ChelomEx

ChelomEx identifies chromatographic features of metal complexes and associated free ligands or other related adducts in high-resolution LC-MS data. A built-in graphical user interface and compound library aid in the efficient evaluation of the results.

If you use ChelomEx for your research, please cite our Analytical Chemistry paper that describes the software (http://dx.doi.org/10.1021/ac503000e).

To comment, send bug reports or suggestions for additional features to be implemented in future versions please send me a message.

The current version ChelomEx 1.2 from 06 January 2016 includes the following changes to the original version (ChelomEx 1.0):
- function to filter discovered isotope patterns after the first analysis step (isotope pattern search), accessible in the Isotope Pattern toolbar (v1.2)
- updates for compatibility with MatLab versions after 2014b (v1.2)
- siderophore database update (v1.1)
- can now also analyze negative mode data (v1.1)
- bug fixes (v1.1)

Features

Discovery of metal chelating agents from complex high-resolution LC-MS datasets
High sensitivity and selectivity through identification of isotope pattern-matched chromatographic features and algorithms to test for chromatographic coherence
An easy-to-use GUI facilitates entering search parameters and aids in evalution of the results
Export of peak features for further targeted analyses of the found chelating agents
A built in compound library suggests compounds as well as simple derivatives and adducts using the found high-resolution mass

Project Samples

Visualization of identified isotope pattern-matched chromatographic features for the metal complex and related free ligands along with corresponding MS1 and MS/MS spectra

Main user interface window with analysis results table

Project Activity

See All Activity >

Follow ChelomEx

ChelomEx Web Site

Other Useful Business Software

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

Rate This Project

User Reviews

Be the first to post a review of ChelomEx!

Additional Project Details

Operating Systems

Mac, Windows

Intended Audience

Science/Research

Programming Language

MATLAB

Related Categories

MATLAB Chemistry Software, MATLAB Bio-Informatics Software

Registered

2014-07-04

Similar Business Software

SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
Spectrus Processor

Multi-technique, vendor-neutral analytical data processing. Analyze and report NMR, LC/MS, GC/MS, HPLC, IR, Raman, DSC, TGA data, and more in one common interface. Extract results quickly and efficiently with built-in tools to assist with processing and interpretation. Search in-house or...

See Software
QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
ChemAnalytical Workbook

Store & Share Live Analytical Data from Any Technique and Data Format. ACD/ChemAnalytical Workbook helps you centralize your analytical data. Manage data from different techniques and formats, all in one application. Create a database of analytical data—LC/MS, GC/MS, 1D & 2D NMR, UV, IR, and...

See Software
MS Workbook Suite

One software for all your mass spectral data analysis and management. Quickly detect, distinguish, identify, and characterize components. ACD/MS Workbook Suite is an all-in-one package for MS data handling. Process MS, LC/MS, and GC/MS data acquired with instruments from any major vendor....

See Software
HSI Donesafe

HSI Donesafe is a no-code, cloud-based EHS software that simplifies safety, compliance, and risk management, transforming complex processes into user-friendly workflows. Trusted by industries worldwide, Donesafe allows organizations to track, manage, and report on essential EHS functions from...

See Software