公开(公告)号：US20160275237A1

公开(公告)日：2016-09-22

申请号：US14661141

申请日：2015-03-18

Applicant: SHIMADZU CORPORATION

Inventor： Akiyasu YOSHIZAWA ,  Takayuki YOSHIMORI

IPC: G06F19/16 ,  H01J49/00

CPC classification number: G01N33/6848 ,  G16B30/00

Abstract: Peptide-fragment mixtures obtained by fragmenting a sample with each of multiple enzymes which cause cleavage at different sites are subjected to mass spectrometry. De novo sequencing is performed on the obtained results to deduce partial sequence candidates for various kinds of fragments (S1 and S2). Using the fact that a specific amino acid residue should appear at the cleavage site depending on the enzyme, a partial sequence candidate including the terminal of the original amino acid sequence is extracted from a number of candidates (S6). The task of searching for and combining non-terminal partial sequence candidates including an overlapping portion is repeated (S7 and S8). The sequence candidates including the terminal are subsequently connected to the ends of the sequence obtained through the repetitive task (S9). The eventually obtained amino acid sequence is highly likely to be the correct solution (S10 and S11).

Abstract translation: 通过将样品与在不同位点处引起切割的多种酶中的每一种片段化而获得的肽片段混合物进行质谱分析。 对获得的结果进行重新测序以推导各种片段的部分序列候选（S1和S2）。 使用特定氨基酸残基应该在切割位点出现取决于酶的事实，从多个候选物中提取包含原始氨基酸序列的末端的部分序列候选（S6）。 重复包括重叠部分的非终端部分候选的搜索和组合的任务（S7和S8）。 包括终端的候选序列随后连接到通过重复任务获得的序列的末尾（S9）。 最终获得的氨基酸序列很可能是正确的解决方案（S10和S11）。

公开(公告)号：US20130204537A1

公开(公告)日：2013-08-08

申请号：US13757439

申请日：2013-02-01

Applicant: SHIMADZU CORPORATION

Inventor： Shigeki KAJIHARA ,  Takayuki YOSHIMORI ,  Akiyasu YOSHIZAWA ,  Naoki KANEKO

IPC: G06F19/18

CPC classification number: G16B20/00 ,  G16B45/00

Abstract: The amino acid sequence is deduced by using de novo sequencing, to prevent the correct amino acid sequence from not being ranked high as candidates. Amino acid sequence candidates are computed by finding the longest path by a branch and using a bound method based on the spectrum data on the target peptide and the known amino acid sequence. A tree-structured directed graph is used where amino acid sequences are set as nodes and the peak intensities corresponding to the amino acids are set as branches. In a sequence put at a node in the highest layer, an amino acid is placed at a terminal, and as the layer goes deeper, amino acids are sequentially placed from both terminals toward the center of the sequence. The final score is estimated based on the remaining amino acids, and if the score is small, the search is halted.

Abstract translation: 通过使用从头测序推导出氨基酸序列，以防止正确的氨基酸序列不被列为候选者。 氨基酸序列候选是通过用分支找到最长路径并使用基于目标肽和已知氨基酸序列的光谱数据的结合方法计算的。 使用树形结构的有向图，其中将氨基酸序列设置为节点，并将对应于氨基酸的峰强度设置为分支。 在放置在最高层的节点上的序列中，氨基酸被置于末端，并且随着层变深，氨基酸从两个末端向序列的中心顺序放置。 根据其余的氨基酸估计最终得分，如果分数较小，则搜索停止。