Component detection algorithm

The component detection algorithm (CODA) is a name for a type of LC-MS^[1]^[2] and chemometrics^[3] software algorithm focused on detecting peaks in noisy chromatograms (TIC) often obtained using the electrospray ionization technique.

The implementation of the algorithm from one piece of mass spectrometry software to another differs. Some implementations need clean chromatograms to substruct background.

References

^ Windig, Willem; Phalp, J. Martin; Payne, Alan W. (1996). "A Noise and Background Reduction Method for Component Detection in Liquid Chromatography/Mass Spectrometry". Analytical Chemistry. 68 (20): 3602–3606. doi:10.1021/ac960435y.
^ Christin, Christin; Smilde, Age K.; Hoefsloot, Huub C. J.; Suits, Frank; Bischoff, Rainer; Horvatovich, Peter L. (2008). "Optimized Time Alignment Algorithm for LC−MS Data: Correlation Optimized Warping Using Component Detection Algorithm-Selected Mass Chromatograms". Analytical Chemistry. 80 (18): 7012–7021. doi:10.1021/ac800920h. PMID 18715018.
^ Windig, W.; Smith, W. F. (27 July 2007). "Chemometric analysis of complex hyphenated data: Improvements of the component detection algorithm". Journal of Chromatography A. Data Analysis in Chromatography. 1158 (1): 251–257. doi:10.1016/j.chroma.2007.03.081. PMID 17418223.

This computational chemistry-related article is a stub. You can help Wikipedia by expanding it.

[1] Windig, Willem; Phalp, J. Martin; Payne, Alan W. (1996). "A Noise and Background Reduction Method for Component Detection in Liquid Chromatography/Mass Spectrometry". Analytical Chemistry. 68 (20): 3602–3606. doi:10.1021/ac960435y.

[2] Christin, Christin; Smilde, Age K.; Hoefsloot, Huub C. J.; Suits, Frank; Bischoff, Rainer; Horvatovich, Peter L. (2008). "Optimized Time Alignment Algorithm for LC−MS Data: Correlation Optimized Warping Using Component Detection Algorithm-Selected Mass Chromatograms". Analytical Chemistry. 80 (18): 7012–7021. doi:10.1021/ac800920h. PMID 18715018.

[3] Windig, W.; Smith, W. F. (27 July 2007). "Chemometric analysis of complex hyphenated data: Improvements of the component detection algorithm". Journal of Chromatography A. Data Analysis in Chromatography. 1158 (1): 251–257. doi:10.1016/j.chroma.2007.03.081. PMID 17418223.

[1]

[2]

[3]