CA2862255A1 - Use of windowed mass spectrometry data for retention time determination or confirmation - Google Patents
Use of windowed mass spectrometry data for retention time determination or confirmation Download PDFInfo
- Publication number
- CA2862255A1 CA2862255A1 CA2862255A CA2862255A CA2862255A1 CA 2862255 A1 CA2862255 A1 CA 2862255A1 CA 2862255 A CA2862255 A CA 2862255A CA 2862255 A CA2862255 A CA 2862255A CA 2862255 A1 CA2862255 A1 CA 2862255A1
- Authority
- CA
- Canada
- Prior art keywords
- mass
- spectra
- collection
- peak
- intervals
- 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.)
- Abandoned
Links
- 238000004949 mass spectrometry Methods 0.000 title claims abstract description 20
- 230000014759 maintenance of location Effects 0.000 title claims description 15
- 238000012790 confirmation Methods 0.000 title description 2
- 238000001228 spectrum Methods 0.000 claims abstract description 61
- 239000012634 fragment Substances 0.000 claims abstract description 49
- 238000001819 mass spectrum Methods 0.000 claims abstract description 25
- 150000001875 compounds Chemical class 0.000 claims description 59
- 150000002500 ions Chemical class 0.000 claims description 53
- 238000000926 separation method Methods 0.000 claims description 34
- 238000000034 method Methods 0.000 claims description 30
- 239000000203 mixture Substances 0.000 claims description 17
- 238000004458 analytical method Methods 0.000 claims description 10
- 229930002839 ionone Natural products 0.000 claims description 5
- 150000002499 ionone derivatives Chemical class 0.000 claims description 5
- 238000005259 measurement Methods 0.000 claims description 4
- 238000004590 computer program Methods 0.000 claims description 3
- 238000013467 fragmentation Methods 0.000 claims description 2
- 238000006062 fragmentation reaction Methods 0.000 claims description 2
- 230000000155 isotopic effect Effects 0.000 claims description 2
- 230000037230 mobility Effects 0.000 claims 2
- 108090000765 processed proteins & peptides Proteins 0.000 description 7
- 238000010586 diagram Methods 0.000 description 6
- 238000002552 multiple reaction monitoring Methods 0.000 description 6
- 230000007704 transition Effects 0.000 description 6
- 230000008569 process Effects 0.000 description 5
- 238000012545 processing Methods 0.000 description 4
- 238000004891 communication Methods 0.000 description 3
- 230000003287 optical effect Effects 0.000 description 3
- 230000005540 biological transmission Effects 0.000 description 2
- 238000005040 ion trap Methods 0.000 description 2
- 238000012986 modification Methods 0.000 description 2
- 230000004048 modification Effects 0.000 description 2
- 239000002904 solvent Substances 0.000 description 2
- 230000003595 spectral effect Effects 0.000 description 2
- 238000004611 spectroscopical analysis Methods 0.000 description 2
- 230000003068 static effect Effects 0.000 description 2
- RYGMFSIKBFXOCR-UHFFFAOYSA-N Copper Chemical compound [Cu] RYGMFSIKBFXOCR-UHFFFAOYSA-N 0.000 description 1
- 230000008901 benefit Effects 0.000 description 1
- 238000004364 calculation method Methods 0.000 description 1
- 238000004587 chromatography analysis Methods 0.000 description 1
- 238000010276 construction Methods 0.000 description 1
- 239000000835 fiber Substances 0.000 description 1
- 230000002452 interceptive effect Effects 0.000 description 1
- 239000004973 liquid crystal related substance Substances 0.000 description 1
