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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ETH Zurich
DH Technologies Development Pte Ltd
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ETH Zurich
DH Technologies Development Pte Ltd
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    • 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
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/62—Detectors specially adapted therefor
    • G01N30/72—Mass spectrometers
    • G01N30/7233—Mass spectrometers interfaced to liquid or supercritical fluid chromatograph
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing
    • 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
    • H01J49/0031—Step by step routines describing the use of the apparatus
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/004—Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/004—Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn
    • H01J49/0045—Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn characterised by the fragmentation or other specific reaction
    • 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
    • H01J49/42—Stability-of-path spectrometers, e.g. monopole, quadrupole, multipole, farvitrons
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B40/00—ICT specially adapted for biostatistics; ICT specially adapted for bioinformatics-related machine learning or data mining, e.g. knowledge discovery or pattern finding
    • G16B40/10—Signal processing, e.g. from mass spectrometry [MS] or from PCR
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions

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  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Engineering & Computer Science (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (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
EP10009595.9 2010-09-15
EP10009595 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 (cg-RX-API-DMAC10.html)
EP (1) EP2617052B1 (cg-RX-API-DMAC10.html)
JP (6) JP5875587B2 (cg-RX-API-DMAC10.html)
CN (2) CN103109345B (cg-RX-API-DMAC10.html)
CA (1) CA2810473C (cg-RX-API-DMAC10.html)
WO (1) WO2012035412A2 (cg-RX-API-DMAC10.html)

Families Citing this family (108)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP3533908B1 (en) 2010-07-02 2026-07-01 The Procter & Gamble Company NONWOVEN FABRIC COMPRISING ONE OR MORE ACTIVE AGENTS
JP5859526B2 (ja) 2010-07-02 2016-02-10 ザ プロクター アンド ギャンブルカンパニー 活性剤不織布ウェブを含むフィラメント及びその製造方法
MX382405B (es) 2010-07-02 2025-03-13 Procter & Gamble Método para suministrar un agente activo.
WO2012035412A2 (en) * 2010-09-15 2012-03-22 Dh Technologies Development Pte. Ltd. Data independent acquisition of production spectra and reference spectra library matching
CN106252192B (zh) 2010-11-08 2018-04-03 Dh科技发展私人贸易有限公司 用于通过质谱分析快速筛选样本的系统及方法
EP2715770B1 (en) * 2011-06-03 2021-11-24 DH Technologies Development Pte. Ltd. Use of variable xic widths of tof-msms data for the determination of background interference in srm assays
US9435778B2 (en) 2011-09-28 2016-09-06 BiognoSYS AG Methods and systems for experimental set-up and data analysis in targeted proteomics applications
