Liquid Chromatography-Mass Spectrometry Interface for Detection of Extraterrestrial Organics
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Mass Spectrometer Business Presentation Materials
Mass Spectrometer Business Presentation Materials Hiroto Itoi, Corporate Officer Deputy General Manager of the Analytical & Measuring Instruments Division Shimadzu Corporation Jul. 3, 2018 Contents I. Introduction • Expansion of Mass Spectrometry ………………………………………………………………… p.3 • History of Shimadzu's Growth in Mass Spectrometry …………………………………………… p.5 II. Overview of Mass Spectrometers • Operating Principle, Demand Trends, and Vendors ……………………………………………… p.9 • Mass Spectra ………………………………………………………………………………………… p.10 • Configuration of Mass Spectrometers …………………………………………………………… p.11 • Ionization …………………………………………………………………………………………… p.12 • Mass Separation …………………………………………………………………………………… p.14 III. Shimadzu's Mass Spectrometer Business • Product Type ………………………………………………………………………………………… p.17 • Application Software ………………………………………………………………………………… p.18 • Growth Strategy for Mass Spectrometer Business ……………………………………………… p.19 • Expand/Improve Product Lines …………………………………………………………………… p.20 • Measures to Expand Application Fields …………………………………………………………… p.24 • Measures to Automate Data Processing Using AI ……………………………………………… p.25 IV. Summary • Future Direction ……………………………………………………………………………………… p.26 July 2018 Mass Spectrometer Business Presentation Materials 2 I. Introduction Expansion of Mass Spectrometry (1) Why Mass Spectrometry? Mass spectrometry is able to analyze a wide variety of compounds with high accuracy and high efficiency (simultaneous multicomponent analysis). It offers superior characteristics that are especially beneficial in the following fields, -
(ESI) Electrospray Ionization
Electrospray Ionization (ESI) • sample solution • voltage drop • solvent evaporates is injected between source, away as droplets directly into analyzer generates migrate across gap instrument ionized droplets “sheath gas” Electrospray Ionization (ESI) Injected solution usually includes ionizing agent H+ (from acid), Na+, K+ Large droplets from injected stream Resulting ions can be spontaneously eject singly or multiply smaller droplets (due to charged electrostatic repulsion) Electrospray Ionization (ESI) Multiply charged ions frequently observed. ESI M [M•H]+ + [M•2H]2+ + [M•3H]3+ + ... or [M•Na]+ + [M•2Na]2+ + [M•3Na]3+ + ... multiply lysozyme: charged big > 10 kDa protein (protonated) ions From this series of peaks, how do we determine mass of protein? Charge Ladders in Electrospray Ionization We know two things: 1. Any peak corresponds to [M•nH]n+; ion mass m =M+= M + n, charge z = n. 2. Peak to that peak’s left has one more proton attached, one more charge; ion mass m = M + n + 1, charge z = n + 1. Charge Ladders in Electrospray Ionization Set of simultaneous equations: (observed m/z #1) • z = M + z(H+) (observed m/z #2) • (z + 1) = M + z(H+) + 1 2 1 Charge Ladders in Electrospray Ionization Now performed by computer algorithm Set of simultaneous equations: that searches for ladders, outputs likely mass candidates. 1486 • z = M + z 1372.5 • (z + 1) = M + z + 1 Solution: z = 12 M = 17827.2 [M•13H]13+ 2 [M•12H]1 12+ actual MW lysozyme: 17825.2 If sample contains a mixture of counterions, can get messy. ESI-MS 22-mer single-stranded DNA (difficult to desalt) Atmospheric Pressure Chemical Ionization (APCI) •+ •+ Analogous to CI, but uses discharge to generate N2 /O2 , which then iiionizes evapora tdltllThthiited solvent molecules. -
Contents • Introduction to Proteomics and Mass Spectrometry