- 230000007246 mechanism Effects 0.000 description 1
- 102000004196 processed proteins & peptides Human genes 0.000 description 1
- 230000004044 response Effects 0.000 description 1
- 150000003384 small molecules Chemical class 0.000 description 1
- 210000003813 thumb Anatomy 0.000 description 1
Classifications
-
- 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
- G01N30/86—Signal analysis
- G01N30/8624—Detection of slopes or peaks; baseline correction
- G01N30/8631—Peaks
- G01N30/8634—Peak quality criteria
-
- 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
-
- 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
-
- 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
- H01J49/0027—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
- H01J49/004—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
Landscapes
- Chemical & Material Sciences (AREA)
- Analytical Chemistry (AREA)
- Life Sciences & Earth Sciences (AREA)
- Physics & Mathematics (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Computational Biology (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Theoretical Computer Science (AREA)
- Computing Systems (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Crystallography & Structural Chemistry (AREA)
- Immunology (AREA)
- Pathology (AREA)
- Health & Medical Sciences (AREA)
- Biochemistry (AREA)
- General Physics & Mathematics (AREA)
- General Health & Medical Sciences (AREA)
- Chemical Kinetics & Catalysis (AREA)
- Quality & Reliability (AREA)
- Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
- Electron Tubes For Measurement (AREA)
Applications Claiming Priority (3)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| US201161581423P | 2011-12-29 | 2011-12-29 | |
| US61/581,423 | 2011-12-29 | ||
| PCT/IB2012/002723 WO2013098618A1 (en) | 2011-12-29 | 2012-12-15 | Use of windowed mass spectrometry data for retention time determination or confirmation |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| CA2862255A1 true CA2862255A1 (en) | 2013-07-04 |
Family
ID=48696427
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| CA2862255A Abandoned CA2862255A1 (en) | 2011-12-29 | 2012-12-15 | Use of windowed mass spectrometry data for retention time determination or confirmation |
Country Status (7)
| Country | Link |
|---|---|
| US (2) | US9343276B2 (enExample) |
| EP (1) | EP2798664B1 (enExample) |
| JP (2) | JP2015503746A (enExample) |
| KR (1) | KR102044211B1 (enExample) |
| CN (2) | CN107066789B (enExample) |
| CA (1) | CA2862255A1 (enExample) |
| WO (1) | WO2013098618A1 (enExample) |
Families Citing this family (27)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| US10141169B2 (en) | 2012-11-15 | 2018-11-27 | Dh Technologies Development Pte. Ltd. | Systems and methods for identifying compounds from MS/MS data without precursor ion information |
| JP6362611B2 (ja) * | 2012-11-15 | 2018-07-25 | 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 | 前駆体イオン情報を使用することなくｍｓ／ｍｓデータから化合物を同定するシステムおよび方法 |
| EP3157042B1 (en) * | 2013-10-16 | 2021-01-13 | DH Technologies Development Pte. Ltd. | Systems and methods for identifying precursor ions from product ions using arbitrary transmission windowing |
| WO2015056065A1 (en) * | 2013-10-16 | 2015-04-23 | Dh Technologies Development Pte. Ltd. | Systems and methods for arbitrary quadrupole transmission windowing |
| EP3198627B1 (en) * | 2014-09-26 | 2025-10-29 | Micromass UK Limited | Accurate mobility chromatograms |
