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 (cg-RX-API-DMAC7.html) |
| EP (1) | EP2798664B1 (cg-RX-API-DMAC7.html) |
| JP (2) | JP2015503746A (cg-RX-API-DMAC7.html) |
| KR (1) | KR102044211B1 (cg-RX-API-DMAC7.html) |
| CN (2) | CN104025249B (cg-RX-API-DMAC7.html) |
| CA (1) | CA2862255A1 (cg-RX-API-DMAC7.html) |
| WO (1) | WO2013098618A1 (cg-RX-API-DMAC7.html) |
Families Citing this family (27)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| CN104718449B (zh) * | 2012-11-15 | 2017-06-06 | Dh科技发展私人贸易有限公司 | 用于在不使用前体离子信息的情况下从ms/ms数据识别化合物的系统及方法 |
| 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 |
| 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 |
| US9768009B2 (en) | 2013-10-16 | 2017-09-19 | Dh Technologies Development Pte. Ltd. | Systems and methods for arbitrary quadrupole transmission windowing |
| US10041907B2 (en) * | 2014-09-26 | 2018-08-07 | 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 |
| EP3254126B1 (en) * | 2015-02-05 | 2019-11-13 | DH Technologies Development PTE. Ltd. | Interference detection and peak of interest deconvolution |
| CN107209156B (zh) * | 2015-02-05 | 2020-06-09 | Dh科技发展私人贸易有限公司 | 经由曲线减法检测基于质谱的相似性 |
| US20180108521A1 (en) * | 2015-03-11 | 2018-04-19 | DH Technologies Development Pte Ltd. | Method of Increasing Quality of Tandem Mass Spectra |
| EP3304382B1 (en) | 2015-05-29 | 2025-10-22 | Waters Technologies Corporation | Techniques for processing of mass spectral data |
| WO2018029554A1 (en) * | 2016-08-10 | 2018-02-15 | Dh Technologies Development Pte. Ltd. | Automated spectral library retention time correction |
| WO2018097129A1 (en) * | 2016-11-23 | 2018-05-31 | Atonarp Inc. | System and method for determining set of mass to charge ratios for set of gases |
| US11474087B2 (en) * | 2016-12-20 | 2022-10-18 | 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 |
| EP3410463B1 (en) | 2017-06-02 | 2021-07-28 | Thermo Fisher Scientific (Bremen) GmbH | Hybrid mass spectrometer |
| 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 |
| 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 |
| 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 |
| EP3740964A4 (en) * | 2018-01-17 | 2021-10-06 | DH Technologies Development Pte. Ltd. | DM SWATH COLLECTION TO IMPROVE MSMS CONFIDENCE |
| CN112534267A (zh) | 2018-08-31 | 2021-03-19 | Dh科技发展私人贸易有限公司 | 复杂样本中相关化合物的识别和评分 |
| EP3942593A4 (en) * | 2019-03-22 | 2023-01-11 | DH Technologies Development Pte. Ltd. | DETERMINING THE ELUTION OF AGNOSTIC COMPOUNDS |
| 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 |
| CN113631920B (zh) | 2019-05-31 | 2024-04-26 | Dh科技发展私人贸易有限公司 | 用于前体推理的扫描带数据和概率框架的实时编码的方法 |
| 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 |
| WO2022064447A1 (en) | 2020-09-24 | 2022-03-31 | Waters Technologies Corporation | Chromatographic hardware improvements for the separation of reactive molecules |
Family Cites Families (16)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| DE4142869C1 (cg-RX-API-DMAC7.html) * | 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 |
| CN100550275C (zh) * | 2003-01-24 | 2009-10-14 | 萨莫芬尼根有限责任公司 | 控制质量分析器中的离子数目 |
| 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 |
| US20100286927A1 (en) * | 2009-05-06 | 2010-11-11 | Agilent Technologies, Inc. | Data Dependent Acquisition System for Mass Spectrometry 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 JP JP2014549552A patent/JP2015503746A/ja active Pending
- 2012-12-15 CN CN201280064280.1A patent/CN104025249B/zh active Active
- 2012-12-15 CN CN201611153278.8A patent/CN107066789B/zh active Active
- 2012-12-15 WO PCT/IB2012/002723 patent/WO2013098618A1/en not_active Ceased
- 2012-12-15 KR KR1020147020189A patent/KR102044211B1/ko active Active
- 2012-12-15 EP EP12863233.8A patent/EP2798664B1/en active Active
- 2012-12-15 CA CA2862255A patent/CA2862255A1/en not_active Abandoned
- 2012-12-15 US US14/368,874 patent/US9343276B2/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 |
|---|---|
| WO2013098618A1 (en) | 2013-07-04 |
| CN104025249B (zh) | 2016-12-07 |
| KR102044211B1 (ko) | 2019-11-13 |
| CN104025249A (zh) | 2014-09-03 |
| JP2017044708A (ja) | 2017-03-02 |
| EP2798664A4 (en) | 2015-08-26 |
| US9343276B2 (en) | 2016-05-17 |
| JP6494588B2 (ja) | 2019-04-03 |
| US9791424B2 (en) | 2017-10-17 |
| US20140332681A1 (en) | 2014-11-13 |
| CN107066789A (zh) | 2017-08-18 |
| KR20140119037A (ko) | 2014-10-08 |
| EP2798664B1 (en) | 2020-10-28 |
| EP2798664A1 (en) | 2014-11-05 |
| CN107066789B (zh) | 2020-08-04 |
| US20160231295A1 (en) | 2016-08-11 |
| JP2015503746A (ja) | 2015-02-02 |
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Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| EEER | Examination request |
Effective date: 20171206 |
|
| FZDE | Discontinued |
Effective date: 20210104 |