SpADS: An R Script for Mass Spectrometry Data Preprocessing before Data Mining

2013 ◽  
Vol 06 (05) ◽  
Author(s):  
Luca Belmonte
Keyword(s):  
Mass Spectrometry ◽  
Data Mining ◽  
Data Preprocessing ◽  
Mass Spectrometry Data

A collection of open source applications for mass spectrometry data mining

PROTEOMICS ◽  
2014 ◽  
Vol 14 (20) ◽  
pp. 2275-2279 ◽  
Author(s):  
Óscar Gallardo ◽  
David Ovelleiro ◽  
Marina Gay ◽  
Montserrat Carrascal ◽  
Joaquin Abian
Keyword(s):  
Mass Spectrometry ◽  
Data Mining ◽  
Open Source ◽  
Mass Spectrometry Data

Advancements in capturing and mining mass spectrometry data are transforming natural products research

2021 ◽  
Author(s):  
Scott A. Jarmusch ◽  
Justin J. J. van der Hooft ◽  
Pieter C. Dorrestein ◽  
Alan K. Jarmusch
Keyword(s):  
Mass Spectrometry ◽  
Data Mining ◽  
Natural Products ◽  
Data Analysis ◽  
Community Participation ◽  
Mass Spectrometry Data ◽  
Metabolomics Data ◽  
Analysis Tools ◽  
Public Data ◽  
Potential Use

This review covers the current and potential use of mass spectrometry-based metabolomics data mining in natural products. Public data, metadata, databases and data analysis tools are critical. The value and success of data mining rely on community participation.

scholarly journals Fast Elastic Peak Detection for Mass Spectrometry Data Mining

2012 ◽  
Vol 24 (4) ◽  
pp. 634-648 ◽  
Author(s):  
Xin Zhang ◽  
Dennis E. Shasha ◽  
Yang Song ◽  
Jason T. L. Wang
Keyword(s):  
Mass Spectrometry ◽  
Data Mining ◽  
Peak Detection ◽  
Mass Spectrometry Data ◽  
Elastic Peak

MSPtool: A Versatile Tool for Mass Spectrometry Data Preprocessing

2008 ◽  
Author(s):  
Francesco Gullo ◽  
Giovanni Ponti ◽  
Andrea Tagarelli ◽  
Giuseppe Tradigo ◽  
Pierangelo Veltri
Keyword(s):  
Mass Spectrometry ◽  
Data Preprocessing ◽  
Mass Spectrometry Data ◽  
Versatile Tool

scholarly journals Untargeted high-resolution paired mass distance data mining for retrieving general chemical relationships

2020 ◽  
Vol 3 (1) ◽  
Author(s):  
Miao Yu ◽  
Lauren Petrick
Keyword(s):  
Mass Spectrometry ◽  
Data Mining ◽  
High Resolution ◽  
Small Molecules ◽  
Chemical Reactions ◽  
A Priori ◽  
Mass Spectrometry Data ◽  
Reaction Discovery ◽  
Biological Fate ◽  
General Chemical

Abstract Untargeted metabolomics analysis captures chemical reactions among small molecules. Common mass spectrometry-based metabolomics workflows first identify the small molecules significantly associated with the outcome of interest, then begin exploring their biochemical relationships to understand biological fate or impact. We suggest an alternative by which general chemical relationships including abiotic reactions can be directly retrieved through untargeted high-resolution paired mass distance (PMD) analysis without a priori knowledge of the identities of participating compounds. PMDs calculated from the mass spectrometry data are linked to chemical reactions obtained via data mining of small molecule and reaction databases, i.e. ‘PMD-based reactomics’. We demonstrate applications of PMD-based reactomics including PMD network analysis, source appointment of unknown compounds, and biomarker reaction discovery as complements to compound discovery analyses used in traditional untargeted workflows. An R implementation of reactomics analysis and the reaction/PMD databases is available as the pmd package.

154: Integration of TPSA and High-Throughput Mass Spectrometry Data Improves Prostate Cancer Prediction

2007 ◽  
Vol 177 (4S) ◽  
pp. 52-53
Author(s):  
Stefano Ongarello ◽  
Eberhard Steiner ◽  
Regina Achleitner ◽  
Isabel Feuerstein ◽  
Birgit Stenzel ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Mass Spectrometry ◽  
High Throughput ◽  
Mass Spectrometry Data ◽  
Cancer Prediction

Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data.

2007 ◽  
Vol 3 (2) ◽  
pp. 127-147 ◽  
Author(s):  
Anestis Antoniadis ◽  
Jeremie Bigot ◽  
Sophie Lambert-Lacroix ◽  
Frederique Letue
Keyword(s):  
Mass Spectrometry ◽  
Time Of Flight ◽  
Mass Spectrometry Data ◽  
Processing Methods ◽  
Flight Mass Spectrometry
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