| JP6571770B2 (ja) * | 2014-11-13 | 2019-09-04 | 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 | 修飾化合物の識別の決定 |
| CA2976165A1 (en) * | 2015-02-05 | 2016-08-11 | Dh Technologies Development Pte. Ltd. | Detecting mass spectrometry based similarity via curve subtraction |
| CA2975812A1 (en) * | 2015-02-05 | 2016-08-11 | Dh Technologies Development Pte. Ltd. | Interference detection and peak of interest deconvolution |
| US20180108521A1 (en) * | 2015-03-11 | 2018-04-19 | DH Technologies Development Pte Ltd. | Method of Increasing Quality of Tandem Mass Spectra |
| JP6831337B2 (ja) | 2015-05-29 | 2021-02-17 | ウオーターズ・テクノロジーズ・コーポレイシヨン | 質量スペクトルデータを処理する技術 |
| CN109643633B (zh) * | 2016-08-10 | 2021-09-14 | Dh科技发展私人贸易有限公司 | 自动化质谱库保留时间校正 |
| JP6695087B2 (ja) * | 2016-11-23 | 2020-05-20 | アトナープ株式会社 | 一組のガスに対応する一組の質量電荷比を求めるためのシステムおよび方法 |
| WO2018116039A1 (en) * | 2016-12-20 | 2018-06-28 | Dh Technologies Development Pte. Ltd. | Automated expected retention time and optimal expected retention time window detection |
| GB2559395B (en) | 2017-02-03 | 2020-07-01 | Thermo Fisher Scient Bremen Gmbh | High resolution MS1 based quantification |
| EP3958290B1 (en) | 2017-06-02 | 2024-09-25 | Thermo Fisher Scientific (Bremen) GmbH | Hybrid mass spectrometer |
| US12181452B2 (en) | 2017-09-18 | 2024-12-31 | Waters Technologies Corporation | Use of vapor deposition coated flow paths for improved chromatography of metal interacting analytes |
| US11709156B2 (en) | 2017-09-18 | 2023-07-25 | Waters Technologies Corporation | Use of vapor deposition coated flow paths for improved analytical analysis |
| US11709155B2 (en) | 2017-09-18 | 2023-07-25 | Waters Technologies Corporation | Use of vapor deposition coated flow paths for improved chromatography of metal interacting analytes |
| US12180581B2 (en) | 2017-09-18 | 2024-12-31 | Waters Technologies Corporation | Use of vapor deposition coated flow paths for improved chromatography of metal interacting analytes |
| WO2019142068A1 (en) * | 2018-01-17 | 2019-07-25 | Dh Technologies Development Pte. Ltd. | Dm-swath acquisition to improve msms confidence |
| WO2020044161A1 (en) * | 2018-08-31 | 2020-03-05 | Dh Technologies Development Pte. Ltd. | Identification and scoring of related compounds in complex samples |
| WO2020194095A1 (en) * | 2019-03-22 | 2020-10-01 | Dh Technologies Development Pte. Ltd. | Agnostic compound elution determination |
| US12148604B2 (en) * | 2019-04-22 | 2024-11-19 | Amit, Inc. | Method for generating data set for training a prediction model and apparatus comprising the prediciton model |
| WO2020240506A1 (en) * | 2019-05-31 | 2020-12-03 | Dh Technologies Development Pte. Ltd. | Method for real time encoding of scanning swath data and probabilistic framework for precursor inference |
| EP3840014A1 (en) * | 2019-12-17 | 2021-06-23 | F. Hoffmann-La Roche AG | Automated method for maintaining a clinical diagnostics system |
| US11918936B2 (en) | 2020-01-17 | 2024-03-05 | Waters Technologies Corporation | Performance and dynamic range for oligonucleotide bioanalysis through reduction of non specific binding |
| CN116391122A (zh) | 2020-09-24 | 2023-07-04 | 沃特世科技公司 | 用于反应性分子分离的色谱硬件改进 |
Family Cites Families (16)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| DE4142869C1 (enExample) | 1991-12-23 | 1993-05-19 | Bruker - Franzen Analytik Gmbh, 2800 Bremen, De | |
| JPH05258713A (ja) | 1992-03-11 | 1993-10-08 | Hitachi Ltd | 質量分析計 |
