scholarly journals A Bi-directional Hierarchical Clustering (BHC) for Peak Matching of Large Mass Spectrometry Data Sets

2021 ◽  
Vol 11 (6) ◽  
pp. 373-379
Author(s):  
Nazanin Zounemat Kermani ◽  
◽  
Xian Yang ◽  
Yike Guo ◽  
James McKenzie ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Hierarchical Clustering ◽  
Large Mass ◽  
Mass Spectrometry Data ◽  
Data Sets

High field FT-ICR mass spectrometry data sets enlighten qualitative DOM alteration in lake sediment porewater profiles

2017 ◽  
Vol 108 ◽  
pp. 51-60 ◽  
Author(s):  
Peter Herzsprung ◽  
Wolf von Tümpling ◽  
Katrin Wendt-Potthoff ◽  
Norbert Hertkorn ◽  
Mourad Harir ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Lake Sediment ◽  
High Field ◽  
Mass Spectrometry Data ◽  
Data Sets ◽  
Ft Icr

PACOM: A Versatile Tool for Integrating, Filtering, Visualizing, and Comparing Multiple Large Mass Spectrometry Proteomics Data Sets

2018 ◽  
Vol 17 (4) ◽  
pp. 1547-1558 ◽  
Author(s):  
Salvador Martínez-Bartolomé ◽  
J. Alberto Medina-Aunon ◽  
Miguel Ángel López-García ◽  
Carmen González-Tejedo ◽  
Gorka Prieto ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Large Mass ◽  
Data Sets ◽  
Proteomics Data ◽  
Versatile Tool

scholarly journals mz5: Space- and Time-efficient Storage of Mass Spectrometry Data Sets

2011 ◽  
Vol 11 (1) ◽  
pp. O111.011379 ◽  
Author(s):  
Mathias Wilhelm ◽  
Marc Kirchner ◽  
Judith A. J. Steen ◽  
Hanno Steen
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectrometry Data ◽  
Data Sets ◽  
Space And Time ◽  
Efficient Storage

scholarly journals Dereplikace látek a de novo charakterizace malých molekul z hmotnostních spekter

2022 ◽  
Vol 116 (1) ◽  
pp. 11-19
Author(s):  
Jiří Novák ◽  
Vladimír Havlíček
Keyword(s):  
Mass Spectrometry ◽  
Small Molecules ◽  
Mass Spectra ◽  
De Novo ◽  
Imaging Mass Spectrometry ◽  
Mass Spectrometry Data ◽  
Data Sets ◽  
Liquid Chromatography Mass Spectrometry ◽  
Imaging Mass Spectrometry Data

We describe the molecular dereplication principles and de novo characterization of small molecules obtained from liquid-chromatography mass spectrometry and imaging mass spectrometry data sets. Our methodology aims at supporting chemists and computer programmers to understand the hidden computing algorithms used for metabolomics mass spectrometry data processing. The approaches have been made available in the open-source tool CycloBranch. The presented tutorial extends the interpretation of mass spectra portfolia described in a series of papers published in Chemicke Listy, issues 2/2020 and 3/2020.

An automated method for peak detection and matching in large gas chromatography-mass spectrometry data sets

2006 ◽  
Vol 20 (8-10) ◽  
pp. 325-340 ◽  
Author(s):  
Sarah J. Dixon ◽  
Richard G. Brereton ◽  
Helena A. Soini ◽  
Milos V. Novotny ◽  
Dustin J. Penn
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Peak Detection ◽  
Mass Spectrometry Data ◽  
Gas Chromatography Mass Spectrometry ◽  
Data Sets ◽  
Automated Method ◽  
Chromatography Mass Spectrometry
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