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    Mass scale alignment of time-of-flight mass spectra
    1.
    发明申请
    Mass scale alignment of time-of-flight mass spectra 有权
    飞行时间质谱的质谱比对

    公开(公告)号：US20060095212A1

    公开(公告)日：2006-05-04

    申请号：US11249147

    申请日：2005-10-12

    申请人： Markus Kostrzewa ,  Stefan Klepel ,  Thomas Maier

    发明人： Markus Kostrzewa ,  Stefan Klepel ,  Thomas Maier

    IPC分类号： G06F19/00

    CPC分类号： H01J49/0036 ,  Y10T436/143333

    摘要： 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.

    摘要翻译： 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。

    MASS SPECTROMETRIC IDENTIFICATION OF MICROORGANISMS IN COMPLEX SAMPLES
    2.
    发明申请
    MASS SPECTROMETRIC IDENTIFICATION OF MICROORGANISMS IN COMPLEX SAMPLES 审中-公开
    复杂样品中微生物的质谱鉴定

    公开(公告)号：US20100248298A1

    公开(公告)日：2010-09-30

    申请号：US12695235

    申请日：2010-01-28

    申请人： Markus Kostrzewa ,  Thomas Maier ,  Stefan Klepel

    发明人： Markus Kostrzewa ,  Thomas Maier ,  Stefan Klepel

    IPC分类号： C12Q1/04

    CPC分类号： G01N33/6848 ,  C12Q1/04 ,  G16B20/00 ,  Y02A50/58

    摘要： Microorganisms are identified as present in a complex sample or mixed culture by acquiring a mass spectrum of the sample and comparing it to combination spectra, each of which is formed by combining at least two reference mass spectra of known microorganisms. Microorganisms corresponding to the reference spectra used to form the combination spectrum are identified as present in the sample if that combination spectrum exhibits a better match with the sample mass spectrum than any one of reference mass spectra used to form that combination spectrum. It is also possible to identify microorganisms by forming a difference spectrum by subtracting a reference mass spectrum from the sample mass spectrum and comparing the difference spectrum to the reference mass spectra.

    摘要翻译： 通过获取样品的质谱并将其与组合光谱进行比较，将微生物鉴定为存在于复合物样品或混合培养物中，每个组合谱通过组合已知微生物的至少两个参考质谱而形成。 与用于形成组合光谱的参考光谱相对应的微生物被鉴定为存在于样品中，如果该组合光谱与样品质谱比与用于形成该组合光谱的参考质谱中的任何一个相比更好的匹配。 也可以通过从样品质谱中减去参考质谱并将差谱与参考质谱进行比较来形成差谱来鉴定微生物。

    Mass scale alignment of time-of-flight mass spectra
    3.
    发明授权
    Mass scale alignment of time-of-flight mass spectra 有权
    飞行时间质谱的质谱比对

    公开(公告)号：US07391017B2

    公开(公告)日：2008-06-24

    申请号：US11249147

    申请日：2005-10-12

    申请人： Markus Kostrzewa ,  Stefan Klepel ,  Thomas Maier

    发明人： Markus Kostrzewa ,  Stefan Klepel ,  Thomas Maier

    IPC分类号： B01D59/44 ,  H01J49/00

    CPC分类号： H01J49/0036 ,  Y10T436/143333

    摘要： 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.