Contents • Introduction to Proteomics and Mass spectrometry - What we need to know in our quest to explain life - Fundamental things you need to know about mass spectrometry • Interfaces and ion sources - Electrospray ionization (ESI) - conventional and nanospray - Heated nebulizer atmospheric pressure chemical ionization - Matrix assisted laser desorption • Types of MS analyzers - Magnetic sector - Quadrupole - Time-of-flight - Hybrid - Ion trap In the next step in our quest to explain what is life The human genome project has largely been completed and many other genomes are surrendering to the gene sequencers. However, all this knowledge does not give us the information that is needed to explain how living cells work. To do that, we need to study proteins. In 2002, mass spectrometry has developed to the point where it has the capacity to obtain the "exact" molecular weight of many macromolecules. At the present time, this includes proteins up to 150,000 Da. Proteins of higher molecular weights (up to 500,000 Da) can also be studied by mass spectrometry, but with less accuracy. The paradigm for sequencing of peptides and identification of proteins has changed – because of the availability of the human genome database, peptides can be identified merely by their masses or by partial sequence information, often in minutes, not hours. This new capacity is shifting the emphasis of biomedical research back to the functional aspects of cell biochemistry, the expression of particular sets of genes and their gene products, the proteins of the cell. These are the new goals of the biological scientist: o to know which proteins are expressed in each cell, preferably one cell at a time o to know how these proteins are modified, information that cannot necessarily be deduced from the nucleotide sequence of individual genes. -
Modern Mass Spectrometry
Modern Mass Spectrometry MacMillan Group Meeting 2005 Sandra Lee Key References: E. Uggerud, S. Petrie, D. K. Bohme, F. Turecek, D. Schröder, H. Schwarz, D. Plattner, T. Wyttenbach, M. T. Bowers, P. B. Armentrout, S. A. Truger, T. Junker, G. Suizdak, Mark Brönstrup. Topics in Current Chemistry: Modern Mass Spectroscopy, pp. 1-302, 225. Springer-Verlag, Berlin, 2003. Current Topics in Organic Chemistry 2003, 15, 1503-1624 1 The Basics of Mass Spectroscopy ! Purpose Mass spectrometers use the difference in mass-to-charge ratio (m/z) of ionized atoms or molecules to separate them. Therefore, mass spectroscopy allows quantitation of atoms or molecules and provides structural information by the identification of distinctive fragmentation patterns. The general operation of a mass spectrometer is: "1. " create gas-phase ions "2. " separate the ions in space or time based on their mass-to-charge ratio "3. " measure the quantity of ions of each mass-to-charge ratio Ionization sources ! Instrumentation Chemical Ionisation (CI) Atmospheric Pressure CI!(APCI) Electron Impact!(EI) Electrospray Ionization!(ESI) SORTING DETECTION IONIZATION OF IONS OF IONS Fast Atom Bombardment (FAB) Field Desorption/Field Ionisation (FD/FI) Matrix Assisted Laser Desorption gaseous mass ion Ionisation!(MALDI) ion source analyzer transducer Thermospray Ionisation (TI) Analyzers quadrupoles vacuum signal Time-of-Flight (TOF) pump processor magnetic sectors 10-5– 10-8 torr Fourier transform and quadrupole ion traps inlet Detectors mass electron multiplier spectrum Faraday cup Ionization Sources: Classical Methods ! Electron Impact Ionization A beam of electrons passes through a gas-phase sample and collides with neutral analyte molcules (M) to produce a positively charged ion or a fragment ion. -
An Organic Chemist's Guide to Electrospray Mass Spectrometric
molecules Review An Organic Chemist’s Guide to Electrospray Mass Spectrometric Structure Elucidation Arnold Steckel 1 and Gitta Schlosser 2,* 1 Hevesy György PhD School of Chemistry, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary; [email protected] 2 Department of Analytical Chemistry, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary * Correspondence: [email protected] Received: 16 January 2019; Accepted: 8 February 2019; Published: 10 February 2019 Abstract: Tandem mass spectrometry is an important tool for structure elucidation of natural and synthetic organic products. Fragmentation of odd electron ions (OE+) generated by electron ionization (EI) was extensively studied in the last few decades, however there are only a few systematic reviews available concerning the fragmentation of even-electron ions (EE+/EE−) produced by the currently most common ionization techniques, electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI). This