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1. 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。

2. 发明申请

WO2007140380A3 TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS 审中-公开
标题翻译：标签试剂和羟化化合物的方法
公开(公告)号：WO2007140380A3
公开(公告)日：2008-07-10
申请号：PCT/US2007069903
申请日：2007-05-29
申请人： APPLERA CORP , PURKAYASTHA SUBHASISH
发明人： PURKAYASTHA SUBHASISH
IPC分类号： C40B30/10 , C07C265/04 , C07C401/00 , C07C405/00 , C07D295/15 , C07J43/00 , C40B70/00 , G01N33/74
CPC分类号： C07C401/00 , C07B2200/05 , C07C269/02 , C07C271/64 , C07C405/00 , C07D295/15 , C07J43/00 , Y10T436/13
摘要： In various aspects, the present teachings provide labeling reagents and sets of labeling reagents containing one or more heavy atom isotopes for the relative quantitation, absolute quantitation, or both, of hydroxylated compounds including, but not limited to, hydroxylated ring containing compounds, steroids and sterols. In various aspects, the present teachings also provide methods for the analysis hydroxylated compounds including, but not limited to, hydroxylated ring containing compounds, steroids and sterols my MS/MS methods, in particular using mass differential tags.
摘要翻译：在各个方面，本教导提供标记试剂和含有一个或多个重原子同位素的标记试剂组，用于羟基化化合物的相对定量，绝对定量或两者，包括但不限于含羟基化的环化合物，类固醇和固醇。在各个方面，本教导还提供用于分析羟基化化合物的方法，包括但不限于羟基化的环化合物，类固醇和固醇，我的MS / MS方法，特别是使用质量差异标签。

3. 发明申请

WO2012135682A2 COMPOSITION, METHOD, AND KIT FOR CALIBRATING A MASS SPECTROMETER 审中-公开
标题翻译：用于校准质谱仪的组合物，方法和试剂盒
公开(公告)号：WO2012135682A2
公开(公告)日：2012-10-04
申请号：PCT/US2012031553
申请日：2012-03-30
申请人： DH TECHNOLOGIES DEV PTE LTD , DEY SUBHAKAR N , MINKOFF MARJORIE S , PILLAI SASI K , PURKAYASTHA SUBHASISH , WILLIAMSON BRIAN L
IPC分类号： H01J49/04 , G01N27/62
CPC分类号： H01J49/0009 , H01J49/0027
摘要： A composition, method, and kit for calibrating a mass spectrometer including a predetermined concentration of a calibrant having a mixture of amino acid polyethylene glycol compounds and a solvent for dissolving the calibrant. The calibrant can be used in either positive or negative ionization mode, and it can be used in calibrating an atmospheric pressure chemical ionization or an electrospray mass spectrometer. The calibrant can include a mixture to enable calibration across a broad range of masses.
摘要翻译：用于校准质谱仪的组合物，方法和试剂盒，其包括具有氨基酸聚乙二醇化合物和用于溶解校准物的溶剂的混合物的校准物的预定浓度。校准液可用于正离子或负离子模式，可用于校准大气压化学电离或电喷雾质谱仪。校准物可以包括混合物以使得能够在宽范围的质量范围内进行校准。

4. 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。

5. 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。

6. 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。

7. 发明申请

WO2010141075A8 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醛分析仪的具体分析
公开(公告)号：WO2010141075A8
公开(公告)日：2011-10-27
申请号：PCT/US2010001598
申请日：2010-06-01
申请人： DH TECHNOLOGIES DEV 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。

8. 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。

9. 发明申请

WO2008022205A2 THYROXINE-CONTAINING COMPOUND ANALYSIS METHODS 审中-公开
标题翻译：含噻咯化合物的分析方法
公开(公告)号：WO2008022205A2
公开(公告)日：2008-02-21
申请号：PCT/US2007076016
申请日：2007-08-15
申请人： APPLERA CORP , PURKAYASTHA SUBHASISH
发明人： PURKAYASTHA SUBHASISH
IPC分类号： G01N33/78 , G01N33/68
CPC分类号： G01N33/6848 , Y10T436/19 , Y10T436/200833
摘要： The present teachings provide methods for analyzing one or more thyroxine compounds in one or more samples using isobaric labels and parent-daughter ion transition monitoring (PDITM). In various embodiments, the methods comprise the steps of: (a) labeling one or more thyroxine compounds with different isobaric tags from a set of isobaric tags, each isobaric tag comprising a reporter ion portion; (b) combining at least a portion of each of the isobarically labeled thyroxine compounds to produce a combined sample; (c) subjecting at least a portion of the combined sample to PDITM; (d) measuring the ion signal of one or more of the transmitted reporter ions; and (e) determining the concentration of one or more of the isobarically labeled thyroxine compounds based at least on a comparison of the measured ion signal of the corresponding reporter ion to one or more measured ion signals of a standard compound.
摘要翻译：本教导提供了使用等压标记和亲 - 子离子跃迁监测（PDITM）在一个或多个样品中分析一种或多种甲状腺素化合物的方法。在各种实施方案中，所述方法包括以下步骤：（a）从一组等压标签的一组标记一种或多种具有不同等压标签的甲状腺素化合物，每个等压标签包含报道离子部分; （b）将每个等压标记的甲状腺素化合物的至少一部分合并以产生组合的样品; （c）使组合样品的至少一部分经受PDITM; （d）测量一个或多个所传递的报道离子的离子信号; 至少基于相应报道离子的测量离子信号与标准化合物的一个或多个测量离子信号的比较，确定一种或多种等量标记的甲状腺素化合物的浓度。

10. 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。

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