US9048072B2 (en) * 2012-03-12 2015-06-02 Micromass Uk Limited Method of mass spectrometry and a mass spectrometer
CN104160473B (zh) * 2012-04-02 2017-03-15 Dh科技发展私人贸易有限公司 使用离子阱跨越质量范围进行连续窗口化获取的系统及方法
WO2013171554A1 (en) 2012-05-18 2013-11-21 Dh Technologies Development Pte. Ltd. Systems and methods for using interleaving window widths in tandem mass spectrometry
US9779923B2 (en) 2013-03-14 2017-10-03 Leco Corporation Method and system for tandem mass spectrometry
EP3004871B1 (en) * 2013-06-05 2019-05-15 DH Technologies Development PTE. Ltd. Swathtm data-independent acquisition technology for the detection of host cell protein contaminants in biotherapeutics protein products
CN105190828B (zh) * 2013-06-06 2017-06-30 Dh科技发展私人贸易有限公司 在重叠采集窗的多路分用之后改进数据质量
US10930481B2 (en) * 2013-08-13 2021-02-23 Purdue Research Foundation Sample quantitation with a miniature mass spectrometer
CA2925853A1 (en) * 2013-10-16 2015-04-23 Dh Technologies Development Pte. Ltd. Systems and methods for identifying precursor ions from product ions using arbitrary transmission windowing
JP6581976B2 (ja) * 2013-10-16 2019-09-25 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 恣意的四重極伝送窓生成のためのシステムおよび方法
US9583321B2 (en) * 2013-12-23 2017-02-28 Thermo Finnigan Llc Method for mass spectrometer with enhanced sensitivity to product ions
CN105917220B (zh) * 2014-01-16 2019-05-28 株式会社岛津制作所 质谱分析装置
JP6585087B2 (ja) * 2014-06-02 2019-10-02 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 質量スペクトルライブラリを正確な質量スペクトルライブラリに転換する方法
WO2016002047A1 (ja) * 2014-07-03 2016-01-07 株式会社島津製作所 質量分析データ処理装置
WO2016055888A1 (en) * 2014-10-08 2016-04-14 Dh Technologies Development Pte. Ltd. Improving ida spectral output for database searches
EP3218703B1 (en) * 2014-11-13 2019-06-26 DH Technologies Development PTE. Ltd. Determining the identity of modified compounds
JP6698668B2 (ja) * 2015-02-05 2020-05-27 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 断片化エネルギーを切り替えながらの幅広い四重極rf窓の高速スキャニング
WO2016145331A1 (en) * 2015-03-12 2016-09-15 Thermo Finnigan Llc Methods for data-dependent mass spectrometry of mixed biomolecular analytes
US10591448B2 (en) * 2015-04-14 2020-03-17 Waters Technologies Corporation Structural elucidation of isotopically labeled analytes
CN107533031B (zh) * 2015-05-13 2020-09-29 Dh科技发展私人贸易有限公司 自上而下蛋白质鉴定方法
US10573501B2 (en) * 2015-05-29 2020-02-25 Waters Technologies Corporation Techniques for processing of mass spectral data
US10115575B2 (en) 2015-06-18 2018-10-30 Dh Technologies Development Pte. Ltd. Probability-based library search algorithm (ProLS)
US11024492B2 (en) 2015-07-07 2021-06-01 Institute For Systems Biology Method to obtain unbiased identification of interaction of test compounds with the proteome
WO2017025892A1 (en) 2015-08-13 2017-02-16 Dh Technologies Development Pte. Ltd. Deconvolution of mixed spectra
EP3335236B1 (en) * 2015-08-13 2020-05-06 DH Technologies Development PTE. Ltd. Library search tolerant to isotopes
US11181511B2 (en) 2015-08-27 2021-11-23 Dh Technologies Development Pte. Ltd. Rapid scoring of LC-MS/MS peptide data
EP3345003A4 (en) * 2015-08-31 2019-05-15 DH Technologies Development Pte. Ltd. IDENTIFICATION OF PROTEINS IN THE ABSENCE OF PEPTIDE IDENTIFICATION
