Online

Tool for lipidomic quantification and quality control

QC tool

Qctool
Online

Mass Spectrometry Analysis Tools

LIPID MAPS

by Wellcome trust
Lipidmaps.tools
Online

Exact lipid mass calculator

LipidCalculator

by the Department of Pharmacology at the University of Colorado School of Medicine
LipidCalculator
Online

Former The LipidWeb

LipidHome.co.uk

created and is maintained by William (Bill) W. Christie
Lipidhome
Online

The original and most widely used metabolomic and lipidomic platform

XCMS

XCMS and METLIN developed by The Scripps Research Institute
Anotación 2020 02 01 030618
Online

Compound structure drawing tool / structural search

PubChem

by U.S. National Library of Medicine National Center for Biotechnology Information
PubChem
Offline

Rstudio Logo Blue Gray 250

RStudio is an integrated development environment (IDE) for R. It includes a console, syntax-highlighting editor that supports direct code execution, as well as tools for plotting, history, debugging and workspace management.

Metaboanalyst Logo

MetaboAnalyst contains a total of 12 modules organized into four general categories:

  • Exploratory statistical analysis: general statistics, biomarker analysis, two-factor/time-series analysis, and power analysis
  • Functional enrichment analysis: metabolite set enrichment analysis, metabolic pathway analysis, and pathway activity prediction from MS peaks (mummichog)
  • Data integration & systems biology: biomarker meta-analysis, joint-pathway analysis, and network explorer
  • Data processing & utility functions: compound ID conversion, batch effect correction, lipidomics, and links to several spectra analysis tools
MultiQuant de AB Sciex

To address the needs of modern Clinical Research, MultiQuant™ software has been designed with the goal of improving data processing efficiency, thereby accelerating the process of data review. Integrated within Analyst® software, MultiQuant™ 3.0 software enables the identification and quantification of chemicals of interest in complex samples from data files generated on AB SCIEX triple quadrupole, QTRAP®, and TripleTOF® systems.

Skyline MS

Skyline is a freely-available, open-source Windows client application for building Selected Reaction Monitoring (SRM) / Multiple Reaction Monitoring (MRM), Parallel Reaction Monitoring (PRM), DIA/SWATH and targeted DDA quantitative methods and analyzing the resulting mass spectrometer data. Its flexible configuration supports All Molecules. It aims to employ cutting-edge technologies for creating and iteratively refining targeted methods for large-scale quantitative mass spectrometry studies in life sciences.

Logo Bioconductor

Bioconductor is LC/MS and GC/MS Data Analysis framework for processing and visualization of chromatographically separated and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, mzData and mzML files. Preprocesses data for high-throughput, untargeted analyte profiling.

LipidXplorer

LipidXplorer is the open source software that supports the quantitative characterization of complex lipidomes by interpreting large datasets of shotgun mass spectra. LipidXplorer processes spectra acquired on any type of tandem mass spectrometers; it identifies and quantifies molecular species of any ionizable lipid class by considering any known or assumed molecular fragmentation pathway independently of any resource of reference mass spectra

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