ALLocator

Version: 1

Website

https://allocator.cebitec.uni-bielefeld.de/landing.htm

Description

This is designed for the analysis of LC-ESI-MS data, including data which has been 13C labelled. It includes both pre-processing, interpretation and metabolite identification. Peaks are detected using XCMS, spectra can then be deconvoluted using either CAMERA or ALLocatorSD and then KEGG Compounds for putative identification and pseudo fragment spectra can be matched against MassBank. ALLocatorSD is able to process 13C labelled data, whereas CAMERA is not. Also CAMERA and ALLocatorSD used different predefined lists of adducts and neutral losses.

Functionality

• Preprocessing

Instrument Data Type

• MS/LC-MS/LC-ESI-MS

Approaches

Computer Skills

Basic

Software Type

Web App

Interface

Web user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Java, R, JavaScript

Dependencies

N/A

Input Formats - Open

mzData, mzXML, netCDF

Input Formats - Proprietary

N/A

Published

2014

Last Updated

2014

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/25426929

PMID

25426929