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CN104025249B 针对滞留时间确定或确认的视窗化质谱分析数据的使用 有权

针对滞留时间确定或确认的视窗化质谱分析数据的使用
摘要：
对分离样本的扫描在多个间隔中的每个间隔处由质谱仪接收。所述质谱仪在每个间隔处执行一或多次质谱扫描。所述扫描具有一或多个序列质量窗口宽度以在每个间隔处横跨整个质量范围并且在所述多个间隔内产生所述整个质量范围的光谱集合。为离子碎片识别所述光谱集合中的一或多个不同间隔处的一或多个峰。在每个峰的每个间隔内检索所述整个质量范围的质谱。将所述质谱中与每个峰对应的质荷比峰的一或多个离子特征值与所述碎片离子的一或多个已知值相比较。基于比较对每个峰进行评分。(56)对比文件Félix Hernández et al.《.Gaschromatography coupled to high-resolutiontime-of-flight mass spectrometry toanalyze trace-level organic compounds inthe environment, food safety andtoxicology》《.Trends in AnalyticalChemistry》.2011,第30卷(第2期),摘要、第393页左栏第19-32行；第389页左栏第50行-右栏第29行、附图1；第391页右栏第24-40行、附图2、第393页右栏第28-32行；第391页右栏27-30行、第396页右栏第26行-第397页左栏第3行.Félix Hernández et al.《.Gaschromatography coupled to high-resolutiontime-of-flight mass spectrometry toanalyze trace-level organic compounds inthe environment, food safety andtoxicology》《.Trends in AnalyticalChemistry》.2011,第30卷(第2期),摘要、第393页左栏第19-32行；第389页左栏第50行-右栏第29行、附图1；第391页右栏第24-40行、附图2、第393页右栏第28-32行；第391页右栏27-30行、第396页右栏第26行-第397页左栏第3行.
摘要（英）：

A scan of a separating sample is received by a mass spectrometer at each interval of a plurality of intervals. The spectrometer performs at each interval one or more mass spectrometry scans. The scans have one or more sequential mass window widths in order to span an entire mass range at each interval and produce a collection of spectra for the entire mass range for the plurality of intervals. One or more peaks at one or more different intervals in the collection of spectra are identified for a fragment ion. A mass spectrum of the entire mass range is retrieved for each interval of each peak. Values for one or more ion characteristics of a mass-to-charge ratio peak in the mass spectrum corresponding to each peak are compared to one or more known values for the fragment ion. Each peak is scored based on the comparison.

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