HK1135058A1 - Ion detection and parameter estimation for n-dimensional data - Google Patents

Ion detection and parameter estimation for n-dimensional data

Info

Publication number
HK1135058A1
HK1135058A1 HK10101458.1A HK10101458A HK1135058A1 HK 1135058 A1 HK1135058 A1 HK 1135058A1 HK 10101458 A HK10101458 A HK 10101458A HK 1135058 A1 HK1135058 A1 HK 1135058A1
Authority
HK
Hong Kong
Prior art keywords
dimensional data
parameter estimation
ion detection
data
ion
Prior art date
Application number
HK10101458.1A
Other languages
English (en)
Inventor
Marc V Gorenstein
Guo-Zhong Li
Original Assignee
Waters Technologies Corp
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Waters Technologies Corp filed Critical Waters Technologies Corp
Publication of HK1135058A1 publication Critical patent/HK1135058A1/xx

Links

Classifications

    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/26Mass spectrometers or separator tubes
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/20Identification of molecular entities, parts thereof or of chemical compositions
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/0027Methods for using particle spectrometers
    • H01J49/0036Step by step routines describing the handling of the data generated during a measurement
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/02Details
    • GPHYSICS
    • G06COMPUTING; CALCULATING OR COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00Aspects of pattern recognition specially adapted for signal processing
    • GPHYSICS
    • G06COMPUTING; CALCULATING OR COUNTING
    • G06FELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00Aspects of pattern recognition specially adapted for signal processing
    • G06F2218/08Feature extraction
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70Machine learning, data mining or chemometrics

Landscapes

  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Image Processing (AREA)
HK10101458.1A 2006-05-26 2010-02-09 Ion detection and parameter estimation for n-dimensional data HK1135058A1 (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US80890106P 2006-05-26 2006-05-26
PCT/US2007/069784 WO2007140327A2 (en) 2006-05-26 2007-05-25 Ion detection and parameter estimation for n-dimensional data

Publications (1)

Publication Number Publication Date
HK1135058A1 true HK1135058A1 (en) 2010-05-28

Family

ID=38779384

Family Applications (1)

Application Number Title Priority Date Filing Date
HK10101458.1A HK1135058A1 (en) 2006-05-26 2010-02-09 Ion detection and parameter estimation for n-dimensional data

Country Status (6)

Country Link
US (3) US8178834B2 (zh)
EP (1) EP2024064B1 (zh)
JP (1) JP5542433B2 (zh)
CN (1) CN101534933B (zh)
HK (1) HK1135058A1 (zh)
WO (1) WO2007140327A2 (zh)