US10204770B2 (en) 2015-08-31 2019-02-12 Dh Technologies Development Pte. Ltd. Method to improve MS/MS spectral quality from MRM triggered IDA
GB2544959B (en) * 2015-09-17 2019-06-05 Thermo Fisher Scient Bremen Gmbh Mass spectrometer
US10890562B2 (en) * 2015-10-07 2021-01-12 Shimadzu Corporation Tandem mass spectrometer
EP3193352A1 (en) 2016-01-14 2017-07-19 Thermo Finnigan LLC Methods for mass spectrometric based characterization of biological molecules
US10340130B2 (en) 2016-04-05 2019-07-02 Thermo Finnigan Llc Data independent acquisition with variable multiplexing degree
WO2018007921A1 (en) 2016-07-06 2018-01-11 Dh Technologies Development Pte. Ltd. Results dependent analysis - iterative analysis of swath data
US11378561B2 (en) * 2016-08-10 2022-07-05 Dh Technologies Development Pte. Ltd. Automated spectral library retention time correction
CN108061776B (zh) * 2016-11-08 2020-08-28 中国科学院大连化学物理研究所 一种用于液相色谱-质谱的代谢组学数据峰匹配方法
US9911585B1 (en) 2016-12-21 2018-03-06 Thermo Finnigan Llc Data-independent mass spectral data acquisition including data-dependent precursor-ion surveys
CN110167639B (zh) 2017-01-27 2022-10-14 宝洁公司 呈包含泡腾型附聚颗粒的可溶性固体结构形式的组合物
CN110191700A (zh) 2017-01-27 2019-08-30 宝洁公司 可溶性固体结构形式的组合物
GB2559395B (en) * 2017-02-03 2020-07-01 Thermo Fisher Scient Bremen Gmbh High resolution MS1 based quantification
US10741372B2 (en) 2017-03-06 2020-08-11 Shimadzu Corporation Tandem mass spectrometer and program for the same
US9897581B1 (en) 2017-04-26 2018-02-20 Thermo Finnigan Llc Variable data-dependent acquisition and dynamic exclusion method for mass spectrometry
JP6923673B2 (ja) 2017-05-16 2021-08-25 ザ プロクター アンド ギャンブル カンパニーThe Procter & Gamble Company 溶解性固形構造体の形態のコンディショニングヘアケア組成物
JP2018205013A (ja) * 2017-05-31 2018-12-27 三栄源エフ・エフ・アイ株式会社 アントシアニン色素の定量方法
EP3958290B1 (en) 2017-06-02 2024-09-25 Thermo Fisher Scientific (Bremen) GmbH Hybrid mass spectrometer
CN111164422B (zh) * 2017-08-07 2023-05-02 新加坡科技研究局 从液相色谱-质谱(lc-ms)数据中快速分析和鉴定脂质
WO2019043650A1 (en) 2017-08-31 2019-03-07 Dh Technologies Development Pte. Ltd. CALCULATION OF DYNAMIC BALANCING TIME TO IMPROVE DYNAMIC MS / MS RANGE
JP2020535599A (ja) * 2017-09-29 2020-12-03 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 同位体選択的ms/msを用いたmrmピーク純度の査定
CN109830426B (zh) 2017-11-23 2021-04-02 株式会社岛津制作所 质谱数据采集方法
CN109828068B (zh) * 2017-11-23 2021-12-28 株式会社岛津制作所 质谱数据采集及分析方法
WO2019142068A1 (en) * 2018-01-17 2019-07-25 Dh Technologies Development Pte. Ltd. Dm-swath acquisition to improve msms confidence
WO2019161382A1 (en) * 2018-02-19 2019-08-22 Cerno Bioscience Llc Reliable and automatic mass spectral analysis
GB201810273D0 (en) * 2018-06-22 2018-08-08 Thermo Fisher Scient Bremen Gmbh Structural analysis of ionised molecules
US11666514B2 (en) 2018-09-21 2023-06-06 The Procter & Gamble Company Fibrous structures containing polymer matrix particles with perfume ingredients
WO2020110584A1 (ja) * 2018-11-28 2020-06-04 株式会社島津製作所 アゾ化合物の分析方法
US12174162B2 (en) * 2018-11-29 2024-12-24 Shimadzu Corporation Hazardous substance analyzing system
EP3660504B1 (en) * 2018-11-30 2025-01-01 Thermo Fisher Scientific (Bremen) GmbH Systems and methods for determining mass of an ion species
CN113574629B (zh) * 2019-03-22 2024-09-24 Dh科技发展私人贸易有限公司 不可知化合物洗脱测定
