公开(公告)号：US10692709B2

公开(公告)日：2020-06-23

申请号：US16173473

申请日：2018-10-29

Applicant: Waters Technologies Corporation

Inventor： Scott J. Geromanos ,  Marc V. Gorenstein ,  Daniel Golick ,  Steven J. Ciavarini

IPC: G01N30/86 ,  H01J49/00 ,  G01N27/62 ,  G01N30/72

Abstract: A method of analyzing a complex sample includes performing a sequential chromatographic-IMS-MS analysis of a sample to obtain a plurality of experimental mass spectra having isotopic clusters, wherein each spectrum of the plurality of spectra is associated with a chromatographic retention time and an ion-mobility drift time. The method also includes calculating a model isotopic cluster of a precursor or product ion associated with a candidate compound in the sample, in correspondence to the natural isotopic-abundance ratios of elements composing the compound. The method further includes comparing peaks of the model isotopic cluster to corresponding peaks of an isotopic cluster of one of the experimental mass spectra to extract one or more saturated or interfered peaks of the experimental isotopic cluster, wherein at least one of the peaks of the experimental isotopic cluster is un-saturated and un-interfered.

公开(公告)号：US20200279726A1

公开(公告)日：2020-09-03

申请号：US16878049

申请日：2020-05-19

Applicant: Waters Technologies Corporation

Inventor： Scott J. Geromanos ,  Marc V. Gorenstein ,  Daniel Golick ,  Steven J. Ciavarini

IPC: H01J49/00 ,  G01N27/62 ,  G01N30/72 ,  G01N30/86

Abstract: A method of analyzing a complex sample includes performing a sequential chromatographic-IMS-MS analysis of a sample to obtain a plurality of experimental mass spectra having isotopic clusters, wherein each spectrum of the plurality of spectra is associated with a chromatographic retention time and an ion-mobility drift time. The method also includes calculating a model isotopic cluster of a precursor or product ion associated with a candidate compound in the sample, in correspondence to the natural isotopic-abundance ratios of elements composing the compound. The method further includes comparing peaks of the model isotopic cluster to corresponding peaks of an isotopic cluster of one of the experimental mass spectra to extract one or more saturated or interfered peaks of the experimental isotopic cluster, wherein at least one of the peaks of the experimental isotopic cluster is un-saturated and un-interfered.

公开(公告)号：US10115576B2

公开(公告)日：2018-10-30

申请号：US14563022

申请日：2014-12-08

Applicant: Waters Technologies Corporation

Inventor： Scott J. Geromanos ,  Marc V. Gorenstein ,  Daniel Golick ,  Steven J. Ciavarini

IPC: G01N30/86 ,  H01J49/00 ,  G01N27/62 ,  G01N30/72

Abstract: A method of analyzing a complex sample includes performing a sequential chromatographic-IMS-MS analysis of a sample to obtain a plurality of experimental mass spectra having isotopic clusters, wherein each spectrum of the plurality of spectra is associated with a chromatographic retention time and an ion-mobility drift time. The method also includes calculating a model isotopic cluster of a precursor or product ion associated with a candidate compound in the sample, in correspondence to the natural isotopic-abundance ratios of elements composing the compound. The method further includes comparing peaks of the model isotopic cluster to corresponding peaks of an isotopic cluster of one of the experimental mass spectra to extract one or more saturated or interfered peaks of the experimental isotopic cluster, wherein at least one of the peaks of the experimental isotopic cluster is un-saturated and un-interfered.

