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1. 发明申请

WO2011091338A1 MASS TAG REAGENTS FOR SIMULTANEOUS QUANTITATION AND IDENTIFICATION OF SMALL MOLECULES 审中-公开
标题翻译：用于同时量化和鉴定小分子的大量标签试剂
公开(公告)号：WO2011091338A1
公开(公告)日：2011-07-28
申请号：PCT/US2011/022183
申请日：2011-01-24
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , DEY, Subhakar , PURKAYASTHA, Subhasish
发明人： DEY, Subhakar , PURKAYASTHA, Subhasish
IPC分类号： G01N37/00
CPC分类号： G01N33/743 , G01N33/6848 , G01N2458/15 , G01N2560/00 , Y10T436/10 , Y10T436/13 , Y10T436/17 , Y10T436/18 , Y10T436/20 , Y10T436/200833 , Y10T436/24
摘要： A molecule identification and quantitation method is provided wherein a mass tag is conjugated to an analyte and the signature ion of the mass tag remains attached to the analyte after tandem mass spectrometry fragmentation (MS-MS or MS 2 ). Rather than losing the signature ion, a mass-balance part of the structure can be lost as a charge neutral group under tandem mass spectrometry fragmentation. The signature ion can be used for quantitation and, upon further fragmentation, can also provide ion-signals characteristic of the analyte and useful in identifying the analyte. In some embodiments, the ion-signals generated from a third mass spectrometry fragmentation (MS 3 ) can be compared with a known mass spectrum, for example, from a look-up table, from a library, or from a database, to provide an unambiguous identification of the analyte.
摘要翻译：提供了分子识别和定量方法，其中质量标签与分析物结合，并且质谱标签的标记离子在串联质谱分离（MS-MS或MS2）之后保持附着于分析物。不是丢失签名离子，结构的质量平衡部分可能在串联质谱碎裂下作为电荷中性基团丢失。签名离子可用于定量，并且在进一步碎裂时也可以提供分析物特征的离子信号并且可用于鉴定分析物。在一些实施方案中，可以将第三质谱分段（MS3）产生的离子信号与已知质谱进行比较，例如，从查找表，库或数据库中提供明确的鉴定分析物。

2. 发明申请

WO2011091436A1 QUANTITATIVE ANALYSIS OF VITAMIN D3, VITAMIN D2, AND METABOLITES THEREOF 审中-公开
标题翻译：维生素D3，维生素D2及其代谢物的定量分析
公开(公告)号：WO2011091436A1
公开(公告)日：2011-07-28
申请号：PCT/US2011/022454
申请日：2011-01-25
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , DEY, Subhakar , PILLAI, Sasi , WILLIAMSON, Brian , PURKAYASTHA, Subhasish
发明人： DEY, Subhakar , PILLAI, Sasi , WILLIAMSON, Brian , PURKAYASTHA, Subhasish
IPC分类号： A01N45/00 , A61K31/59 , A61K31/41
CPC分类号： G01N33/82 , Y10T436/20 , Y10T436/200833 , Y10T436/203332 , Y10T436/24 , Y10T436/25 , Y10T436/25375 , Y10T436/255 , Y10T436/25875
摘要： Quantification of vitamin D2, vitamin D3, and the monohydroxy and diihydroxy metabolites of vitamin D2 and vitamin D3, can comprise labeling analytes with mass spectrometry (MS) tagging reagents and performing LC-MSMS analysis of the labeled analytes. The labeled analytes can include a labeled standard and can have distinct retention times on a reversed phase column, as well as distinct masses. Under high energy collisions, reporter groups can be generated. The intensity or the peak area detected for each reporter group can be used for quantitation. In some embodiments, a one-step tagging reagent is used that is a dienophile-containing, labeled Diels Alder reagent.
摘要翻译：维生素D 2，维生素D 3以及维生素D 2和维生素D 3的单羟基和二羟基代谢物的定量可以包括用质谱（MS）标记试剂标记分析物并且对标记物进行LC-MSMS分析分析物。标记的分析物可以包括标记的标准品，并且可以在反相色谱柱上具有不同的保留时间，以及不同的质量。在高能量碰撞下，可以生成记者组。每个报道基团检测到的强度或峰面积可用于定量。在一些实施方案中，使用一步标记试剂，其为含有亲二烯的标记Diels Alder试剂。

