Introduction

The references listed here are not necessarily used (yet) in Peacock, nor is this list necessarily complete.

Mass Spectral Library Search Algorithms

References (in no particular order):

• Stephen E. Stein (1994) Estimating probabilities of correct identification from results of mass spectral library searches 10.1016/1044-0305(94)85022-4

• Stephen E. Stein, Donald R. Scott (1994) Optimization and testing of mass spectral library search algorithms for compound identification 10.1016/1044-0305(94)87009-8
• Barbara L. Atwater, Douglas B. Stauffer, Fred W. McLafferty, and David W. Peterson (1985) Reliability ranking and scaling improvements to the probability based matching system for unknown mass spectra 10.1021/ac00281a028
• Douglas B. Stauffer, Fred W. McLafferty, Robert D. Ellis, and David W. Peterson (1985) Adding forward searching capabilities to a reverse search algorithm for unknown mass spectra 10.1021/ac00280a045
• Douglas B. Stauffer, Fred W. McLafferty, Robert D. Ellis, and David W. Peterson (1985) Probability-based-matching algorithm with forward searching capabilities for matching unknown mass spectra of mixtures 10.1021/ac00283a02

Various as Yet Unsorted Articles

References (in no particular order):

• (1994), Analytical Data Interchange for Mass Spectrometry ANDI/MS, Original name file: ANDI_S10.pdf.
• Dalby, A., Nourse, J. G., Hounshell, W. D., Gushurst, A. K. I., Grier, D. L., Leland, B. A., and Laufer, J. (1992), Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited, J. Chem. Inf. Comput. Sci. 32(3), 244-255.
• Damen, H., Henneberg, D., and Weimann, B. (1978), Siscom - a new library search system for mass spectra, Analytica Chimica Acta 103(4), 289-302.
• Davies, A. N. (2003), Handbook of Spectroscopy, Wiley-VCH, chapter Mass spectrometry, pp. 488-504.
• Gan, F., Yang, J., and Liang, Y. (2001), Library Search of Mass Spectra with a New Matching Algorithm Based of Substructure Similarity, Analytical Sciences 17, 635-638.
• Geusebroek, J., Smeulders, A. W. M., and van de Weijer, J. (2003), Fast Anisotropic Gauss Filtering, IEEE Transactions on Image Processing 12(8), 938-943.
• Haraki, K. S., Venkataraghavan, R., and McLafferty, F. W. (1981), Prediction of substructures from unknown mass spectra by the self-training interpretive and retrieval system, Anal. Chem. 53(3), 386-392.
• Herrnberger, B., and Zimmer, U. R. (1995), Deriving Baseline Detection Algorithms from Verbal Descriptions, in .
• Jarman, K. H., Daly, D. S., Anderson, K. K., and Wahl, K. L. (2003), A new approach to automated peak detection, Chemometrics and Intelligent Laboratory Systems 69(1-2), 61-76.
• Lampen, P., Hillig, H., Davies, A. N., and Linscheid, M. (1994), JCAMP-DX for Mass Spectrometry, Applied Spectroscopy 48(12), 1545-1552.
• Lampen, P., Lambert, J., Lancashire, R. J., McDonald, R. S., Mcintyre, P. S., Rutledge, D. N., Fröhlich, T., and Davies, A. N. (1999), An extension to the JCAMP-DX standard file format, JCAMP-DX V.5.01 (IUPAC Recommendations 1999), Pure Appl. Chem. 71(8), 1549-1556.
• Lampen, P., Lancashire, R., McDonald, R., McIntyre, P., Rutledge, D., and Davies, A. (2002), A Generic JCAMP-DX Standard File Format, JCAMP-DX V.6.00, Pure and Applied Chemistry -, -.
• McDonald, R. S., and Paul A. Wilks, J. (1988), JCAMP-DX: A Standard Form r Exchange of Infrared Spectra in Computer Readable Form, Applied Spectroscopy 42(1), 151-162.
• McLafferty, F. W., Hertel, R. H., and Villwock, R. D. (1974), Probability based matching of mass spectra. Rapid identification of specific compounds in mixtures, Organic Mass Spectrometry 9(7), 690-702.
• McLafferty, F. W., Zhang, M., Stauffer, D. B., and Loh, S. Y. (1998), Comparison of Algorithms and Databases Matching Unknown Mass Spectra, Journal of the American Society for Mass Spectrometry 9, 92-95.
• Stein, S. E. (1999), An Integrated Method for Spectrum Extractionand Compound Identification from GasChromatography/Mass Spectrometry Data, Journal of the American Society for Mass Spectrometry 10, 770-781.
• Touch, J. D. (1986), A Statistical Method for Detecting Peaks in Electrocardiogram Signals.