Literature for comprehensive GC-MS data evaluation

AMDIS

• AMDIS user guide; W. Gary Mallard and Janiel Reed; [PDF]
• An Integrated Method for Spectrum Extraction and Compound Identification from GC/MS Data; S. E. Stein; [PDF]

MS-Database-Search

• Most of useful information are from James D. Little - there are 8 papers [Link]
• The Critical Evaluation of a Comprehensive Mass Spectral Library ;P. Ausloos, C. L. Clifton, S. G. Lias, A. I. Mikaya, S. E. Stein, and D. V. Tchekhovskoi; O. D. Sparkman,V. Zaikin, Damo Zhu; [PDF]
• A Novel Approach of Retrieval of Mass Spectrum of Mixture; Feng Gan and Yizeng Liang [PDF]
• Library Search of Mass Spectra with a New Matching Algorithm Based on Substructure Similarity; Feng Gan, Jia-hong Yang and Yi-zeng Liang [PDF]
• Neural Network as a Pattern Recognition Tool in Spectroscopy; Cheng Kok Choi; Hong Kong Baptist University [LINK]
  Gives a nice overview about the most MS-SEARCH algorithms like (Probability Based Matching (PBM) method from McLafferty and D.B. Stauffer, similarity search, "dot product" search algorithm from S.E. Stein and D.R. Scott) and others.

GC Retention Indices

• Making sense of nontarget compound data from GC-MS library searches; William P.Eckel
  [PDF] (Lee retention index)
• New Design of the Algorithm for GC Retention Indices of Any Organic Compounds Precalculation from Their Physico-Chemical Constants; Igor G. Zenkevich; [PDF]
• Building a Comprehensive, Evaluated Collection of GC Retention Indices from Literature Data; J.K.Klassen,S.E.Stein,I.G. Zenkevich [PDF]

Chemometrics

• From MS Data via Chemometrics to Chemical Structure Information; K.Varmuza; [PDF]
• Clustering and Classification of Analytical Data; Barry K. Lavine; [PDF]
• Applied Chemometrics: From Chemical Data to Relevant Information; K.Varmuza; [PDF]
• The feasibility of latent variables applied to GC-MS data; F. Brakstad [Scirus]
• Anwendung multivariater Methoden und künstlicher neuronaler Netze zur Klassifizierung von Spirituosen mittels Headspace-GC-MS-Kopplung; P. Kursawe [PDF]

[Home] [What is AMDIS?] [Chemometrics] [People] [External] [SiteMap] [About]

© 2003 Tobias Kind - www.amdis.net - Alle Rechte vorbehalten.