AMDIS

Version: 2.71

Website

http://chemdata.nist.gov/dokuwiki/doku.php?id=chemdata:amdis

Description

Automated Mass Spectral Deconvolution and Identification System (AMDIS) provides deconvolution and identification of GC-MS data. It was originally designed for the automatic identification of chemical weapons, but is applicable to all GC-MS data. Firstly, GC-MS data are deconvoluted to extract pure compound peaks free of overlapping signals from the TICs. These pure compound peaks are then matched to the user-defined target library, using additional parameters of retention time and peak shape. There are options for parameter optimisation to select the optimal parameters. There is also the option to use internal standards for retention index, which applies penalties on the match factor for hits that have RIs very different to that of the reference compound.

Functionality

• Preprocessing

Instrument Data Type

• MS/GC-MS

Approaches

Computer Skills

Medium

Software Type

Package

Interface

Graphical User Interface

Operating System (OS)

• Windows

Language

Dependencies

N/A

Input Formats - Open

netCDF

Input Formats - Proprietary

Aglient, Bruker, Finnigan, INFICON, JEOL/Schrader, Kratos, Mach3, MassLynx, PerkinElmer, Schrader/GCMate, Varian, Xcalibur

Published

1996

Last Updated

2012

License

http://chemdata.nist.gov/mass-spc/amdis/downloads/EULA-AMDIS.pdf

Paper

http://www.ncbi.nlm.nih.gov/pubmed/20185625

PMID

20185625