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    • 2. 发明授权
    • Identification of substances by ion mobility spectrometry
    • 通过离子迁移光谱法鉴定物质
    • US09009097B2
    • 2015-04-14
    • US13077194
    • 2011-03-31
    • Stefan Klepel
    • Stefan Klepel
    • G06N5/00G01N27/62G06N5/02
    • G01N27/622G06N5/02
    • The invention relates to identifying substances in a sample by similarity comparisons between series of ion mobility spectra of the sample and series of ion mobility spectra of reference samples. The collection of series of spectra of reference samples, termed reference library, are divided into classes, with the class assignment of a series of spectra being calculated from the measured values themselves, and limiting the similarity comparisons to series of spectra with the same class assignment. First and second moments of the spectra have proven to be particularly favorable characteristics for the class assignment.
    • 本发明涉及通过样品的一系列离子迁移率光谱和参考样品的一系列离子迁移谱之间的相似性比较来鉴定样品中的物质。 参考样本序列的谱集合被称为参考文献,被分为类别,根据测量值本身计算一系列光谱的类别分配,并将相似性比较与相同类别分配的光谱序列进行限制 。 频谱的第一和第二时刻被证明是类分配特别有利的特征。
    • 3. 发明申请
    • IDENTIFICATION OF SUBSTANCES BY ION MOBILITY SPECTROMETRY
    • 通过离子移动光谱鉴定物质
    • US20110246414A1
    • 2011-10-06
    • US13077194
    • 2011-03-31
    • Stefan Klepel
    • Stefan Klepel
    • G06N5/02
    • G01N27/622G06N5/02
    • The invention relates to identifying substances in a sample by similarity comparisons between series of ion mobility spectra of the sample and series of ion mobility spectra of reference samples. The collection of series of spectra of reference samples, termed reference library, are divided into classes, with the class assignment of a series of spectra being calculated from the measured values themselves, and limiting the similarity comparisons to series of spectra with the same class assignment. First and second moments of the spectra have proven to be particularly favorable characteristics for the class assignment.
    • 本发明涉及通过样品的一系列离子迁移率光谱和参考样品的一系列离子迁移谱之间的相似性比较来鉴定样品中的物质。 参考样本序列的谱集合被称为参考文献,被分为类别,根据测量值本身计算一系列光谱的类别分配,并将相似性比较与相同类别分配的光谱序列进行限制 。 频谱的第一和第二时刻被证明是类分配特别有利的特征。
    • 4. 发明申请
    • Mass scale alignment of time-of-flight mass spectra
    • 飞行时间质谱的质谱比对
    • US20060095212A1
    • 2006-05-04
    • US11249147
    • 2005-10-12
    • Markus KostrzewaStefan KlepelThomas Maier
    • Markus KostrzewaStefan KlepelThomas Maier
    • G06F19/00
    • H01J49/0036Y10T436/143333
    • The invention generates mass scale comparability between mass spectra which are acquired in time-of-flight mass spectrometers, particularly with ionization by matrix-assisted laser desorption. Always slightly distorted mass scales of different mass spectra from the same type of sample can be aligned. The flight times of identical ions always differ slightly from one mass spectrum to the next due to non-reproducible processes in the ionization method. Thus the apparent mass values of ion signals of identical substances in different mass spectra do not match even if the flight times are converted into mass values with the identical calibration equation. After alignment of the mass scales, mass spectra can be reliably compared with respect to deviations in intensities of bio-makers, or be added together without deterioration in the mass resolution, and improved reference spectrum libraries can be created. Furthermore, the invention allows more reliable library searches to be carried out.
    • 本发明在飞行时间质谱仪中获得的质谱之间产生质谱比较,特别是通过基质辅助激光解吸电离。 始终可以对齐来自相同类型样品的不同质谱的轻微变形质谱。 由于电离方法中不可重复的过程,相同离子的飞行时间总是与一个质谱图稍微不同。 因此,即使以相同的校准方程将飞行时间转换为质量值,不同质谱中相同物质的离子信号的表观质量也不匹配。 在对质量标尺进行比对后,质谱可以与生物制造者的强度偏差可靠地进行比较,或者加在一起,而不会降低质量分辨率,并且可以创建改进的参考光谱库。 此外,本发明允许执行更可靠的库搜索。
    • 7. 发明授权
    • Mass scale alignment of time-of-flight mass spectra
    • 飞行时间质谱的质谱比对
    • US07391017B2
    • 2008-06-24
    • US11249147
    • 2005-10-12
    • Markus KostrzewaStefan KlepelThomas Maier
    • Markus KostrzewaStefan KlepelThomas Maier
    • B01D59/44H01J49/00
    • H01J49/0036Y10T436/143333
    • The invention generates mass scale comparability between mass spectra which are acquired in time-of-flight mass spectrometers, particularly with ionization by matrix-assisted laser desorption. Always slightly distorted mass scales of different mass spectra from the same type of sample can be aligned. The flight times of identical ions always differ slightly from one mass spectrum to the next due to non-reproducible processes in the ionization method. Thus the apparent mass values of ion signals of identical substances in different mass spectra do not match even if the flight times are converted into mass values with the identical calibration equation. After alignment of the mass scales, mass spectra can be reliably compared with respect to deviations in intensities of bio-makers, or be added together without deterioration in the mass resolution, and improved reference spectrum libraries can be created. Furthermore, the invention allows more reliable library searches to be carried out.
    • 本发明在飞行时间质谱仪中获得的质谱之间产生质谱比较,特别是通过基质辅助激光解吸电离。 始终可以对齐来自相同类型样品的不同质谱的轻微变形质谱。 由于电离方法中不可重复的过程,相同离子的飞行时间总是与一个质谱图稍微不同。 因此,即使以相同的校准方程将飞行时间转换为质量值,不同质谱中相同物质的离子信号的表观质量也不匹配。 在对质量标尺进行比对后,质谱可以与生物制造者的强度偏差可靠地进行比较,或者加在一起,而不会降低质量分辨率,并且可以创建改进的参考光谱库。 此外,本发明允许执行更可靠的库搜索。