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1. 发明授权

US08530831B1 Probability-based mass spectrometry data acquisition 有权
标题翻译：基于概率的质谱数据采集方法，用于增加肽和蛋白质鉴定
公开(公告)号：US08530831B1
公开(公告)日：2013-09-10
申请号：US13418972
申请日：2012-03-13
申请人： Joshua Coon , Douglas Phanstiel , Graeme McAlister
发明人： Joshua Coon , Douglas Phanstiel , Graeme McAlister
IPC分类号： G01N33/00
CPC分类号： G01N33/6848 , H01J49/0027 , H01J49/004
摘要： An algorithm-based system and method for tandem mass spectrometry data acquisition in which multiple precursor ion attributes, such as mass, intensity, mass-to-charge ratio and charge state, as well as results from previously performed mass spectrometry scans, are used to determine the likelihood of identification for each precursor ion. This information is then used to prioritize subsequent tandem mass spectrometry events, such as which precursor ions are to be fragmented and undergo further mass spectrometry analysis. By interrogating precursor ions in order of probability of successful identification, an increase in identified proteins and peptides is achieved.
摘要翻译：用于串联质谱数据采集的基于算法的系统和方法，其中使用多个前体离子属性（例如质量，强度，质荷比和电荷状态）以及先前进行的质谱扫描的结果确定每种前体离子的鉴定可能性。然后将该信息用于优化随后的串联质谱事件，例如哪些前体离子被分段并进行进一步的质谱分析。通过以成功鉴定的概率的顺序询问前体离子，可以实现鉴定的蛋白质和肽的增加。

2. 发明申请

US20080048109A1 DATA-DEPENDENT SELECTION OF DISSOCIATION TYPE IN A MASS SPECTROMETER 有权
标题翻译：数据依赖性选择质谱仪中的分离型
公开(公告)号：US20080048109A1
公开(公告)日：2008-02-28
申请号：US11845723
申请日：2007-08-27
申请人： Jae Schwartz , John Syka , Andreas Huhmer , Joshua Coon
发明人： Jae Schwartz , John Syka , Andreas Huhmer , Joshua Coon
IPC分类号： H01J49/26
CPC分类号： H01J49/0031 , H01J49/0045
摘要： Methods and apparatus for data-dependent mass spectrometric MS/MS or MSn analysis are disclosed. The methods may include determination of the charge state of an ion species of interest, followed by automated selection of a dissociation type (e.g., CAD, ETD, or ETD followed by a non-dissociative charge reduction or collisional activation) based at least partially on the determined charge state. The ion species of interest is then dissociated in accordance with the selected dissociation type, and an MS/MS or MSn spectrum of the resultant product ions may be acquired.
摘要翻译：公开了用于数据相关质谱MS / MS或MS分析的方法和装置。所述方法可以包括确定感兴趣的离子物质的电荷状态，然后至少部分地基于自由选择解离型（例如，CAD，ETD或ETD，随后是非解离电荷减少或碰撞激活）确定的充电状态。然后根据选择的解离型解离所关注的离子种类，并且可以获得所得产物离子的MS / MS或MS谱。

3. 发明申请

US20130240722A1 PROBABILITY-BASED MASS SPECTROMETRY DATA ACQUISITION 有权
标题翻译：基于概率的质谱数据采集
公开(公告)号：US20130240722A1
公开(公告)日：2013-09-19
申请号：US13418972
申请日：2012-03-13
申请人： Joshua Coon , Douglas Phanstiel , Graeme McAlister
发明人： Joshua Coon , Douglas Phanstiel , Graeme McAlister
IPC分类号： H01J49/26
CPC分类号： G01N33/6848 , H01J49/0027 , H01J49/004
摘要： An algorithm-based system and method for tandem mass spectrometry data acquisition in which multiple precursor ion attributes, such as mass, intensity, mass-to-charge ratio and charge state, as well as results from previously performed mass spectrometry scans, are used to determine the likelihood of identification for each precursor ion. This information is then used to prioritize subsequent tandem mass spectrometry events, such as which precursor ions are to be fragmented and undergo further mass spectrometry analysis. By interrogating precursor ions in order of probability of successful identification, an increase in identified proteins and peptides is achieved
摘要翻译：用于串联质谱数据采集的基于算法的系统和方法，其中使用多个前体离子属性（例如质量，强度，质荷比和电荷状态）以及先前进行的质谱扫描的结果确定每种前体离子的鉴定可能性。然后将该信息用于优化随后的串联质谱事件，例如哪些前体离子被分段并进行进一步的质谱分析。通过以成功鉴定的概率的顺序询问前体离子，可以实现鉴定的蛋白质和肽的增加

