MASP - A program predicting mass spectra of combinatorial libraries

Steinbeck, C.; Berlin, K.; Richert, C.

doi:10.1021/ci960160n

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MASP - A program predicting mass spectra of combinatorial libraries

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Steinbeck, C.
Department of Bioorganic Chemistry, MPI for Chemical Ecology, Max Planck Society;

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Steinbeck, C., Berlin, K., & Richert, C. (1997). MASP - A program predicting mass spectra of combinatorial libraries. Journal of Chemical Information and Computer Sciences, 37(3), 449-457. doi:10.1021/ci960160n.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0012-A3C0-A

Abstract

MASP, a program predicting fragmentation-free mass spectra of libraries prepared by combinatorial synthesis, is presented. MASP combines user-defined building blocks with a nonvariable core molecule and calculates isotopically resolved mass spectra. Pea