CA2810473C - Data independent acquisition of product ion spectra and reference spectra library matching - Google Patents

Data independent acquisition of product ion spectra and reference spectra library matching Download PDF

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Publication number
CA2810473C
CA2810473C CA2810473A CA2810473A CA2810473C CA 2810473 C CA2810473 C CA 2810473C CA 2810473 A CA2810473 A CA 2810473A CA 2810473 A CA2810473 A CA 2810473A CA 2810473 C CA2810473 C CA 2810473C
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Prior art keywords
product ion
sample
compounds
ion spectra
spectra
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CA2810473A
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English (en)
French (fr)
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CA2810473A1 (en
Inventor
Ronald Bonner
Stephen A. Tate
Rudolf Aebersold
Pedro Jose Navarro Alvarez
Oliver Rinner
Lukas Reiter
Ludovic Gillet
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Eidgenoessische Technische Hochschule Zurich ETHZ
DH Technologies Development Pte Ltd
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Eidgenoessische Technische Hochschule Zurich ETHZ
DH Technologies Development Pte Ltd
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    • 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
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02Column chromatography
    • G01N30/62Detectors specially adapted therefor
    • G01N30/72Mass spectrometers
    • G01N30/7233Mass spectrometers interfaced to liquid or supercritical fluid chromatograph
    • 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
    • G16C20/90Programming languages; Computing architectures; Database systems; Data warehousing
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/0027Methods for using particle spectrometers
    • H01J49/0031Step by step routines describing the use of the apparatus
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/004Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/004Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn
    • H01J49/0045Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn characterised by the fragmentation or other specific reaction
    • HELECTRICITY
    • H01ELECTRIC ELEMENTS
    • H01JELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00Particle spectrometers or separator tubes
    • H01J49/26Mass spectrometers or separator tubes
    • H01J49/34Dynamic spectrometers
    • H01J49/42Stability-of-path spectrometers, e.g. monopole, quadrupole, multipole, farvitrons
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B40/00ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G16B40/10Signal processing, e.g. from mass spectrometry [MS] or from PCR
    • 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

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  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Databases & Information Systems (AREA)
  • Software Systems (AREA)
  • Physics & Mathematics (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Health & Medical Sciences (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • General Physics & Mathematics (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Electron Tubes For Measurement (AREA)
CA2810473A 2010-09-15 2011-09-14 Data independent acquisition of product ion spectra and reference spectra library matching Active CA2810473C (en)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US38313710P 2010-09-15 2010-09-15
EP10009595 2010-09-15
EP10009595.9 2010-09-15
US61/383,137 2010-09-15
PCT/IB2011/002139 WO2012035412A2 (en) 2010-09-15 2011-09-14 Data independent acquisition of production spectra and reference spectra library matching

Publications (2)

Publication Number Publication Date
CA2810473A1 CA2810473A1 (en) 2012-03-22
CA2810473C true CA2810473C (en) 2018-06-26

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Family Applications (1)

Application Number Title Priority Date Filing Date
CA2810473A Active CA2810473C (en) 2010-09-15 2011-09-14 Data independent acquisition of product ion spectra and reference spectra library matching

Country Status (6)

Country Link
US (9) US8809770B2 (https=)
EP (1) EP2617052B1 (https=)
JP (6) JP5875587B2 (https=)
CN (2) CN106055895B (https=)
CA (1) CA2810473C (https=)
WO (1) WO2012035412A2 (https=)

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