review summarizes the most important features of tandem mass spectra generated by collision-induced dissociation fragmentation and presents didactic examples for the unexperienced users. Keywords: tandem mass spectrometry; MS/MS fragmentation; collision-induced dissociation; CID; ESI; structure elucidation 1. Introduction Electron ionization (EI), a hard ionization technique, is the method of choice for analyses of small (<1000 Da), nonpolar, volatile compounds. As its name implies, the technique involves ionization by electrons with ~70 eV energy. This energy is high enough to yield very reproducible mass spectra with a large number of fragments. However, these spectra frequently lack the radical type molecular ions (M+) due to the high internal energy transferred to the precursors [1]. -
Orbitrap Fusion Tribrid Mass Spectrometer
MASS SPECTROMETRY Product Specifications Thermo Scientific Orbitrap Fusion Tribrid Mass Spectrometer Unmatched analytical performance, revolutionary MS architecture The Thermo Scientific™ Orbitrap Fusion™ mass spectrometer combines the best of quadrupole, Orbitrap, and linear ion trap mass analysis in a revolutionary Thermo Scientific™ Tribrid™ architecture that delivers unprecedented depth of analysis. It enables life scientists working with even the most challenging samples—samples of low abundance, high complexity, or difficult-to-analyze chemical structure—to identify more compounds faster, quantify them more accurately, and elucidate molecular composition more thoroughly. • Tribrid architecture combines quadrupole, followed by ETD or EThCD for glycopeptide linear ion trap, and Orbitrap mass analyzers characterization or HCD followed by CID • Multiple fragmentation techniques—CID, for small-molecule structural analysis. HCD, and optional ETD and EThCD—are available at any stage of MSn, with The ultrahigh resolution of the Orbitrap mass subsequent mass analysis in either the ion analyzer increases certainty of analytical trap or Orbitrap mass analyzer results, enabling molecular-weight • Parallelization of MS and MSn acquisition determination for intact proteins and confident to maximize the amount of high-quality resolution of isobaric species. The unsurpassed data acquired scan rate and resolution of the system are • Next-generation ion sources and ion especially useful when dealing with complex optics increase system ease of operation and robustness and low-abundance samples in proteomics, • Innovative instrument control software metabolomics, glycomics, lipidomics, and makes setup easier, methods more similar applications. powerful, and operation more intuitive The intuitive user interface of the tune editor The Orbitrap Fusion Tribrid MS can perform and method editor makes instrument calibration a wide variety of analyses, from in-depth and method development easier. -
Methods of Ion Generation
Chem. Rev. 2001, 101, 361−375 361 Methods of Ion Generation Marvin L. Vestal PE Biosystems, Framingham, Massachusetts 01701 Received May 24, 2000 Contents I. Introduction 361 II. Atomic Ions 362 A. Thermal Ionization 362 B. Spark Source 362 C. Plasma Sources 362 D. Glow Discharge 362 E. Inductively Coupled Plasma (ICP) 363 III. Molecular Ions from Volatile Samples. 364 A. Electron Ionization (EI) 364 B. Chemical Ionization (CI) 365 C. Photoionization (PI) 367 D. Field Ionization (FI) 367 IV. Molecular Ions from Nonvolatile Samples 367 Marvin L. Vestal received his B.S. and M.S. degrees, 1958 and 1960, A. Spray Techniques 367 respectively, in Engineering Sciences from Purdue Univesity, Layfayette, IN. In 1975 he received his Ph.D. degree in Chemical Physics from the B. Electrospray 367 University of Utah, Salt Lake City. From 1958 to 1960 he was a Scientist C. Desorption from Surfaces 369 at Johnston Laboratories, Inc., in Layfayette, IN. From 1960 to 1967 he D. High-Energy Particle Impact 369 became Senior Scientist at Johnston Laboratories, Inc., in Baltimore, MD. E. Low-Energy Particle Impact 370 From 1960 to 1962 he was a Graduate Student in the Department of Physics at John Hopkins University. From 1967 to 1970 he was Vice F. Low-Energy Impact with Liquid Surfaces 371 President at Scientific Research Instruments, Corp. in Baltimore, MD. From G. Flow FAB 371 1970 to 1975 he was a Graduate Student and Research Instructor at the H. Laser Ionization−MALDI 371 University of Utah, Salt Lake City. From 1976 to 1981 he became I. -