    摘要翻译： 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。

    Ion mobility spectrometer with switchable electrodes
    4.
    发明授权
    Ion mobility spectrometer with switchable electrodes 失效
    具有可切换电极的离子迁移谱仪

    公开(公告)号：US6107624A

    公开(公告)日：2000-08-22

    申请号：US115341

    申请日：1998-07-14

    申请人： Hans-Rudiger Doring ,  Stefan Klepel ,  Jorg Peuker ,  Roland Schnurpfeil ,  Gerhard Weiss

    发明人： Hans-Rudiger Doring ,  Stefan Klepel ,  Jorg Peuker ,  Roland Schnurpfeil ,  Gerhard Weiss

    IPC分类号： G01N27/64 ,  H01J49/00 ,  B01D59/44

    CPC分类号： G01N27/622

    摘要： The invention relates to a switchable ion mobility spectrometer (IMS) with ring electrodes divided into half-rings, which surround the drift chamber of the IMS. In a first operating condition, the two half-rings of each ring electrode are at the same potential and the various ring electrodes are at different potential varying monotonously along the drift path. In this way, ions are transported in the conventional manner along the drift path. In a second operating mode, the half-rings of the ring electrodes are at different potentials, by which the ions are each deflected toward one of the half-rings. The currents thus resulting are captured by the corresponding half-rings, amplified and an ion mobility spectrum is produced. A favorable design for the IMS can be used in many different modes of operation.

    摘要翻译： 本发明涉及一种可切换的离子迁移谱仪（IMS），其具有分为半环的环形电极，其环绕IMS的漂移室。 在第一操作条件下，每个环形电极的两个半环处于相同的电位，并且各种环形电极处于沿漂移路径单调变化的不同电位。 以这种方式，沿着漂移路径以常规方式输送离子。 在第二操作模式中，环形电极的半环处于不同的电位，离子各自偏向一个半环。 由此产生的电流被相应的半环捕获，被放大并产生离子迁移谱。 IMS的有利设计可以用于许多不同的操作模式。

    Identification of substances by ion mobility spectrometry
    5.
    发明授权
    Identification of substances by ion mobility spectrometry 有权
    通过离子迁移光谱法鉴定物质

    公开(公告)号：US09009097B2

    公开(公告)日：2015-04-14

    申请号：US13077194

    申请日：2011-03-31

    申请人： Stefan Klepel

    发明人： Stefan Klepel

    IPC分类号： G06N5/00 ,  G01N27/62 ,  G06N5/02

    CPC分类号： G01N27/622 ,  G06N5/02

    摘要： 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.

    摘要翻译： 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。

    IDENTIFICATION OF SUBSTANCES BY ION MOBILITY SPECTROMETRY
    6.
    发明申请
    IDENTIFICATION OF SUBSTANCES BY ION MOBILITY SPECTROMETRY 有权
    通过离子移动光谱鉴定物质

    公开(公告)号：US20110246414A1

    公开(公告)日：2011-10-06

    申请号：US13077194

    申请日：2011-03-31

    申请人： Stefan Klepel

    发明人： Stefan Klepel

    IPC分类号： G06N5/02

    CPC分类号： G01N27/622 ,  G06N5/02

    摘要： 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.

    摘要翻译： 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。

    SUBSTANCE IDENTIFICATION USING A SERIES OF ION MOBILITY SPECTRA
    7.
    发明申请
    SUBSTANCE IDENTIFICATION USING A SERIES OF ION MOBILITY SPECTRA 审中-公开
    使用一系列离子移动光谱的物质识别

    公开(公告)号：US20110042559A1

    公开(公告)日：2011-02-24

    申请号：US12856016

    申请日：2010-08-13

    申请人： Stefan Klepel

    发明人： Stefan Klepel

    IPC分类号： B01D59/44

    CPC分类号： G01N27/622

    摘要： A method for identifying an analyte includes introducing a transient cloud with an increasing and a decreasing analyte concentration into an ion mobility spectrometer, determining a series of analyte spectra, and identifying the analyte using mobility values and process kinetics from a formation of different types of analyte ions which is visible in a signal profile of the series of analyte spectra.

    摘要翻译： 用于鉴定分析物的方法包括将具有增加和减少的分析物浓度的瞬时云引入离子迁移谱仪，确定一系列分析物光谱，以及使用来自不同类型分析物的形成的迁移率值和过程动力学来鉴定分析物 在一系列分析物光谱的信号分布中可见的离子。