3. 发明申请

WO2010141075A1 SPECIFIC ANALYSIS OF KETONE AND ALDEHYDE ANALYTES USING REAGENT COMPOUNDS LABELING STRATEGIES, AND MASS SPECTROMETRY WORKFLOW 审中-公开
标题翻译：使用试剂化合物标记策略和大量光谱仪工作流程的酮和阿尔代氏分析仪的具体分析
公开(公告)号：WO2010141075A1
公开(公告)日：2010-12-09
申请号：PCT/US2010/001598
申请日：2010-06-01
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , DEY, Subhakar , PILLAI, Sasi , WILLIAMSON, Brian, L. , PURKAYASTHA, Subhasish , WEINSTOCK, Michal
发明人： DEY, Subhakar , PILLAI, Sasi , WILLIAMSON, Brian, L. , PURKAYASTHA, Subhasish , WEINSTOCK, Michal
IPC分类号： G01N37/00
CPC分类号： G01N30/72 , G01N27/62 , G01N33/64 , G01N33/743 , G01N2030/045 , G01N2030/884 , H01J49/00 , H01J49/0045 , H01J49/164 , Y10T436/147777 , Y10T436/200833
摘要： Labeling reagents, sets of labeling reagents, and labeling techniques are provided for the relative quantitation, absolute quantitation, or both, of ketone or aldehyde compounds including, but not limited to, analytes comprising steroids or ketosteroids. The analytes can be medical or pharmaceutical compounds in biological samples. Methods for labeling, analyzing, and quantifying ketone or aldehyde compounds are also disclosed as are methods that also use mass spectrometry.
摘要翻译：提供了标记试剂，一组标记试剂和标记技术用于酮或醛化合物的相对定量，绝对定量或两者，包括但不限于包含类固醇或酮类固醇的分析物。分析物可以是生物样品中的医药或药物化合物。还公开了用于标记，分析和定量酮或醛化合物的方法，也是也使用质谱法的方法。

4. 发明申请

WO2011047150A1 MASS SPECTROMETRY QUANTITATION OF P450 PROTEIN ISOFORMS IN HEPATOCYTES 审中-公开
标题翻译： P450蛋白质蛋白质在质谱中的质谱测定
公开(公告)号：WO2011047150A1
公开(公告)日：2011-04-21
申请号：PCT/US2010/052665
申请日：2010-10-14
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , WILLIAMSON, Brian, L. , PURKAYASTHA, Subhasish
发明人： WILLIAMSON, Brian, L. , PURKAYASTHA, Subhasish
IPC分类号： C07K7/00 , G01N30/72 , G01N33/00
CPC分类号： C12Q1/26 , C12N9/0077 , G01N30/7233 , G01N33/502 , G01N33/5023 , G01N33/5067 , G01N33/6848 , G01N2030/8831 , G01N2333/90245 , G01N2500/04 , G01N2500/10 , G01N2500/20 , G01N2560/00 , Y10T436/24
摘要： A method for screening a drug for cytochrome P45O (CYP) induction is provided and can include incubating the drug with a microsome-containing biological sample and then quantitating at least one cytochrome P45G isoform. The isofoms can be selected from 2B6, 3A4, ] A2, and 3A5 isoforms. In some embodiments, the method uses liquid chromatography tandem mass spectrometry (LC-MSMS). A quantitated value can be compared to a threshold value and the drug can be determined to exhibit an acceptable CYP induction potential when the quantitated value does not exceed the threshold value. Isolated peptides are also provided.
摘要翻译：提供了用于筛选细胞色素P45O（CYP）诱导的药物的方法，并且可以包括将该药物与含有微粒体的生物样品孵育，然后定量至少一种细胞色素P45G同种型。异构体可以选自2B6,3A4，] A2和3A5同种型。在一些实施方案中，该方法使用液相色谱串联质谱（LC-MSMS）。可以将定量值与阈值进行比较，并且当定量值不超过阈值时，可以确定药物表现出可接受的CYP诱导电位。还提供了分离的肽。

