【摘要】 根据已知算法编写了一种预测多肽和多肽类似物质谱碎片质量的程序。采用C++语言编写,具有良好的移植性,可与EXCEL等表格处理软件联用。它不但可处理天然多肽,也可以处理含有由用户定义的非天然氨基酸残基的多肽类似物。对多个多肽类似物的质谱碎片质量进行了预测,与实测结果比较后证明预测全部成功,说明本程序的结果有效、可靠。使用该程序对多肽和多肽类似物的质谱碎片质量进行预测,可以大幅简化该类化合物质谱解析过程。更多还原

【Abstract】 A computer program was designed for predicting MS fragments’ mass of peptides or peptide analogs according to known algorithm.It was written by C++ with high transplantability.The output-file of this program can be processed by EXCEL or other electric-table easily.Not only natural occurring peptides but also peptide analogs with unnatural amino acid residue can be processed.MS fragments’ mass of some peptide analogs were predicated by this program.The results show that this program is efficient and dependable.It is convenient and flexible to analysis MS fragments of peptides or peptide analogs supplied by this program.更多还原