JP2022534468A (ja) 2019-05-31 2022-08-01 ディーエイチ テクノロジーズ デベロップメント プライベート リミテッド 走査型swathデータのリアルタイムエンコーディングおよび前駆体推測のための確率的フレームワークのための方法
JP7381613B2 (ja) 2019-06-28 2023-11-15 ザ プロクター アンド ギャンブル カンパニー アニオン性界面活性剤を含有する溶解性固体繊維性物品
GB2590601B (en) * 2019-11-13 2024-01-31 Thermo Fisher Scient Bremen Gmbh Method of mass spectrometry
US20230005727A1 (en) 2019-11-14 2023-01-05 Dh Technologies Development Pte. Ltd. Method of Mass Analysis - SWATH with Orthogonal Fragmentation Methodology
US11138787B2 (en) 2019-11-25 2021-10-05 Rockwell Collins, Inc. Efficient transfer of dynamic 3D world model data
JP7430265B2 (ja) * 2019-12-17 2024-02-09 エフ. ホフマン-ラ ロシュ アーゲー 多重遷移監視のための方法および装置
CN113552204B (zh) 2020-04-02 2024-06-21 株式会社岛津制作所 质谱分析方法和质谱系统
CN115605749B (zh) 2020-05-25 2024-11-05 株式会社岛津制作所 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
CN115516301A (zh) * 2020-05-28 2022-12-23 株式会社岛津制作所 色谱质量分析数据处理方法、色谱质量分析装置以及色谱质量分析数据处理用程序
WO2022027067A1 (en) 2020-07-31 2022-02-03 The Procter & Gamble Company Water-soluble fibrous pouch containing prills for hair care
JP7400698B2 (ja) * 2020-11-16 2023-12-19 株式会社島津製作所 クロマトグラフ質量分析装置
US11721538B2 (en) 2020-11-17 2023-08-08 Thermo Finnigan Llc Feeding real time search results of chimeric MS2 spectra into the dynamic exclusion list
EP4248482A2 (en) * 2020-11-19 2023-09-27 DH Technologies Development Pte. Ltd. Method of performing ms/ms of high intensity ion beams using a bandpass filtering collision cell to enhance mass spectrometry robustness
EP4047371A1 (en) * 2021-02-18 2022-08-24 Thermo Fisher Scientific (Bremen) GmbH Method and apparatus for analysing samples of biomolecules using mass spectrometry with data-independent acquisition
WO2022184832A2 (en) 2021-03-03 2022-09-09 Immatics Biotechnologies Gmbh Method for the absolute quantification of mhc molecules
EP4315390A1 (en) 2021-03-30 2024-02-07 DH Technologies Development Pte. Ltd. Method for linear quantitative dynamic range extension
CN117581330A (zh) 2021-06-09 2024-02-20 Dh科技发展私人贸易有限公司 扫描swath中增强的q1质量分离
US20250125133A1 (en) 2021-07-23 2025-04-17 Dh Technologies Development Pte. Ltd. Preventing Errors in Processing and Interpreting Mass Spectrometry Results
CN117795643A (zh) 2021-08-05 2024-03-29 Dh科技发展私人贸易有限公司 Tof-ms中的空间电荷减少
CN118043938A (zh) 2021-08-26 2024-05-14 Dh科技发展私人贸易有限公司 用于增强dda质谱法中的信息的方法
EP4395730A1 (en) 2021-08-30 2024-07-10 The Procter & Gamble Company Dissolvable solid structure comprising first and second polymeric structurants
US20240355605A1 (en) 2021-09-03 2024-10-24 Dh Technologies Development Pte. Ltd. Prediction of precursor charge state in dm-swath analysis
US20250006307A1 (en) 2021-09-08 2025-01-02 Dh Technologies Development Pte. Ltd. Identification of Changing Pathways or Disease Indicators Through Cluster Analysis
CN118525336A (zh) 2021-10-05 2024-08-20 Dh科技发展私人贸易有限公司 用于增强对dia数据的完整数据提取的方法
US20250014880A1 (en) 2021-11-19 2025-01-09 Dh Technologies Development Pte. Ltd. Method for Noise Reduction and Ion Rate Estimation Using an Analog Detection System
US12009194B2 (en) * 2021-12-14 2024-06-11 Thermo Finnigan Llc Mass spectrometry data-independent analysis methods with improved efficiency
