CA2583734C - Method of processing mass spectrometry data - Google Patents

Method of processing mass spectrometry data Download PDF

Info

Publication number
CA2583734C
CA2583734C CA2583734A CA2583734A CA2583734C CA 2583734 C CA2583734 C CA 2583734C CA 2583734 A CA2583734 A CA 2583734A CA 2583734 A CA2583734 A CA 2583734A CA 2583734 C CA2583734 C CA 2583734C
Authority
CA
Canada
Prior art keywords
data
frequency domain
mass spectrometry
transformed
mass
Prior art date
Legal status (The legal status 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 status listed.)
Expired - Fee Related
Application number
CA2583734A
Other languages
English (en)
French (fr)
Other versions
CA2583734A1 (en
Inventor
Oliver Lange
Michael W. Senko
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Thermo Finnigan LLC
Original Assignee
Thermo Finnigan LLC
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 Thermo Finnigan LLC filed Critical Thermo Finnigan LLC
Publication of CA2583734A1 publication Critical patent/CA2583734A1/en
Application granted granted Critical
Publication of CA2583734C publication Critical patent/CA2583734C/en
Anticipated expiration legal-status Critical
Expired - Fee Related legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16Z—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS, NOT OTHERWISE PROVIDED FOR
    • G16Z99/00—Subject matter not provided for in other main groups of this subclass
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/26—Mass spectrometers or separator tubes
    • H01J49/34—Dynamic spectrometers
    • H01J49/36—Radio frequency spectrometers, e.g. Bennett-type spectrometers, Redhead-type spectrometers
    • H01J49/38—Omegatrons ; using ion cyclotron resonance
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/0027—Methods for using particle spectrometers
    • H01J49/0036—Step by step routines describing the handling of the data generated during a measurement
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/02—Details
    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G06F2218/08—Feature extraction

Landscapes

  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
CA2583734A 2004-11-29 2005-11-23 Method of processing mass spectrometry data Expired - Fee Related CA2583734C (en)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
GB0426174A GB2422049B (en) 2004-11-29 2004-11-29 Method of processing mass spectrometry data
GB0426174.9 2004-11-29
PCT/US2005/042714 WO2006058198A2 (en) 2004-11-29 2005-11-23 Method of processing mass spectrometry data

Publications (2)

Publication Number Publication Date
CA2583734A1 CA2583734A1 (en) 2006-06-01
CA2583734C true CA2583734C (en) 2014-09-23

Family

ID=33561516

Family Applications (1)

Application Number Title Priority Date Filing Date
CA2583734A Expired - Fee Related CA2583734C (en) 2004-11-29 2005-11-23 Method of processing mass spectrometry data

Country Status (7)

Country Link
US (1) US7987060B2 (enExample)
EP (2) EP1817718B1 (enExample)
JP (2) JP5153338B2 (enExample)
CN (1) CN101088096B (enExample)
CA (1) CA2583734C (enExample)
GB (2) GB2422049B (enExample)
WO (1) WO2006058198A2 (enExample)

Families Citing this family (22)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
DE102007009272B3 (de) * 2007-02-26 2008-05-15 Bruker Daltonik Gmbh Auswertung von Spektren in Schwingungs-Massenspektrometern
EP2306180A4 (en) * 2008-06-23 2016-03-09 Atonarp Inc SYSTEM FOR MANAGING INFORMATION RELATING TO CHEMICALS
US8053723B2 (en) * 2009-04-30 2011-11-08 Thermo Finnigan Llc Intrascan data dependency
DE102009035587B3 (de) * 2009-07-31 2011-03-24 Siemens Aktiengesellschaft Verfahren zur Filterung eines Chromatogramms
US9348787B2 (en) * 2010-07-06 2016-05-24 Shimadzu Corporation Method and system for processing analysis data
EP2447980B1 (en) * 2010-11-02 2019-05-22 Thermo Fisher Scientific (Bremen) GmbH Method of generating a mass spectrum having improved resolving power
GB201100301D0 (en) * 2011-01-10 2011-02-23 Micromass Ltd Method of processing multidmensional mass spectrometry data
EP2745227A4 (en) 2011-08-17 2015-07-01 Smiths Detection Inc SHIFT CORRECTION FOR SPECTRAL ANALYSIS
WO2013144790A1 (en) * 2012-03-29 2013-10-03 Koninklijke Philips N.V. Method and system for filtering gas chromatography-mass spectrometry data
GB201205805D0 (en) 2012-03-30 2012-05-16 Micromass Ltd Mass spectrometer
US20130311136A1 (en) * 2012-05-18 2013-11-21 Mustard Tree Instruments, Llc Rule-Based Sample Verification and Chemical Monitoring Methodology
US10840073B2 (en) * 2012-05-18 2020-11-17 Thermo Fisher Scientific (Bremen) Gmbh Methods and apparatus for obtaining enhanced mass spectrometric data
GB201304491D0 (en) 2013-03-13 2013-04-24 Shimadzu Corp A method of processing image charge/current signals
CA2976165A1 (en) * 2015-02-05 2016-08-11 Dh Technologies Development Pte. Ltd. Detecting mass spectrometry based similarity via curve subtraction
CN107250788B (zh) * 2015-02-16 2019-06-07 株式会社岛津制作所 噪声水平估计方法和测定数据处理装置
LT3283136T (lt) 2015-04-16 2021-06-25 Hollister Incorporated Hidrofilinės dangos ir jų sudarymo būdai
GB201518391D0 (en) * 2015-10-16 2015-12-02 Micromass Ltd Processing mass spectral data
US10297433B2 (en) * 2016-07-05 2019-05-21 Bruker Daltonik Gmbh Suppressing harmonic signals in ion cyclotron resonance mass spectrometry
EP3410109A1 (en) 2017-06-02 2018-12-05 Thermo Fisher Scientific (Bremen) GmbH Systems and methods for extracting mass traces
US10957523B2 (en) * 2018-06-08 2021-03-23 Thermo Finnigan Llc 3D mass spectrometry predictive classification
EP3660504B1 (en) 2018-11-30 2025-01-01 Thermo Fisher Scientific (Bremen) GmbH Systems and methods for determining mass of an ion species
EP4012747A1 (en) * 2020-12-10 2022-06-15 Thermo Fisher Scientific (Bremen) GmbH Methods and systems for processing mass spectra