Families Citing this family (69)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20020115056A1 (en) * 2000-12-26 2002-08-22 Goodlett David R. Rapid and quantitative proteome analysis and related methods
GB0305796D0 (en) 2002-07-24 2003-04-16 Micromass Ltd Method of mass spectrometry and a mass spectrometer
US7645984B2 (en) * 2004-02-13 2010-01-12 Waters Technologies Corporation Apparatus and method for identifying peaks in liquid chromatography/mass spectrometry data and for forming spectra and chromatograms
EP2024064B1 (en) * 2006-05-26 2014-11-19 Waters Technologies Corporation Ion detection and parameter estimation for liquid chromatography - ion mobility spectrometry - mass spectrometry data
US20090199620A1 (en) * 2006-06-08 2009-08-13 Shimadzu Corporation Chromatograph mass analysis data processing apparatus
US7501621B2 (en) * 2006-07-12 2009-03-10 Leco Corporation Data acquisition system for a spectrometer using an adaptive threshold
US8067731B2 (en) * 2008-03-08 2011-11-29 Scott Technologies, Inc. Chemical detection method and system
WO2009146345A1 (en) * 2008-05-29 2009-12-03 Waters Technologies Corporation Techniques for performing retention-time matching of precursor and product ions and for constructing precursor and product ion spectra
JP4973628B2 (ja) * 2008-08-29 2012-07-11 株式会社島津製作所 クロマトグラフ質量分析データ解析方法及び装置
DE102008046139B4 (de) * 2008-09-05 2024-03-28 Thermo Fisher Scientific (Bremen) Gmbh Verfahren zur quantitativen Bestimmung einer Substanz durch Massenspektrometrie
GB0909289D0 (en) * 2009-05-29 2009-07-15 Micromass Ltd Method of processing mass spectral data
DE102009035587B3 (de) * 2009-07-31 2011-03-24 Siemens Aktiengesellschaft Verfahren zur Filterung eines Chromatogramms
CN102667789A (zh) * 2009-10-02 2012-09-12 梅塔博隆有限公司 用于分析复杂混合物中小分子成分的设备和相关方法
US8934663B2 (en) * 2009-10-29 2015-01-13 Optimark, L.L.C. Digital watermarking
CN102109491B (zh) * 2009-12-24 2013-03-27 同方威视技术股份有限公司 离子迁移谱检测仪的基于离子图序列的物质识别方法
WO2011091023A1 (en) 2010-01-20 2011-07-28 Waters Technologies Corporation Techniques for efficient fragmentation of peptides
GB201002447D0 (en) * 2010-02-12 2010-03-31 Micromass Ltd Mass spectrometer
US8706426B2 (en) * 2010-04-16 2014-04-22 University Of Central Florida Research Foundation, Inc. Systems and methods for identifying classes of substances
WO2011155984A1 (en) * 2010-06-11 2011-12-15 Waters Technologies Corporation Techniques for mass spectrometry peak list computation using parallel processing
GB2485187A (en) * 2010-11-04 2012-05-09 Agilent Technologies Inc Displaying chromatography data
GB201100301D0 (en) * 2011-01-10 2011-02-23 Micromass Ltd Method of processing multidmensional mass spectrometry data
JP5556695B2 (ja) * 2011-02-16 2014-07-23 株式会社島津製作所 質量分析データ処理方法及び該方法を用いた質量分析装置
DE112012001185B4 (de) * 2011-03-11 2014-08-28 Leco Corporation Systeme und Verfahren zur Datenverarbeitung in Chromatographiesystemen
US9812306B2 (en) 2011-08-17 2017-11-07 Smiths Detection Inc. Shift correction for spectral analysis
EP2786130A4 (en) 2011-11-28 2015-08-12 Waters Technologies Corp TECHNIQUES FOR QUANTIFICATION OF SAMPLES
EP2823748B1 (en) * 2012-03-07 2018-12-19 Olympus Corporation Optical measurement device and method for associating fiber bundle
US9640374B2 (en) * 2012-03-09 2017-05-02 Torion Technologies, Inc. Deconvolution and identification algorithms for use on spectroscopic data
GB201205009D0 (en) 2012-03-22 2012-05-09 Micromass Ltd Multi-dimensional survey scans for improved data dependent acquisitions (DDA)
US9653271B2 (en) 2012-06-07 2017-05-16 Waters Technologies Corporation Methods and apparatus for performing mass spectrometry
EP2741224A1 (en) * 2012-11-20 2014-06-11 Thermo Finnigan LLC Methods for generating local mass spectral libraries for interpreting multiplexed mass spectra
US10860526B2 (en) * 2012-12-01 2020-12-08 The Regents Of The University Of California System and method of managing large data files
JP5997650B2 (ja) 2013-04-15 2016-09-28 株式会社日立ハイテクノロジーズ 分析システム
