Peak alignment of gas chromatography–mass spectrometry data with deep learning

Journal of Chromatography A ◽

10.1016/j.chroma.2019.460476 ◽

2019 ◽

Vol 1604 ◽

pp. 460476 ◽

Author(s):

Mike Li ◽

X. Rosalind Wang

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Deep Learning ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Peak Alignment ◽

Chromatography Mass Spectrometry

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Coherent point drift peak alignment algorithms using distance and similarity measures for two‐dimensional gas chromatography mass spectrometry data

Journal of Chemometrics ◽

10.1002/cem.3236 ◽

2020 ◽

Vol 34 (8) ◽

Author(s):

Zeyu Li ◽

Seongho Kim ◽

Sikai Zhong ◽

Zichun Zhong ◽

Ikuko Kato ◽

...

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Similarity Measures ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Two Dimensional ◽

Peak Alignment ◽

Chromatography Mass Spectrometry ◽

Alignment Algorithms ◽

Coherent Point Drift

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Unique ion filter ‐ A data reduction tool for chemometric analysis of raw comprehensive two‐dimensional gas chromatography – mass spectrometry data

Journal of Separation Science ◽

10.1002/jssc.202001127 ◽

2021 ◽

Author(s):

Lawrence A. Adutwum ◽

Joanna Koryo Kwao ◽

James J. Harynuk

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Data Reduction ◽

Chemometric Analysis ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Two Dimensional ◽

Chromatography Mass Spectrometry ◽

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Discovery of mass spectral characteristics and automatic identification of wax esters from gas chromatography mass spectrometry data

Journal of Chromatography A ◽

10.1016/j.chroma.2010.03.056 ◽

2010 ◽

Vol 1217 (23) ◽

pp. 3695-3701 ◽

Author(s):

Liang-xiao Zhang ◽

Yi-feng Yun ◽

Yi-zeng Liang ◽

Dong-sheng Cao

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Spectral Characteristics ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Automatic Identification ◽

Mass Spectral ◽

Chromatography Mass Spectrometry

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Extraction of mass spectra free of background and neighboring component contributions from gas chromatography/mass spectrometry data

Analytical Chemistry ◽

10.1021/ac50003a027 ◽

1976 ◽

Vol 48 (9) ◽

pp. 1368-1375 ◽

Author(s):

R. G. Dromey ◽

Mark J. Stefik ◽

Thomas C. Rindfleisch ◽

Alan M. Duffield

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Mass Spectra ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Chromatography Mass Spectrometry

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iMatch: A retention index tool for analysis of gas chromatography–mass spectrometry data

Journal of Chromatography A ◽

10.1016/j.chroma.2011.07.039 ◽

2011 ◽

Vol 1218 (37) ◽

pp. 6522-6530 ◽

Author(s):

Jun Zhang ◽

Aiqin Fang ◽

Bing Wang ◽

Seong Ho Kim ◽

Bogdan Bogdanov ◽

...

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Retention Index ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Chromatography Mass Spectrometry

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Adding Gas Chromatography–Mass Spectrometry Data to a Melting Point and Thin-Layer Chromatography Laboratory

Journal of Chemical Education ◽

10.1021/ed300490x ◽

2012 ◽

Vol 90 (1) ◽

pp. 140-141 ◽

Author(s):

Adam M. Azman ◽

Julie A. Barrett ◽

Megan Darragh ◽

John J. Esteb ◽

LuAnne M. McNulty ◽

...

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Melting Point ◽

Thin Layer Chromatography ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Chromatography Mass Spectrometry ◽

Layer Chromatography

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Validation of a feature-based likelihood ratio method for the SAILR software. Part I: Gas chromatography-mass spectrometry data for comparison of diesel oil samples

Forensic Chemistry ◽

10.1016/j.forc.2021.100375 ◽

2021 ◽

pp. 100375

Author(s):

Jonas Malmborg ◽

Anders Nordgaard

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Likelihood Ratio ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Ratio Method ◽

Chromatography Mass Spectrometry ◽

Feature Based ◽

Likelihood Ratio Method

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Determination of Metabolic Flux Ratios From 13C-Experiments and Gas Chromatography-Mass Spectrometry Data: Protocol and Principles

Metabolomics ◽

10.1385/1-59745-244-0:177 ◽

2006 ◽

pp. 177-198 ◽

Author(s):

Annik Nanchen ◽

Tobias Fuhrer ◽

Uwe Sauer

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Metabolic Flux ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Chromatography Mass Spectrometry

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Interpretation of High-Resolution Gas Chromatography and High-Resolution Gas Chromatography / Mass Spectrometry Data Acquired from Atmospheric Organic Aerosol Samples

Aerosol Science and Technology ◽

10.1080/02786828908959280 ◽

1989 ◽

Vol 10 (2) ◽

pp. 408-420 ◽

Author(s):

Monica A. Mazurek ◽

Glen R. Cass ◽

Bernd R. T. Simoneit

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

High Resolution ◽

Organic Aerosol ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Chromatography Mass Spectrometry ◽

High Resolution Gas Chromatography

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Glass-Capillary-Gas Chromatography/Mass Spectrometry Data of Mono- and Poly-hydroxylated Benz[α]anthracene. Comparison with Benz[α]anthracene Metabolites from Rat Liver Microsomes

Hoppe-Seyler´s Zeitschrift für physiologische Chemie ◽

10.1515/bchm2.1981.362.2.1021 ◽

1981 ◽

Vol 362 (2) ◽

pp. 1021-1030 ◽

Author(s):

Jürgen JACOB ◽

Achim SCHMOLDT ◽

Gernot GRIMMER

Keyword(s):

Mass Spectrometry ◽

Gas Chromatography ◽

Rat Liver ◽

Capillary Gas Chromatography ◽

Liver Microsomes ◽

Mass Spectrometry Data ◽

Gas Chromatography Mass Spectrometry ◽

Rat Liver Microsomes ◽

Glass Capillary ◽

Chromatography Mass Spectrometry

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