5. 发明申请

WO2013033713A1 SYSTEM AND METHOD FOR THE DETECTION OF ALLERGENS 审中-公开
标题翻译：用于检测过敏原的系统和方法
公开(公告)号：WO2013033713A1
公开(公告)日：2013-03-07
申请号：PCT/US2012/053689
申请日：2012-09-04
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , LOCK, Stephen J. , PURKAYASTHA, Subhasish , WILLIAMSON, Brian L. , DONG, Keling
发明人： LOCK, Stephen J. , PURKAYASTHA, Subhasish , WILLIAMSON, Brian L. , DONG, Keling
IPC分类号： G01N33/68 , G01N30/72 , C12Q1/37
CPC分类号： G01N33/6848 , G01N30/7233 , G01N2030/8831 , G01N2333/415 , G01N2333/4713 , G01N2333/4731 , G01N2333/77 , G01N2333/976 , G01N2800/24
摘要： Methods and systems for detecting allergens using mass spectrometry are provided herein. In some aspects, a sample can be screened for the presence or quantity of ovalbumin, lysozyme, casein (isoform S1 and S2), lactoglobulin, high and low glutens, wheat, rye, oats, barley, mustard, sesame, and various types of nuts including macadamia, pistachio, brazil, walnuts, peanuts and hazelnuts by detecting one or more peptides specific to the allergen of interest using selected MRM transitions.
摘要翻译：本文提供了使用质谱检测过敏原的方法和系统。在一些方面，可以筛选样品的卵白蛋白，溶菌酶，酪蛋白（同种型S1和S2），乳球蛋白，高低谷蛋白，小麦，黑麦，燕麦，大麦，芥末，芝麻和各种类型的通过使用选择的MRM转变检测感兴趣的变应原特异性的一种或多种肽，包括澳洲坚果，开心果，巴西，核桃，花生和榛子。

6. 发明申请

WO2011075530A1 ANALYSIS OF AMINO ACIDS AND AMINE-CONTAINING COMPOUNDS USING TAGGING REAGENTS AND LC-MS WORKFLOW 审中-公开
标题翻译：使用标签试剂和LC-MS工作流分析氨基酸和含胺化合物
公开(公告)号：WO2011075530A1
公开(公告)日：2011-06-23
申请号：PCT/US2010/060539
申请日：2010-12-15
申请人： DH TECHNOLOGIES DEVELOPMENT PTE. LTD. , DANIELS, Scott , PURKAYASTHA, Subhasish
发明人： DANIELS, Scott , PURKAYASTHA, Subhasish
IPC分类号： B01D59/44 , C12Q1/68
CPC分类号： C07D403/12 , C07D207/46 , G01N33/6848 , H01J49/00 , Y10T436/173845 , Y10T436/25 , Y10T436/25375
摘要： A plurality of mass differential tagging reagents is used to label amine functionality in amine-containing compounds. The labeled analytes have distinct retention times on a reversed phase column, and distinct masses. Under high energy collision, reporter groups can be generated and the intensity or the peak area detected for each reporter group can be used for quantitation. One exemplary set of reagents includes a set of three different mass differential reagents comprising tagging weights of (140) atomic mass units, (144) atomic mass units, and (148) atomic mass units, respectively, with reporter groups of (113, 117, and 121) atomic mass units, respectively. A package including each of the mass differential reagents is also provided and can include separate respective containers, for example, one for each of the different reagents. The package can also include one or more standards each comprising a respective known concentration of a respective known amine-containing compound.
摘要翻译：使用多个质量差异标签试剂来标记含胺化合物中的胺官能度。标记的分析物在反相柱上具有不同的保留时间，并且具有不同的质量。在高能量碰撞下，可以产生报告基团，并且可以将每个报道组检测到的强度或峰面积用于定量。一组示例性试剂包括一组三种不同的质量差示试剂，分别包括（140）原子质量单位，（144）原子质量单位和（148）原子质量单位的标记重量，报告基团为（113,117 ，和121）原子质量单位。还提供了包括每个质量差异试剂的包装，并且可以包括单独的相应容器，例如每种不同试剂的容器。包装还可以包括一种或多种标准，其各自包含各自已知浓度的相应已知的含胺化合物。

7. 发明申请

WO2008105896A2 ANALYTE DETERMINATION UTILIZING MASS TAGGING REAGENTS COMPRISING A NON-ENCODED DETECTABLE LABEL 审中-公开
标题翻译：使用包含非编码可检测标签的质量测定试剂进行的分析确定
公开(公告)号：WO2008105896A2
公开(公告)日：2008-09-04
申请号：PCT/US2007/072494
申请日：2007-06-29
申请人： APPLERA CORPORATION , PURKAYASTHA, Subhasish , DEY, Subhakar
发明人： PURKAYASTHA, Subhasish , DEY, Subhakar
IPC分类号： C07D493/10
CPC分类号： C09B11/24 , C07D493/10 , C12Q1/34 , G01N33/58 , G01N33/6848
摘要： This invention pertains to methods, mixtures, kits and compositions pertaining to analyte determination and/or quantification by mass spectrometry using compounds comprising a reporter moiety and a non-encoded detectable label. The compounds can be used in sets for the analysis of mixtures of labeled analytes.
摘要翻译：本发明涉及使用包含报道部分和非编码可检测标记的化合物通过质谱分析确定和/或定量分析物的方法，混合物，试剂盒和组合物。这些化合物可以成套用于分析标记分析物的混合物。

