-2 ◽

2016 ◽

Vol 12 (3) ◽

Cited By ~ 26

Author(s):

Martin Rusilowicz ◽

Michael Dickinson ◽

Adrian Charlton ◽

Simon O’Keefe ◽

Julie Wilson

Keyword(s):

Mass Spectrometry ◽

Quality Control ◽

Liquid Chromatography ◽

Correction Method ◽

Mass Spectrometry Data ◽

Batch Correction ◽

Control Samples