US12576013B2 (en) 2021-12-17 2026-03-17 The Procter & Gamble Company Dissolvable solid fibrous shampoo articles containing salts
EP4473537A1 (en) 2022-02-04 2024-12-11 DH Technologies Development Pte. Ltd. Compound identification using a mass spectrum
US12540238B2 (en) 2022-03-10 2026-02-03 The Procter & Gamble Company Dissolvable solid structure having first and second layers
US20250259713A1 (en) 2022-04-12 2025-08-14 Dh Technologies Development Pte. Ltd. Library Search Using Deep Learning Based Spectral Compression
US20250259707A1 (en) 2022-04-12 2025-08-14 Dh Technologies Development Pte. Ltd. Optimization of Processing Parameters for Top/Middle Down MS/MS
WO2023199137A1 (en) 2022-04-12 2023-10-19 Dh Technologies Development Pte. Ltd. Single panel representation of multiple charge evidence linked to a bond in the protein
WO2023199138A1 (en) 2022-04-12 2023-10-19 Dh Technologies Development Pte. Ltd. Scoring of whole protein msms spectra based on a bond relevance score
WO2023203620A1 (ja) 2022-04-18 2023-10-26 株式会社島津製作所 質量分析装置
GB2621394B (en) 2022-08-12 2024-12-04 Thermo Fisher Scient Bremen Gmbh Methods and Mass Spectrometry Systems for Acquiring Mass Spectral Data
GB2621395B (en) 2022-08-12 2025-02-05 Thermo Fisher Scient Bremen Gmbh Methods and mass spectrometry systems for acquiring mass spectral data
GB2621393B (en) 2022-08-12 2024-12-25 Thermo Fisher Scient Bremen Gmbh Methods and mass spectrometry systems for acquiring mass spectral data
US20260079140A1 (en) 2022-10-06 2026-03-19 Dh Technologies Development Pte. Ltd. Reducing Data Complexity for Subsequent RT Alignment
WO2024075065A1 (en) 2022-10-06 2024-04-11 Dh Technologies Development Pte. Ltd. Creation of realistic ms/ms spectra for putative designer drugs
US20260078445A1 (en) 2022-12-07 2026-03-19 Dh Technologies Development Pte. Ltd. De Novo Sequencing of DNA
EP4649518A1 (en) 2023-01-09 2025-11-19 DH Technologies Development Pte. Ltd. Sequencing of morpholino oligomers using electron capture dissociation
FR3149423B1 (fr) 2023-06-05 2025-05-30 Synchrotron Soleil Procédé de reconstruction d’un spectre de masse
GB2631473B (en) * 2023-06-30 2026-01-28 Thermo Fisher Scient Bremen Gmbh Quantifying a substance present in a sample
GB2700079B (en) * 2023-07-21 2026-03-25 Thermo Fisher Scient Bremen Gmbh Compound assembly
WO2026159683A1 (en) * 2025-01-24 2026-07-30 Dh Technologies Development Pte. Ltd. Quantification of chemical species using data independent acquisition

Family Cites Families (69)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US3699333A (en) * 1968-10-23 1972-10-17 Franklin Gno Corp Apparatus and methods for separating, concentrating, detecting, and measuring trace gases
US3626178A (en) * 1970-02-20 1971-12-07 Franklin Gno Corp Gas or liquid chromatograph with detector employing ion-molecule reactions and ion drift
US3812355A (en) * 1971-12-09 1974-05-21 Gno F Corp Apparatus and methods for measuring ion mass as a function of mobility
US4023398A (en) * 1975-03-03 1977-05-17 John Barry French Apparatus for analyzing trace components
DE3578980D1 (de) 1984-11-07 1990-09-06 Gen Electric Silanderivate zur verbesserung der eigenschaften von polyphenylenoxid-polyamidzusammensetzungen.