A Novel High Resolution Accurate Mass Orbitrap-Based GC-MS
ROUTINE OR RESEARCH GC-Orbitrap for Environmental Analysis a collaboration between ROUTINE OR RESEARCH GC-Orbitrap for Environmental Analysis Foreword A Novel High Resolution Accurate Mass Orbitrap-based GC-MS Platform for Routine Analysis of Short Chained Chlorinated Paraffins In this study, the performance of a novel bench top, high resolution accurate mass Orbitrap™-based GC-MS was tested for the analysis of SCCPs. System performance was tested using full-scan acquisition and simple instrumental setup. Pyrolysis-GC-Orbitrap MS - A Powerful Analytical Tool for Identification and Quantification of Microplastics in a Biological Matrix The purpose of the experiments described in this work was to assess the applicability of pyrolysis-gas chromatography-Orbitrap™ mass spectrometry for the qualitative and quantitative analysis of plastic polymers in complex biological matrices. Low Level Quantification of NDMA and Non-targeted Contaminants Screening in Drinking Water using GC Orbitrap Mass Spectrometry In this work, a sensitive and selective method for NDMA detection and quantification using high resolution accurate mass GC Orbitrap™ technology is described. Overcoming Analytical Challenges for Polybrominated Diphenyl Ethers (PBDEs) Analysis in Environmental Samples using Gas Chromatography – Orbitrap Mass Spectrometry The note demonstrates the quantitative performance of the Thermo Scientific™ Exactive™ GC Orbitrap™ GC-MS mass spectrometer for the analysis of polybrominated diphenyl ethers (PBDEs) in environmental samples. Versatility of GC-Orbitrap Mass Spectrometry for the Ultra-trace Detection of Persistent Organic Pollutants in Penguin Blood from Antarctica In this study, the performance of the Thermo Scientific™ Q Exactive™ GC Orbitrap™ mass spectrometer was evaluated for routine analysis of POPs within King penguin blood from Antarctica. -
Electrification Ionization: Fundamentals and Applications
Louisiana State University LSU Digital Commons LSU Doctoral Dissertations Graduate School 11-12-2019 Electrification Ionization: undamentalsF and Applications Bijay Kumar Banstola Louisiana State University and Agricultural and Mechanical College Follow this and additional works at: https://digitalcommons.lsu.edu/gradschool_dissertations Part of the Analytical Chemistry Commons Recommended Citation Banstola, Bijay Kumar, "Electrification Ionization: undamentalsF and Applications" (2019). LSU Doctoral Dissertations. 5103. https://digitalcommons.lsu.edu/gradschool_dissertations/5103 This Dissertation is brought to you for free and open access by the Graduate School at LSU Digital Commons. It has been accepted for inclusion in LSU Doctoral Dissertations by an authorized graduate school editor of LSU Digital Commons. For more information, please [email protected]. ELECTRIFICATION IONIZATION: FUNDAMENTALS AND APPLICATIONS A Dissertation Submitted to the Graduate Faculty of the Louisiana State University and Agricultural and Mechanical College in partial fulfillment of the requirements for the degree of Doctor of Philosophy in The Department of Chemistry by Bijay Kumar Banstola B. Sc., Northwestern State University of Louisiana, 2011 December 2019 This dissertation is dedicated to my parents: Tikaram and Shova Banstola my wife: Laxmi Kandel ii ACKNOWLEDGEMENTS I thank my advisor Professor Kermit K. Murray, for his continuous support and guidance throughout my Ph.D. program. Without his unwavering guidance and continuous help and encouragement, I could not have completed this program. I am also thankful to my committee members, Professor Isiah M. Warner, Professor Kenneth Lopata, and Professor Shengli Chen. I thank Dr. Fabrizio Donnarumma for his assistance and valuable insights to overcome the hurdles throughout my program. I appreciate Miss Connie David and Dr. -