Family Cites Families (16)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JPS6165171A (ja) * 1984-09-06 1986-04-03 Jeol Ltd フ−リエ変換装置
US4761545A (en) * 1986-05-23 1988-08-02 The Ohio State University Research Foundation Tailored excitation for trapped ion mass spectrometry
US4755670A (en) 1986-10-01 1988-07-05 Finnigan Corporation Fourtier transform quadrupole mass spectrometer and method
JPH04244773A (ja) * 1991-01-29 1992-09-01 Asmo Co Ltd 偏平ヨーク型直流機
US5175430A (en) * 1991-05-17 1992-12-29 Meridian Instruments, Inc. Time-compressed chromatography in mass spectrometry
US5418826A (en) * 1992-10-11 1995-05-23 Horiba, Ltd. Fluorescent X-ray qualitative analytical method
GB9506695D0 (en) 1995-03-31 1995-05-24 Hd Technologies Limited Improvements in or relating to a mass spectrometer
US5995989A (en) * 1998-04-24 1999-11-30 Eg&G Instruments, Inc. Method and apparatus for compression and filtering of data associated with spectrometry
US6403955B1 (en) * 2000-04-26 2002-06-11 Thermo Finnigan Llc Linear quadrupole mass spectrometer
WO2002047460A2 (en) * 2000-12-15 2002-06-20 Exxonmobil Research And Engineering Company Mass spectrometric multivariate analysis of asphalts
US6608302B2 (en) * 2001-05-30 2003-08-19 Richard D. Smith Method for calibrating a Fourier transform ion cyclotron resonance mass spectrometer
US20030078739A1 (en) * 2001-10-05 2003-04-24 Surromed, Inc. Feature list extraction from data sets such as spectra
US7457708B2 (en) * 2003-03-13 2008-11-25 Agilent Technologies Inc Methods and devices for identifying related ions from chromatographic mass spectral datasets containing overlapping components
US6906320B2 (en) * 2003-04-02 2005-06-14 Merck & Co., Inc. Mass spectrometry data analysis techniques
EP1623351B1 (en) * 2003-04-28 2012-04-18 Cerno Bioscience LLC Computational method and system for mass spectral analysis
GB2410123B (en) * 2003-09-25 2006-11-01 Thermo Finnigan Llc Method of processing and storing mass spectrometry data

Also Published As

Publication number Publication date
GB2472951A (en) 2011-02-23
WO2006058198A3 (en) 2006-11-23
JP5153338B2 (ja) 2013-02-27
GB2422049A (en) 2006-07-12
GB2422049B (en) 2011-04-13
EP1817718A2 (en) 2007-08-15
US7987060B2 (en) 2011-07-26
CA2583734A1 (en) 2006-06-01
JP2012088332A (ja) 2012-05-10
JP5562933B2 (ja) 2014-07-30
GB201020824D0 (en) 2011-01-19
JP2008522161A (ja) 2008-06-26
GB0426174D0 (en) 2004-12-29
GB2472951B (en) 2011-04-27
WO2006058198A2 (en) 2006-06-01
CN101088096B (zh) 2011-02-16
EP1950690A1 (en) 2008-07-30
US20080270083A1 (en) 2008-10-30
CN101088096A (zh) 2007-12-12
EP1817718B1 (en) 2012-06-06
EP1950690B1 (en) 2012-06-06

Similar Documents

Publication Publication Date Title
CA2583734C (en) Method of processing mass spectrometry data
US7962301B2 (en) Method of processing and storing mass spectrometry data
US5072115A (en) Interpretation of mass spectra of multiply charged ions of mixtures
US8481924B2 (en) MS/MS data processing
US6627875B2 (en) Tailored waveform/charge reduction mass spectrometry
US11031218B2 (en) Data acquisition method in a mass spectrometer
US7511267B2 (en) Data-dependent accurate mass neutral loss analysis
WO2004111609A2 (en) Methods for accurate component intensity extraction from separations-mass spectrometry data
CN112534267A (zh) 复杂样本中相关化合物的识别和评分
EP3204740B1 (en) Improving information dependent analysis (ida) spectral output for database searches
JP2000162186A (ja) 質量分析装置におけるデータ処理方法、質量分析装置用記録媒体および質量分析装置
AU2002307457A1 (en) Tailored waveform/charge reduction mass spectrometry

Legal Events

Date Code Title Description
EEER Examination request
MKLA Lapsed

Effective date: 20210831

MKLA Lapsed

Effective date: 20191125