US4818862A (en) * 1987-10-21 1989-04-04 Iowa State University Research Foundation, Inc. Characterization of compounds by time-of-flight measurement utilizing random fast ions
US5179278A (en) * 1991-08-23 1993-01-12 Mds Health Group Limited Multipole inlet system for ion traps
US5455417A (en) * 1994-05-05 1995-10-03 Sacristan; Emilio Ion mobility method and device for gas analysis
US6573492B2 (en) * 1999-12-27 2003-06-03 Hitachi, Ltd. Mass spectrometric analysis method and apparatus using the method
US6586727B2 (en) * 2000-06-09 2003-07-01 Micromass Limited Methods and apparatus for mass spectrometry
CA2340150C (en) * 2000-06-09 2005-11-22 Micromass Limited Methods and apparatus for mass spectrometry
IL154932A0 (en) * 2000-10-11 2003-10-31 Ciphergen Biosystems Inc Apparatus and methods for affinity capture tandem mass spectrometry
US6524803B2 (en) * 2000-12-19 2003-02-25 Agilent Technologies, Inc. Deconvolution method and apparatus for analyzing compounds
US20020127609A1 (en) * 2001-02-23 2002-09-12 Maxygen, Inc. Screening for enzyme stereoselectivity utilizing mass spectrometry
DE10145904A1 (de) * 2001-09-18 2003-04-10 Bruker Daltonik Gmbh Verfahren zur Aufklärung des Metabolismus
JP3990889B2 (ja) * 2001-10-10 2007-10-17 株式会社日立ハイテクノロジーズ 質量分析装置およびこれを用いる計測システム
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
WO2003098190A2 (en) * 2002-05-20 2003-11-27 Purdue Research Foundation Protein identification from protein product ion spectra
US20040014143A1 (en) * 2002-05-29 2004-01-22 Haskins William E. Method and apparatus for detecting and monitoring peptides, and peptides identified therewith
NZ520019A (en) * 2002-07-05 2005-02-25 Syft Technologies Ltd A method of assaying the antioxidant activity of pure compounds, extracts and biological fluids using SIFT-MS technology
GB2390935A (en) * 2002-07-16 2004-01-21 Anatoli Nicolai Verentchikov Time-nested mass analysis using a TOF-TOF tandem mass spectrometer
GB0305796D0 (en) * 2002-07-24 2003-04-16 Micromass Ltd Method of mass spectrometry and a mass spectrometer
JP4160558B2 (ja) * 2002-08-22 2008-10-01 アプレラ コーポレイション 結果主導型ストラテジーを利用して生体分子を特徴付けるための方法
JP3534191B1 (ja) * 2002-12-26 2004-06-07 日本電気株式会社 質量分析法を利用するペプチドc末端アミノ酸配列解析方法
EP1586104A2 (en) * 2003-01-24 2005-10-19 Thermo Finnigan LLC Controlling ion populations in a mass analyzer
GB2418775B (en) * 2003-03-19 2008-10-15 Thermo Finnigan Llc Obtaining tandem mass spectrometry data for multiple parent ions in an ion population
US7459693B2 (en) * 2003-04-04 2008-12-02 Bruker Daltonics, Inc. Ion guide for mass spectrometers
US9357755B2 (en) * 2003-10-28 2016-06-07 The University Of Wyoming Production of human glycosylated proteins in silk worm
US7365309B2 (en) * 2003-12-22 2008-04-29 Micromass Uk Limited Mass spectrometer
US20080206737A1 (en) * 2004-05-19 2008-08-28 Hunter Christie L Expression quantification using mass spectrometry
US20070054345A1 (en) * 2004-05-19 2007-03-08 Hunter Christie L Expression quantification using mass spectrometry
NZ534909A (en) * 2004-08-26 2005-10-28 Syft Technologies Ltd A method of assaying the antioxidant activity of oils and lipids using SIFT-MS technology
JP4643206B2 (ja) * 2004-09-03 2011-03-02 株式会社日立ハイテクノロジーズ 質量分析装置
CN100390537C (zh) * 2004-11-12 2008-05-28 中国科学院计算技术研究所 用串联质谱中碎片离子的同位素峰预测离子分子式的方法
JP2006322899A (ja) * 2005-05-20 2006-11-30 Hitachi Ltd ガスモニタリング装置
DE102005025499B4 (de) * 2005-06-03 2007-09-27 Bruker Daltonik Gmbh Massenspektrometrische Gemischanalyse
WO2007022248A2 (en) * 2005-08-16 2007-02-22 Sloan Kettering Institute For Cancer Research Methods of detection of cancer using peptide profiles
GB2432712B (en) * 2005-11-23 2007-12-27 Micromass Ltd Mass spectrometer