| JPH0817391A (ja) | 1994-06-28 | 1996-01-19 | Hitachi Ltd | 質量スペクトル解析法 |
| US6987261B2 (en) * | 2003-01-24 | 2006-01-17 | Thermo Finnigan Llc | Controlling ion populations in a mass analyzer |
| US7473892B2 (en) * | 2003-08-13 | 2009-01-06 | Hitachi High-Technologies Corporation | Mass spectrometer system |
| WO2005079263A2 (en) * | 2004-02-13 | 2005-09-01 | Waters Investments Limited | Apparatus and method for identifying peaks in liquid chromatography/mass spectrometry data and for forming spectra and chromatograms |
| US7488935B2 (en) * | 2005-06-24 | 2009-02-10 | Agilent Technologies, Inc. | Apparatus and method for processing of mass spectrometry data |
| US7417223B2 (en) | 2005-10-28 | 2008-08-26 | Mds Inc. | Method, system and computer software product for specific identification of reaction pairs associated by specific neutral differences |
| US8271203B2 (en) * | 2006-07-12 | 2012-09-18 | Dh Technologies Development Pte. Ltd. | Methods and systems for sequence-based design of multiple reaction monitoring transitions and experiments |
| US8304719B2 (en) * | 2009-02-22 | 2012-11-06 | Xin Wang | Precise and thorough background subtraction |
| GB2471155B (en) * | 2009-05-06 | 2016-04-20 | Agilent Technologies Inc | Data dependent acquisition system for mass spectrometery and methods of use |
| JP5454311B2 (ja) * | 2010-04-02 | 2014-03-26 | 株式会社島津製作所 | Ｍｓ／ｍｓ型質量分析装置 |
| JP5365579B2 (ja) * | 2010-05-18 | 2013-12-11 | 株式会社島津製作所 | クロマトグラフ質量分析用データ処理装置 |
| JP2011034981A (ja) * | 2010-11-05 | 2011-02-17 | Hitachi High-Technologies Corp | 質量分析装置およびこれを用いる計測システム |
| US8935101B2 (en) * | 2010-12-16 | 2015-01-13 | Thermo Finnigan Llc | Method and apparatus for correlating precursor and product ions in all-ions fragmentation experiments |
| CN102081703A (zh) * | 2011-01-12 | 2011-06-01 | 广西工学院 | 多变量体系中的纯信号分析方法 |
-
2012
- 2012-12-15 WO PCT/IB2012/002723 patent/WO2013098618A1/en not_active Ceased
- 2012-12-15 JP JP2014549552A patent/JP2015503746A/ja active Pending
- 2012-12-15 CN CN201611153278.8A patent/CN107066789B/zh active Active
- 2012-12-15 KR KR1020147020189A patent/KR102044211B1/ko active Active
- 2012-12-15 US US14/368,874 patent/US9343276B2/en active Active
- 2012-12-15 CN CN201280064280.1A patent/CN104025249B/zh active Active
- 2012-12-15 CA CA2862255A patent/CA2862255A1/en not_active Abandoned
- 2012-12-15 EP EP12863233.8A patent/EP2798664B1/en active Active
-
2016
- 2016-04-13 US US15/098,197 patent/US9791424B2/en active Active
- 2016-11-24 JP JP2016227513A patent/JP6494588B2/ja active Active
Also Published As
| Publication number | Publication date |
|---|---|
| KR102044211B1 (ko) | 2019-11-13 |
| CN104025249B (zh) | 2016-12-07 |
| US9343276B2 (en) | 2016-05-17 |
| US20140332681A1 (en) | 2014-11-13 |
| JP2015503746A (ja) | 2015-02-02 |
| US9791424B2 (en) | 2017-10-17 |
| CN104025249A (zh) | 2014-09-03 |
| EP2798664A4 (en) | 2015-08-26 |
| CN107066789B (zh) | 2020-08-04 |
| EP2798664B1 (en) | 2020-10-28 |
| KR20140119037A (ko) | 2014-10-08 |
| EP2798664A1 (en) | 2014-11-05 |
| JP2017044708A (ja) | 2017-03-02 |
| JP6494588B2 (ja) | 2019-04-03 |
| WO2013098618A1 (en) | 2013-07-04 |
| CN107066789A (zh) | 2017-08-18 |
| US20160231295A1 (en) | 2016-08-11 |
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Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| EEER | Examination request |
Effective date: 20171206 |
|
| FZDE | Discontinued |
Effective date: 20210104 |