WO2015019161A1 (en) * 2013-08-09 2015-02-12 Dh Technologies Development Pte. Ltd. Intensity correction for tof data acquisition
CN105518448B (zh) * 2013-09-04 2018-04-10 株式会社岛津制作所 色谱质谱分析用数据处理装置
US9143162B2 (en) 2013-11-05 2015-09-22 Waters Technologies Corporation Techniques for compressing mass spectrometry data in real-time
EP3149762A1 (en) * 2014-05-30 2017-04-05 Metabolon, Inc. Method for analyzing small molecule components of a complex mixture in a multi-sample process, and associated apparatus and computer program product
WO2015191390A1 (en) * 2014-06-09 2015-12-17 Water Technologies Corporation Method to remove ion interferences
EP3155638B1 (en) 2014-06-13 2023-09-20 Waters Technologies Corporation Analysis of complex biological matrices through targeting and advanced precursor and product ion alignment
EP3155637A4 (en) 2014-06-13 2018-03-07 Waters Technologies Corporation Intelligent target-based acquisition
WO2015191993A1 (en) * 2014-06-13 2015-12-17 Waters Technologies Corporation System and method for enhancing charge-state determination in electrospray mass spectrometry
EP3198627A1 (en) * 2014-09-26 2017-08-02 Micromass UK Limited Accurate mobility chromatograms
CN105574474B (zh) * 2014-10-14 2019-03-12 中国科学院大连化学物理研究所 一种基于质谱信息的生物特征图像识别方法
CN105572212B (zh) * 2014-10-14 2018-12-07 中国科学院大连化学物理研究所 一种基于可视化质谱信息的生晒参和红参快速识别方法
CN105844328B (zh) * 2015-01-15 2021-03-02 开利公司 用于自动试运行人员计数系统的方法和系统
GB201509209D0 (en) 2015-05-28 2015-07-15 Micromass Ltd Echo cancellation for time of flight analogue to digital converter
GB2539871A (en) * 2015-05-29 2017-01-04 Micromass Ltd A method of mass spectrometry
WO2017187547A1 (ja) * 2016-04-27 2017-11-02 株式会社島津製作所 データ処理方法及び装置
CN109073615B (zh) * 2016-05-02 2021-11-23 株式会社岛津制作所 数据处理装置
JP6637393B2 (ja) * 2016-07-29 2020-01-29 日本電子株式会社 四重極型質量分析計及び質量分析方法
US11183376B2 (en) * 2016-11-23 2021-11-23 Atonarp Inc. System and method for determining set of mass to charge ratios for set of gases
US9779922B1 (en) * 2017-01-17 2017-10-03 Advion Inc. Generation of discovery ion currents and mass spectrometry and uses thereof
CN106950315B (zh) * 2017-04-17 2019-03-26 宁夏医科大学 基于uplc-qtof快速表征样品中化学成分的方法
PT3724654T (pt) * 2017-12-15 2024-06-20 Metabolon Inc Método para analisar componentes de moléculas pequenas de uma mistura complexa, e aparelho e produto de programa de computador associados
US11404259B2 (en) * 2018-02-19 2022-08-02 Cerno Bioscience Llc Reliable and automatic mass spectral analysis
CN108614064B (zh) * 2018-04-10 2019-07-16 华南理工大学 一种二维色谱峰的检测方法及其应用
KR102157348B1 (ko) * 2018-12-20 2020-09-18 한국과학기술연구원 모발시료 처리 및 이차이온질량분석을 이용한 모발증거물 감식방법
JP2020139789A (ja) * 2019-02-27 2020-09-03 株式会社島津製作所 微生物分析用試料の調製方法、微生物の分析方法、微生物の識別方法および微生物分析用キット
WO2020180424A1 (en) 2019-03-04 2020-09-10 Iocurrents, Inc. Data compression and communication using machine learning
US12080533B2 (en) 2019-05-31 2024-09-03 Dh Technologies Development Pte. Ltd. Method for real time encoding of scanning SWATH data and probabilistic framework for precursor inference
BR112022002283A2 (pt) * 2019-08-08 2022-04-26 Hoffmann La Roche Método implementado por computador para integração automática, linha de processamento implementável por computador para integração automática e sistema de espectrometria de massa
US20210190740A1 (en) * 2019-12-19 2021-06-24 Bio-Rad Laboratories, Inc. Automated chromatogram analysis for blood test evaluation
CN111490752B (zh) * 2020-04-22 2024-02-02 广西科技大学 一种用于数字滤波器求取光谱导数的方法
CN115605749A (zh) * 2020-05-25 2023-01-13 株式会社岛津制作所(Jp) 色谱质量分析数据处理方法、色谱质量分析装置及色谱质量分析数据处理用程序
WO2022003890A1 (ja) * 2020-07-02 2022-01-06 株式会社島津製作所 イメージング質量分析装置及びイメージング質量分析データ処理方法
JP7249980B2 (ja) 2020-10-26 2023-03-31 日本電子株式会社 マススペクトル処理装置及び方法
CN113138248B (zh) * 2021-04-25 2022-08-02 贵州中烟工业有限责任公司 特征图谱提取方法及料液配制质量稳定性的检测方法
CN113960152B (zh) * 2021-10-18 2023-06-06 北方工业大学 一种基于离子迁移谱的痕量爆炸物识别方法及系统
GB2617318A (en) * 2022-03-30 2023-10-11 Thermo Fisher Scient Bremen Gmbh Analysis of time-of-flight mass spectra
CN116257745B (zh) * 2023-05-10 2023-08-15 杭州致成电子科技有限公司 一种负荷电流极端异常数据处理方法和装置

