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    TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS
    2.
    发明申请
    TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS 审中-公开
    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

    Applicant: APPLERA CORP ,  PURKAYASTHA SUBHASISH

    Inventor： PURKAYASTHA SUBHASISH

    IPC: C40B30/10 ,  C07C265/04 ,  C07C401/00 ,  C07C405/00 ,  C07D295/15 ,  C07J43/00 ,  C40B70/00 ,  G01N33/74

    CPC classification number: C07C401/00 ,  C07B2200/05 ,  C07C269/02 ,  C07C271/64 ,  C07C405/00 ,  C07D295/15 ,  C07J43/00 ,  Y10T436/13

    Abstract: 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.

    Abstract translation: 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。

    COMPOSITION, METHOD, AND KIT FOR CALIBRATING A MASS SPECTROMETER
    3.
    发明申请
    COMPOSITION, METHOD, AND KIT FOR CALIBRATING A MASS SPECTROMETER 审中-公开
    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

    Applicant: DH TECHNOLOGIES DEV PTE LTD ,  DEY SUBHAKAR N ,  MINKOFF MARJORIE S ,  PILLAI SASI K ,  PURKAYASTHA SUBHASISH ,  WILLIAMSON BRIAN L

    IPC: H01J49/04 ,  G01N27/62

    CPC classification number: H01J49/0009 ,  H01J49/0027

    Abstract: 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.

    Abstract translation: 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。

    MASS TAG REAGENTS FOR SIMULTANEOUS QUANTITATION AND IDENTIFICATION OF SMALL MOLECULES
    4.
    发明申请
    MASS TAG REAGENTS FOR SIMULTANEOUS QUANTITATION AND IDENTIFICATION OF SMALL MOLECULES 审中-公开
    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

    Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD. ,  DEY, Subhakar ,  PURKAYASTHA, Subhasish

    Inventor： DEY, Subhakar ,  PURKAYASTHA, Subhasish

    IPC: G01N37/00

    CPC classification number: G01N33/743 ,  G01N33/6848 ,  G01N2458/15 ,  G01N2560/00 ,  Y10T436/10 ,  Y10T436/13 ,  Y10T436/17 ,  Y10T436/18 ,  Y10T436/20 ,  Y10T436/200833 ,  Y10T436/24

    Abstract: 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.

    Abstract translation: 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。

    ANALYSIS OF AMINO ACIDS AND AMINE-CONTAINING COMPOUNDS USING TAGGING REAGENTS AND LC-MS WORKFLOW
    8.
    发明申请
    ANALYSIS OF AMINO ACIDS AND AMINE-CONTAINING COMPOUNDS USING TAGGING REAGENTS AND LC-MS WORKFLOW 审中-公开
    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

    Applicant: DH TECHNOLOGIES DEVELOPMENT PTE. LTD. ,  DANIELS, Scott ,  PURKAYASTHA, Subhasish

    Inventor： DANIELS, Scott ,  PURKAYASTHA, Subhasish

    IPC: B01D59/44 ,  C12Q1/68

    CPC classification number: C07D403/12 ,  C07D207/46 ,  G01N33/6848 ,  H01J49/00 ,  Y10T436/173845 ,  Y10T436/25 ,  Y10T436/25375

    Abstract: 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.

    Abstract translation: 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。

    THYROXINE-CONTAINING COMPOUND ANALYSIS METHODS
    9.
    发明申请
    THYROXINE-CONTAINING COMPOUND ANALYSIS METHODS 审中-公开
    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

    Applicant: APPLERA CORP ,  PURKAYASTHA SUBHASISH

    Inventor： PURKAYASTHA SUBHASISH

    IPC: G01N33/78 ,  G01N33/68

    CPC classification number: G01N33/6848 ,  Y10T436/19 ,  Y10T436/200833

    Abstract: 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.

    Abstract translation: 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。

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