4. 发明申请

US20080044915A1 Simultaneous Sequence Analysis of Amino- and Carboxy-Termini 有权
标题翻译：氨基和羧基末端的同步序列分析
公开(公告)号：US20080044915A1
公开(公告)日：2008-02-21
申请号：US11664661
申请日：2005-10-07
申请人： Donald Hunt , Joshua Coon , John Syka
发明人： Donald Hunt , Joshua Coon , John Syka
IPC分类号： G01N33/00
CPC分类号： G01N33/6848 , G01N33/6818 , Y10T436/24 , Y10T436/25875
摘要： The present invention relates to a new method for identifying polypeptides by deducing the amino acid sequence of the carboxy and amino termini by a mass spectrometer analysis. The method comprises the steps of dissociating highly charged peptide precursor ions (e.g., z>4) using electron transfer dissociation inducing anions followed by removal of those reagents and introduction of a second, proton transfer inducing anion type. The second PTR reaction duration is adjusted to convert the ETD products to primarily the +1 charge-state to reduce the highly charged c and z-type fragments, producing an m/z spectrum containing a series of c and z-type fragment ions that are easily interpreted to reveal the sequence of the amino and carboxy terminus, respectively.
摘要翻译：本发明涉及通过质谱分析推断羧基和氨基末端的氨基酸序列来鉴定多肽的新方法。该方法包括以下步骤：使用电子转移离解诱导阴离子，然后除去那些试剂和引入第二种质子转移诱导阴离子型，使高度带电的肽前体离子（例如z> 4）解离。调整第二个PTR反应持续时间以将ETD产物转化为主要的+1电荷状态以减少高电荷的c和z型片段，产生含有一系列c和z型片段离子的m / z光谱，容易解释为分别显示氨基和羧基末端的序列。

5. 发明申请

US20080050833A1 Ionizable isotopic labeling reagents for relative quantification by mass spectrometry 有权
标题翻译：用于质谱相对定量的可离子化同位素标记试剂
公开(公告)号：US20080050833A1
公开(公告)日：2008-02-28
申请号：US11726307
申请日：2007-03-21
申请人： Lloyd Smith , Michael Shortreed , Brian Frey , Margaret Phillips , Joshua Coon , Shane Lamos , Casey Krusemark , Peter Belshaw , Madhusudan Patel , Neil Kelleher
发明人： Lloyd Smith , Michael Shortreed , Brian Frey , Margaret Phillips , Joshua Coon , Shane Lamos , Casey Krusemark , Peter Belshaw , Madhusudan Patel , Neil Kelleher
IPC分类号： G01N33/00
CPC分类号： C07B59/001 , C07B59/00 , C07B59/008 , G01N30/7233 , G01N2458/15 , Y10T436/163333 , Y10T436/17
摘要： Relative quantification of metabolites by Electrospray Ionization Mass Spectrometry (ESI-MS) requiring a mechanism for simultaneous analysis of multiple analytes in two or more samples. Labeling reagents that are reactive to particular compound classes and differ only in their isotopic kit facilitating relative quantification and providing tangible evidence for the existence of specific functional groups. Heavy and light isotopic forms of methylacetimidate were synthesized and used as labeling reagents for quantification of amine-containing molecules, such as biological samples. Heavy and light isotopic forms of formaldehyde and cholamine were also synthesized and used independently as labeling reagents for quantification of amine-containing and carboxylic acid-containing molecules, such as found in biological samples. Advantageously, the labeled end-products are positively charged under normal acidic conditions involving conventional Liquid Chromatography Mass Spectrometry (LC/MS) applications. Labeled primary and secondary amine and carboxylic acid end-products also generated higher signals concerning mass-spectra than pre-cursor molecules and improved sensitivity. Improved accuracy concerning relative quantification was achieved by mixing heavy and light labeled Arabidopsis extracts in different ratios. Labeling strategy was further employed to ascertain differences in the amounts of amine-containing metabolites for two strains of Arabidopsis seeds.
摘要翻译：通过电喷雾离子化质谱（ESI-MS）对代谢物进行相对定量，其需要同时分析两个或多个样品中多种分析物的机制。标记对特定化合物类别具有反应性的试剂，仅在其同位素试剂盒中有所不同，便于相对定量，并为特定官能团的存在提供有形证据。合成了甲基亚酰亚胺酸的重和轻同位素形式，并用作定量含胺分子（如生物样品）的标记试剂。还合成了重和轻的同位素形式的甲醛和胆胺，并且独立地用作用于定量含胺和含羧酸的分子的标记试剂，例如在生物样品中发现的。有利地，标记的最终产物在常规的液相色谱质谱（LC / MS）应用的正常酸性条件下带正电荷。标记的伯胺和仲胺和羧酸终产物也产生了比前体分子更高的质谱信号，提高了灵敏度。通过以不同比例混合重和轻标记的拟南芥提取物，提高了相对定量的准确性。进一步使用标记策略来确定两种拟南芥种子的含胺代谢物的量的差异。

6. 发明申请

US20050199804A1 Electron transfer dissociation for biopolymer sequence analysis 有权
标题翻译：用于生物聚合物序列分析的电子转移解离
公开(公告)号：US20050199804A1
公开(公告)日：2005-09-15
申请号：US11079147
申请日：2005-03-14
申请人： Donald Hunt , Joshua Coon , John Syka , Jarrod Marto
发明人： Donald Hunt , Joshua Coon , John Syka , Jarrod Marto
IPC分类号： G01N33/50 , G01N33/68 , H01J49/00 , H01J49/04 , H01J49/42
CPC分类号： H01J49/423 , G01N33/6848 , H01J49/0072 , Y10T436/212 , Y10T436/24
摘要： The present invention relates to a new method for fragmenting ions in a mass spectrometer through the use of electron transfer dissociation, and for performing sequence analysis of peptides and proteins by mass spectrometry. In the case of peptides, the invention promotes fragmentation along the peptide backbone and makes it possible to deduce the amino acid sequence of the sample, including modified amino acid residues, through the use of an RF field device.
摘要翻译：本发明涉及通过使用电子转移离解在质谱仪中分离离子的新方法，以及通过质谱法进行肽和蛋白质的序列分析。在肽的情况下，本发明促进沿肽主链的断裂，并且可以通过使用RF场设备来推断样品的氨基酸序列，包括修饰的氨基酸残基。

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