公开(公告)号：US20150170892A1

公开(公告)日：2015-06-18

申请号：US14563022

申请日：2014-12-08

Applicant: Waters Technologies Corporation

Inventor： Scott J. Geromanos ,  Marc V. Gorenstein ,  Daniel Golick ,  Steven J. Ciavarini

IPC: H01J49/00 ,  G01N27/62 ,  G01N30/72 ,  H01J49/40

CPC classification number: H01J49/004 ,  G01N27/622 ,  G01N30/72 ,  G01N30/7233 ,  G01N30/8631 ,  G01N30/8679 ,  H01J49/0036

Abstract: A method of analyzing a complex sample includes performing a sequential chromatographic-IMS-MS analysis of a sample to obtain a plurality of experimental mass spectra having isotopic clusters, wherein each spectrum of the plurality of spectra is associated with a chromatographic retention time and an ion-mobility drift time. The method also includes calculating a model isotopic cluster of a precursor or product ion associated with a candidate compound in the sample, in correspondence to the natural isotopic-abundance ratios of elements composing the compound. The method further includes comparing peaks of the model isotopic cluster to corresponding peaks of an isotopic cluster of one of the experimental mass spectra to extract one or more saturated or interfered peaks of the experimental isotopic cluster, wherein at least one of the peaks of the experimental isotopic cluster is un-saturated and un-interfered.

Abstract translation: 分析复杂样品的方法包括对样品进行顺序色谱-MS-MS分析以获得具有同位素簇的多个实验质谱，其中多个光谱的每个光谱与色谱保留时间和离子 漂移时间 该方法还包括计算与样品中候选化合物相关的前体或产物离子的模型同位素簇，对应于构成化合物的元素的天然同位素丰度比。 该方法还包括将模拟同位素簇的峰与实验质谱之一的同位素簇的相应峰进行比较，以提取实验同位素簇的一个或多个饱和或干扰的峰，其中实验的至少一个峰 同位素簇是不饱和和不受干扰的。

公开(公告)号：US11137380B2

公开(公告)日：2021-10-05

申请号：US16878049

申请日：2020-05-19

Applicant: Waters Technologies Corporation

Inventor： Scott J. Geromanos ,  Marc V. Gorenstein ,  Daniel Golick ,  Steven J. Ciavarini

IPC: G01N30/86 ,  H01J49/00 ,  G01N27/622 ,  G01N30/72

Abstract: A method of analyzing a complex sample includes performing a sequential chromatographic-IMS-MS analysis of a sample to obtain a plurality of experimental mass spectra having isotopic clusters, wherein each spectrum of the plurality of spectra is associated with a chromatographic retention time and an ion-mobility drift time. The method also includes calculating a model isotopic cluster of a precursor or product ion associated with a candidate compound in the sample, in correspondence to the natural isotopic-abundance ratios of elements composing the compound. The method further includes comparing peaks of the model isotopic cluster to corresponding peaks of an isotopic cluster of one of the experimental mass spectra to extract one or more saturated or interfered peaks of the experimental isotopic cluster, wherein at least one of the peaks of the experimental isotopic cluster is un-saturated and un-interfered.

公开(公告)号：US20190131117A1

公开(公告)日：2019-05-02

申请号：US16173473

申请日：2018-10-29

Applicant: Waters Technologies Corporation

Inventor： Scott J. Geromanos ,  Marc V. Gorenstein ,  Daniel Golick ,  Steven J. Ciavarini

IPC: H01J49/00 ,  G01N30/86 ,  G01N30/72 ,  G01N27/62

CPC classification number: H01J49/004 ,  G01N27/622 ,  G01N30/72 ,  G01N30/7233 ,  G01N30/8631 ,  G01N30/8679 ,  H01J49/0036

Abstract: A method of analyzing a complex sample includes performing a sequential chromatographic-IMS-MS analysis of a sample to obtain a plurality of experimental mass spectra having isotopic clusters, wherein each spectrum of the plurality of spectra is associated with a chromatographic retention time and an ion-mobility drift time. The method also includes calculating a model isotopic cluster of a precursor or product ion associated with a candidate compound in the sample, in correspondence to the natural isotopic-abundance ratios of elements composing the compound. The method further includes comparing peaks of the model isotopic cluster to corresponding peaks of an isotopic cluster of one of the experimental mass spectra to extract one or more saturated or interfered peaks of the experimental isotopic cluster, wherein at least one of the peaks of the experimental isotopic cluster is un-saturated and un-interfered.