Family Cites Families (16)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5440119A (en) 1992-06-02 1995-08-08 Labowsky; Michael J. Method for eliminating noise and artifact peaks in the deconvolution of multiply charged mass spectra
US6960761B2 (en) * 1997-06-02 2005-11-01 Advanced Research & Technology Institute Instrument for separating ions in time as functions of preselected ion mobility and ion mass
DE19803309C1 (de) * 1998-01-29 1999-10-07 Bruker Daltonik Gmbh Massenspektrometrisches Verfahren zur genauen Massenbestimmung unbekannter Ionen
CN1262337C (zh) 2000-11-16 2006-07-05 赛弗根生物系统股份有限公司 质谱分析方法
US6787761B2 (en) 2000-11-27 2004-09-07 Surromed, Inc. Median filter for liquid chromatography-mass spectrometry data
US6873915B2 (en) 2001-08-24 2005-03-29 Surromed, Inc. Peak selection in multidimensional data
US6835927B2 (en) 2001-10-15 2004-12-28 Surromed, Inc. Mass spectrometric quantification of chemical mixture components
WO2003087770A2 (en) * 2002-04-12 2003-10-23 Northeastern University Matched filtration with experimental noise determination for denoising, peak picking and quantitation in lc-ms
US6983213B2 (en) * 2003-10-20 2006-01-03 Cerno Bioscience Llc Methods for operating mass spectrometry (MS) instrument systems
US7684934B2 (en) * 2003-06-06 2010-03-23 The United States Of America As Represented By The Department Of Health And Human Services Pattern recognition of whole cell mass spectra
US7645984B2 (en) * 2004-02-13 2010-01-12 Waters Technologies Corporation Apparatus and method for identifying peaks in liquid chromatography/mass spectrometry data and for forming spectra and chromatograms
JP4246662B2 (ja) * 2004-04-15 2009-04-02 株式会社日立ハイテクノロジーズ 飛行時間型質量分析装置および分析方法
US7075064B2 (en) * 2004-05-24 2006-07-11 Brigham Young University System and method for extracting spectra from data produced by a spectrometer
JP4513488B2 (ja) * 2004-10-06 2010-07-28 株式会社日立製作所 イオンモビリティー分析装置及びイオンモビリティー分析方法
JP2006184275A (ja) 2004-11-30 2006-07-13 Jeol Ltd 質量分析方法および質量分析装置
EP2024064B1 (en) * 2006-05-26 2014-11-19 Waters Technologies Corporation Ion detection and parameter estimation for liquid chromatography - ion mobility spectrometry - mass spectrometry data

