质谱计算器

MSC 软件可在线对指定的质谱峰进行处理，包括得到同位素分布、相对丰度、分子式、分子结构等重要的信息，用户可将这些信息存入文档，并和以后类似的结果进行对比。

This program includes several functions that assist in the evaluation of mass spectra.

Molecular drawing, fragmentation, and autofragmentation
Enhanced Isotopic Profile utility based on a completely new algorithm that calculates isotopic mass distributions for a structure.
Elemental Formula utility calculates the possible compositions of an ion given its mass.
Spectrum Capture utility that can automatically digitize a scanned spectrum and import it for use within MSC.
All modules now support 79 elements, including essentially any element likely to be encountered in mass spectrometry.
All elemental data including mass, number of isotopes, and each isotopes mass and relative abundance can be easily edited if desired.
Automatically adjusts to the available screen resolution to maximize the drawing space; additional virtual screen space can be accessed by activating scrollbars.
The drawing routines have been improved, several new options have been added, a tool bar and pop-up menu are included for additional ease of use, and a new alkyl chain tool and a user-defined "R-group" tool have been added to further speed the drawing process.
Improved spectrum and printing capabilities