Automated mass spectral deconvolution and identification

Association Fran aise de Normalisation French Association for Standardisation (Paris, France) Automated Mass Spectral Deconvolution and Identification System (NIST)... 

DAGAN, S., Comparison of gas chromatography-pulsed flame photometric detection-mass spectrometry, automated mass spectral deconvolution and identification system and gas chromatography-tandem mass spectrometry as tools for trace level detection and identification, J. Chromatogr., A., 2000,868,229-247. 

Extensive technical measures have been implemented to allow the ISP to protect confidential, commercial, or sensible military information during on-site analysis. These measures include in particular the option of blinding the GC/MS operating software and security level filters of AMDIS (Automated Mass Spectral Deconvolution and Identification System), the GC/MS raw data processing software. These measures can be applied separately or combined, offering the ISP the choice of a gradual restriction of the information revealed to the IT (for details see Chapter 2). 

Therefore, the information obtained, through onsite GC/MS analysis about the identity of compounds present in a sample should be restricted to chemicals relevant to the aim of the inspection. This is achieved by operating the instrument in a specially developed blinded mode, which shows neither the chromatogram nor mass spectra during or after the chromatographic run. Additionally, if the analysis is conducted in blinded mode, the only available postprocessing software is a specifically developed on-site version of AMDIS (Automated Mass Spectral Deconvolution and Identification System). This software works only with the OCAD, which contains only compounds relevant to the CWC thus, it reports exclusively the presence of compounds for which spectra are in this database library. 

AMDIS Automated Mass Spectral Deconvolution and Identification System... 

Detection of a target analyte may be tedious with GC-SIM because signal interference may conceal the signal. A method for mass spectrum extraction of GC-MS data has been incorporated into an automated software program developed by the National Institute of Standards, called Automated Mass Spectral Deconvolution and Identification system (AMDIS). The LEGO corporation has also developed a software program used to resolve overlapped signals from GC-TOF-MS. 

Although GC-MS spectral analyses and compound identification can be performed manually, the effort can be tedious, inefficient, and problematic for highly complex chromatograms. The authors laboratory makes productive use of a software package developed by the US Department of Defense and NIST for international treaty verification. The Automated Mass Spectral Deconvolution and Identification System (AMDIS) incorporates several algorithms to distill pure component spectra and associated data from intricate chromatograms, and then uses that information to assess whether the component can be attributed to a known compound in the reference database. 

Meyer MR, Peters FT, Maurer HH (2010) Automated mass spectral deconvolution and identification system for GC-MS screening for drugs, poisons, and metabolites in urine. Clin Chem 56(4) 575-584... 

Zhang, W., Wu, P., and Li, C. (2006) Study of automated mass spectral deconvolution and identification system (AMDIS) in pesticide residue analysis. Rapid Commun. 

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