IMatch: A retention index tool for analysis of gas chromatography-mass spectrometry data

Journal of Chromatography A

Volumn 1218, Issue 37, 2011, Pages 6522-6530

  Zhang, Jun ^a   Fang, Aiqin ^a   Wang, Bing ^a   Kim, Seong Ho ^a   Bogdanov, Bogdan ^a   Zhou, Zhanxiang ^b   McClain, Craig ^b,c   Zhang, Xiang ^a  

^a UNIVERSITY OF LOUISVILLE   (United States)

^b University of Louisville School of Medicine   (United States)

^c VETERANS AFFAIRS MEDICAL CENTER   (United States)

Author keywords

Empirical distribution function; GC MS; Identification; Retention index

Indexed keywords

ANALYSIS RESULTS; CAPILLARY COLUMNS; COMPLEX CONDITION; DATA TYPE; ELECTRON IONIZATION; EMPIRICAL DISTRIBUTION FUNCTIONS; EXPERIMENTAL DATA; EXPERIMENTAL PARAMETERS; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; GC-MS; ISOTHERMAL CONDITIONS; LINEAR RETENTION INDICES; MASS SPECTRAL; MEAN VALUES; NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY; NORMAL ALKANE; POLAR COLUMNS; RAT PLASMA; RETENTION INDEX; SOFTWARE PROGRAM;

DISTRIBUTION FUNCTIONS; IONIZATION OF GASES; MASS SPECTROMETRY; PARAFFINS; STANDARDS;

GAS CHROMATOGRAPHY;

1,4 DICHLOROBENZENE; ACENAPHTHENE; CHRYSENE; NAPHTHALENE; PERYLENE; PHENANTHRENE; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG;

ANALYTICAL PARAMETERS; ARTICLE; CHEMICAL ANALYSIS; COLUMN TEMPERATURE; COMPUTER PROGRAM; CONTROLLED STUDY; DATA ANALYSIS; DATA BASE; FALSE NEGATIVE RESULT; FALSE POSITIVE RESULT; ISOTHERM; KOVATS RETENTION INDEX; LINEAR RETENTION INDEX; MASS FRAGMENTOGRAPHY; METABOLITE; MOLECULAR IDENTIFICATION; NORMAL ALKANE RETENTION INDEX; PRIORITY JOURNAL; RETENTION INDEX; TEMPERATURE; TEMPERATURE GRADIENT;

ANIMALS; DATA INTERPRETATION, STATISTICAL; DATABASES, FACTUAL; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; MODELS, CHEMICAL; RATS; REFERENCE STANDARDS; SOFTWARE;

RATTUS;

EID: 80051906517     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2011.07.039     Document Type: Article

References (33)

1. Stein S.E. J. Am. Soc. Mass Spectrom. 1999, 10:770.
2. Smith C.A., Want E.J., O'Maille G., Abagyan R., Siuzdak G. Anal. Chem. 2006, 78:779.
3. Halket J.M., Przyborowska A., Stein S.E., Mallard W.G., Down S., Chalmers R.A. Rapid Commun. Mass Spectrom. 1999, 13:279.
4. Kováts E. Helv. Chim. Acta 1958, 41:1915.
5. van Den Dool H., Dec.Kratz P. J. Chromatogr. 1963, 11:463.
6. Poole C.F., Kollie T.O., Poole S.K. Chromatographia 1992, 34:281.
7. Smith D.H., Achenbach M., Yeager W.J., Anderson P.J., Fitch W.L., Rindfleisch T.C. Anal. Chem. 1977, 49:1623.
8. Zenkevich I.G. J. Ecol. Chem. 1994, 3:111.
9. Babushok V.I., Linstrom P.J., Reed J.J., Zenkevich I.G., Brown R.L., Mallard W.G., Stein S.E. J. Chromatogr. A 2007, 1157:414.
10. Richmond R. J. Chromatogr. A 1997, 758:319.
11. Kind T., Wohlgemuth G., Lee D.Y., Lu Y., Palazoglu M., Shahbaz S., Fiehn O. Anal. Chem. 2009, 81:10038.
12. S.E. Stein, Retention Indices in NIST Chemistry WebBook. NIST Standard Reference Database Number 69, versions 2005 and 2008, 2008.
13. The Sadtler Standard Gas Chromatography Retention Index Library Sadtler-Heyden, Philadelphia, PA, 1986.
14. Pacakova V., Feltl L. Chromatographic Retention Indices and Aid to Identification of Organic Compounds 1992, Ellies Horwood, New York.
15. Zenkevich I.G., Babushok V.I., Linstrom P.J., White E., Stein S.E. J. Chromatogr. A 2009, 1216:6651.
16. Hancock T., Put R., Coomans D., Vander Heyden Y., Everingham Y. Chemom. Intell. Lab. Syst. 2005, 76:185.
17. Garkani-Nejad Z., Karlovits M., Demuth W., Stimpfl T., Vycudilik W., Jalali-Heravi M., Varmuza K. J. Chromatogr. A 2004, 1028:287.
18. Mihaleva V.V., Verhoeven H.A., de Vos R.C.H., Hall R.D., van Ham R.C.H.J. Bioinformatics 2009, 25:787.
19. Heberger K. J. Chromatogr. A 2007, 1158:273.
20. Kaliszan R. Chem. Rev. 2007, 107:3212.
21. Huang X.D., Regnier F.E. Anal. Chem. 2008, 80:107.
22. Lee M.L., Vassilaros D.L., White C.M., Novotny M. Anal. Chem. 1979, 51:768.
23. Castello G., Moretti P., Vezzani S. J. Chromatogr. A 2009, 1216:1607.
24. Babushok V.I., Linstrom P.J. Chromatographia 2004, 60:725.
25. Babushok V.I., Linstrom P.J. Abstr. Pap. Am. Chem. S. 2004, 228:U124.
26. Stein S.E., Babushok V.I., Brown R.L., Linstrom P.J. J. Chem. Inf. Model. 2007, 47:975.
27. Hogg R.V., Ledolter J. Engineering Statistics 1987, MacMillan, New York.
28. Heberger K. Anal. Chim. Acta 1989, 223:161.
29. Stephens M.A. J. Am. Stat. Assoc. 1974, 69:730.
30. Wallis K.A. J. Am. Stat. Assoc. 1952, 47:583.
31. Grubbs F.E. Technometrics 1969, 11:1.
32. Cramers C.A., Janssen H.G., van Deursen M.M., Leclercq P.A. J. Chromatogr. A 1999, 856:315.
33. Strehmel N., Hummel J., Erban A., Strassburg K., Kopka J. J. Chromatogr. B 2008, 871:182.