JP4782579B2 (ja) * 2006-02-15 2011-09-28 株式会社日立ハイテクノロジーズ タンデム型質量分析システム及び方法
US20080173807A1 (en) * 2006-04-11 2008-07-24 Oh-Kyu Yoon Fragmentation modulation mass spectrometry
EP2013224A2 (en) * 2006-04-27 2009-01-14 Syddansk Universitet Methods for isolation and analysis of sialylated and phosphorylated peptides
GB0609253D0 (en) * 2006-05-10 2006-06-21 Micromass Ltd Mass spectrometer
JP4577266B2 (ja) * 2006-05-16 2010-11-10 株式会社島津製作所 クロマトグラフ質量分析装置
US7956320B2 (en) * 2006-05-18 2011-06-07 Shimadzu Corporation Data processor for mass spectrometer
EP2021789A4 (en) * 2006-05-26 2010-10-20 Waters Technologies Corp DEVICE AND METHOD FOR IMPROVING MASS SPECTROSCOPY
JP5039330B2 (ja) * 2006-06-30 2012-10-03 株式会社日立ハイテクノロジーズ 質量分析システム
WO2008008919A2 (en) * 2006-07-12 2008-01-17 Applera Corporation Methods and systems for sequence-based design of multiple reaction monitoring transitions and experiments
US7638762B2 (en) * 2006-09-29 2009-12-29 Agilent Technologies, Inc. Systems and methods for decreasing settling times in MS/MS
GB0622689D0 (en) * 2006-11-14 2006-12-27 Thermo Electron Bremen Gmbh Method of operating a multi-reflection ion trap
GB0704764D0 (en) 2007-03-12 2007-04-18 Electrophoretics Ltd Isobarically labelled reagents and methods of their use
WO2008142579A2 (en) * 2007-05-23 2008-11-27 Williamson Nicholas A Method of mass analysis of target molecules in complex mixtures
JP4905265B2 (ja) * 2007-06-18 2012-03-28 株式会社島津製作所 クロマトグラフ質量分析装置用データ処理装置
ES2374762T3 (es) * 2007-10-10 2012-02-21 Bg Medicine, Inc. Procedimientos para detectar complicaciones cardiovasculares y cerebrovasculares adversas graves.
US8030612B2 (en) * 2007-11-09 2011-10-04 Dh Technologies Development Pte. Ltd. High resolution excitation/isolation of ions in a low pressure linear ion trap
WO2009070871A1 (en) * 2007-12-04 2009-06-11 Mds Analytical Technologies, A Business Unit Of Mds Inc. Doing Business Through Its Sciex Division Systems and methods for analyzing substances using a mass spectrometer
US7897405B2 (en) * 2008-02-11 2011-03-01 Thermo Finnigan Llc Method for identifying the elution time of an analyte
CN102067273B (zh) * 2008-03-05 2013-12-11 株式会社岛津制作所 质量分析装置
WO2009114932A1 (en) * 2008-03-20 2009-09-24 Mds Analytical Technologies, A Business Unit Of Mds Inc., Systems and methods for analyzing substances using a mass spectrometer
US8841423B2 (en) * 2008-04-28 2014-09-23 University Of Iowa Research Foundation Monoclonal antibodies specific for oxidized calcium/calmodulin dependent protein kinase II
GB0811298D0 (en) * 2008-06-19 2008-07-30 Trillion Genomics Ltd Characterising polypeptides
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
JP4941437B2 (ja) * 2008-09-12 2012-05-30 株式会社島津製作所 四重極型質量分析装置
WO2010080986A1 (en) * 2009-01-09 2010-07-15 Mds Analytical Technologies Mass spectrometer
GB0900973D0 (en) * 2009-01-21 2009-03-04 Micromass Ltd Method and apparatus for performing MS^N
WO2010089798A1 (ja) * 2009-02-05 2010-08-12 株式会社島津製作所 Ms/ms型質量分析装置
US8395113B2 (en) * 2009-05-08 2013-03-12 Thermo Finnigan Llc Methods and systems for matching product ions to precursor in tandem mass spectrometry
US20100301205A1 (en) * 2009-05-27 2010-12-02 Bruce Thomson Linear ion trap for msms
EP2614517B1 (en) 2010-09-08 2020-08-05 DH Technologies Development Pte. Ltd. Systems and methods for using variable mass selection window widths in tandem mass spectrometry
WO2012035412A2 (en) * 2010-09-15 2012-03-22 Dh Technologies Development Pte. Ltd. Data independent acquisition of production spectra and reference spectra library matching

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