Also Published As

Publication number Publication date
US20120259557A1 (en) 2012-10-11
US8480110B2 (en) 2013-07-09
EP2024064A4 (en) 2012-01-04
CN101534933A (zh) 2009-09-16
EP2024064A2 (en) 2009-02-18
US8178834B2 (en) 2012-05-15
EP2024064B1 (en) 2014-11-19
WO2007140327A3 (en) 2008-04-10
US8766172B2 (en) 2014-07-01
WO2007140327A2 (en) 2007-12-06
JP2009539067A (ja) 2009-11-12
CN101534933B (zh) 2013-03-27
US20090294645A1 (en) 2009-12-03
US20140025342A1 (en) 2014-01-23
JP5542433B2 (ja) 2014-07-09

Similar Documents

Publication Publication Date Title
HK1135058A1 (en) Ion detection and parameter estimation for n-dimensional data
WO2008031110A3 (en) Method and apparatus for providing analyte sensor and data processing device
WO2005067582A3 (en) Methods and apparatus for enhanced sample identification based on combined analytical techniques
WO2008067395A3 (en) Practical ion mobility spectrometer apparatus and methods for chemical and/or biological detection
WO2008031106A3 (en) Method and system for providing an integrated analyte sensor insertion device and data processing unit
WO2008058084A3 (en) Analyte sensore method and apparatus
GB2454319C (en) Data processing apparatus and method.
WO2008122975A3 (en) Means and methods for detecting bacteria in a sample
EP1945093A4 (en) METHOD AND DEVICE FOR AN ANALYTICAL DETECTION APPARATUS
EP2114241A4 (en) METHOD AND SYSTEM FOR PROVIDING ANALYTE MONITORING
TW200737128A (en) Systems, methods, and apparatus for detection of tonal components
EP1868375A4 (en) IMAGE PROCESSING APPARATUS AND METHOD, PROGRAM AND RECORDING MEDIUM
EP1910949A4 (en) IMPROVED METHOD AND APPARATUS FOR ANALYZING SOCIOLOGICAL DATA
WO2008016691A3 (en) Methods and apparatus for treating samples with acoustic energy
EP1835419A4 (en) DEVICE, METHOD AND INFORMATION PROGRAM FOR INFORMATION PROCESSING
EP1947638A4 (en) METHOD AND DEVICE FOR INFORMATION PROCESSING, AND PROGRAM
EP1958185A4 (en) METHODS AND DEVICES FOR DISTINGUISHING HIGH QUALITY SAMPLING DATA FROM LOW QUALITY SAMPLING DATA
EP1865311A4 (en) PIEZOELECTRIC ELEMENT INSPECTION METHOD, INSPECTION DEVICE, AND POLARIZATION PROCESSING METHOD
WO2007120373A3 (en) Differential mobility spectrometer analyzer and pre-filter apparatus, methods and systems
GB2424952B (en) Method and apparatus for source and receiver side wave field separation
EP1942435A4 (en) INFORMATION PROCESSING DEVICE AND METHOD THEREFOR
EP1808858A4 (en) FILE MANUFACTURING SYSTEM, FILE WORKING PROCESS, PROGRAM AND RECORDING MEDIUM
GB0807469D0 (en) Apparatus and method for finding an appliance
EP3584740A4 (en) BIOLOGICAL CHARACTERISTIC DATA DETECTION METHOD, BIOLOGICAL CHARACTERISTIC RECOGNITION APPARATUS AND ELECTRONIC TERMINAL
EP1959358A4 (en) APPARATUS, METHOD AND PROGRAM FOR INFORMATION PROCESSING

Legal Events

Date Code Title Description
PC Patent ceased (i.e. patent has lapsed due to the failure to pay the renewal fee)

Effective date: 20220528