8. 发明申请

WO2007100506A2 MASS TAGS FOR QUANTITATIVE ANALYSES 审中-公开
标题翻译：量词分析的质量标签
公开(公告)号：WO2007100506A2
公开(公告)日：2007-09-07
申请号：PCT/US2007/003990
申请日：2007-02-15
申请人： APPLERA CORPORATION , YAN, Xiongwei , YUAN, Pau-Miau , YUEN, Sylvia, W. , HSI, Kuo-liang , LAM, Joe, Y. , UPADHYA, Krishna, G. , DEY, Subhakar , PAPPIN, Darryl, J.C. , PILLAI, Sasi , HUANG, Helena , PURKAYASTHA, Subhasish
发明人： YAN, Xiongwei , YUAN, Pau-Miau , YUEN, Sylvia, W. , HSI, Kuo-liang , LAM, Joe, Y. , UPADHYA, Krishna, G. , DEY, Subhakar , PAPPIN, Darryl, J.C. , PILLAI, Sasi , HUANG, Helena , PURKAYASTHA, Subhasish
CPC分类号： C07D295/185 , C07B2200/05 , C07D239/54 , C07D239/553 , C07K5/0806 , C07K5/1013 , C07K7/06 , C07K7/08 , G01N33/6848 , G01N2458/15 , Y10T436/143333 , Y10T436/24
摘要： This invention pertains to methods, mixtures, kits and/or compositions for the determination of analytes by mass analysis using unique labeling reagents or sets of unique labeling reagents. The labeling reagents can be isomeric or isobaric and can be used to produce mixtures suitable for multiplex analysis of the labeled analytes.
摘要翻译：本发明涉及通过使用独特标记试剂或独特标记试剂组的质量分析来测定分析物的方法，混合物，试剂盒和/或组合物。标记试剂可以是异构体或同量异构体，并且可用于产生适于多重分析标记分析物的混合物。

9. 发明申请

WO2008005846A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION 审中-公开
标题翻译：方法，混合物，用于分析确定的组合物和组合物
公开(公告)号：WO2008005846A2
公开(公告)日：2008-01-10
申请号：PCT/US2007/072503
申请日：2007-06-29
申请人： APPLERA CORPORATION , PURKAYASTHA, Subhasish , DEY, Subhakar , DANIELS, Scott, B.
发明人： PURKAYASTHA, Subhasish , DEY, Subhakar , DANIELS, Scott, B.
IPC分类号： C07D295/185 , C07D295/15 , G01N33/58
CPC分类号： C07D295/185 , C07D295/15 , G01N33/6848 , G01N2458/15 , Y10T436/173845 , Y10T436/24
摘要： This invention pertains to methods, mixtures, kits and compositions pertaining to analyte determination by mass spectrometry using labeling reagents that comprise a nucleophilic reactive group that reacts with a functional group of an analyte to produce a labeled analyte. The labeling reagents can be used as isobaric sets, mass differential labeling sets or in a combination of isobaric and mass differential labeling sets.
摘要翻译：本发明涉及通过使用包括与分析物的官能团反应产生标记的分析物的亲核反应性基团的标记试剂通过质谱法分析物测定的方法，混合物，试剂盒和组合物。标记试剂可用作同量异位置组，质量差异标记集或同量异步和质量差异标记集的组合。

10. 发明申请

WO2007087534A2 METHODS, MIXTURES, KITS AND COMPOSITIONS PERTAINING TO ANALYTE DETERMINATION 审中-公开
标题翻译：方法，混合物，用于分析确定的组合物和组合物
公开(公告)号：WO2007087534A2
公开(公告)日：2007-08-02
申请号：PCT/US2007/060921
申请日：2007-01-23
申请人： APPLERA CORPORATION , PILLAI, Sasi, K. , DEY, Subhakar , PURKAYASTHA, Subhasish , PAPPIN, Darryl, J.C.
发明人： PILLAI, Sasi, K. , DEY, Subhakar , PURKAYASTHA, Subhasish , PAPPIN, Darryl, J.C.
IPC分类号： A61K31/165
CPC分类号： C07D295/15 , C07D403/12 , G01N33/58 , G01N33/6848
摘要： This invention pertains to methods, mixtures, kits and compositions pertaining to analyte determination by mass spectrometry.
摘要翻译：本发明涉及通过质谱法分析物测定的方法，混合物，试剂盒和组合物。

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