Electrospray Ionization and Samples Complexity in Meta-Metabolomics
Electrospray Ionization and samples complexity in Meta-metabolomics: a biomarker or a suppressed ion? Hikmat Ghosson, Chandrashekhar Patil, Amani Ben Jrad, Delphine Raviglione, Marie-Virginie Salvia, Cédric Bertrand To cite this version: Hikmat Ghosson, Chandrashekhar Patil, Amani Ben Jrad, Delphine Raviglione, Marie-Virginie Salvia, et al.. Electrospray Ionization and samples complexity in Meta-metabolomics: a biomarker or a suppressed ion?. European RFMF Metabomeeting 2020, Jan 2020, Toulouse, France. European RFMF Metabomeeting 2020 Book Of Abstract, pp.248, 2020, Poster abstracts. hal-02456148 HAL Id: hal-02456148 https://hal.archives-ouvertes.fr/hal-02456148 Submitted on 27 Jan 2020 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Distributed under a Creative Commons Attribution - NonCommercial - NoDerivatives| 4.0 International License Project co-financed by the European Regional Development Fund (ERDF) Electrospray Ionization and samples complexity in Meta-metabolomics: a biomarker or a suppressed ion? Hikmat Ghosson1,2,*, Chandrashekhar Patil1, Amani Ben Jrad1,2, Delphine Raviglione1,2, Marie-Virginie Salvia1,2,3, Cédric Bertrand1,2,3,4 *: [email protected] 1: PSL Université Paris: EPHE-UPVD-CNRS, USR 3278 CRIOBE, Université de Perpignan, 52 Avenue Paul Alduy, 66860 Perpignan Cedex, France 2: UFR Sciences Exactes et Expérimentales, Université de Perpignan Via Domitia, 52 Avenue Paul Alduy, 66860 Perpignan Cedex, France 3: Laboratoire d’Excellence « CORAIL », Université de Perpignan, 52 Avenue Paul Alduy, 66860 Perpignan Cedex, France 4: S.A.S. -
Thermospray Mass Spectrometry , a New Technique for Studying The
430 Notizen Thermospray Mass Spectrometry , a New charged droplets. These droplets decompose in a Technique for Studying the Relative Stability heated jet chamber in which a pressure of several of Cluster Ions of Salts mbar is maintained, and desolvated ions enter the mass analyser via a small orifice. Typically quadru- G. Schmelzeisen-Redeker, S. S. Wong, pole mass filters are employed. For the production U. Giessmann, and F. W. Röllgen of salt cluster ions the temperatures of the jet and in Institut für Physikalische Chemie der Universität Bonn the jet chamber must be high enough to allow the Z. Naturforsch. 40a,430-431 (1985); decomposition of charged small solid particles. For received February 23. 1985 the ammonium halide this condition is easily achieved. Thermospray (TSP) mass spectrometry provides a means of studying stability effects in the frequency distribution of The ammonium chloride cluster ion distribution cluster ions of salts under conditions of heat transfer to the as obtained by the new TSP technique is shown in cluster ions via thermal collisions in a gas. This is demon- strated for the cluster ions of ammonium chloride. The Figure 2. The TSP mass spectrum was obtained TSP mass spectrum is compared with that obtained by with the experimental arrangement described in sputtering of the salt in secondary ion mass spectrometry. [16], A quadrupole mass filter with a mass range 1-420 was utilized. A 0.1 molar aqueous solution of NH C1 was applied. The temperature at the end Cluster ions of salts are easily generated by 4 of the capillary was 250 °C and the temperature of particle impact in secondary ion mass spectrometry the jet chamber was 180 °C. -
Spatially Resolved Metabolomics to Discover Tumor- Associated Metabolic Alterations
Spatially resolved metabolomics to discover tumor- associated metabolic alterations Chenglong Suna, Tiegang Lia, Xiaowei Songa, Luojiao Huanga, Qingce Zanga, Jing Xua, Nan Bib, Guanggen Jiaoc, Yanzeng Haoc, Yanhua Chena, Ruiping Zhanga, Zhigang Luoa, Xin Lia, Luhua Wangb, Zhonghua Wangd, Yongmei Songe, Jiuming Hea,1, and Zeper Abliza,d,1 aState Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, 100050 Beijing, China; bDepartment of Radiation Oncology, Cancer Institute, Cancer Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College, 100021 Beijing, China; cDepartment of Pathology and Thoracic Surgery, Linzhou Esophageal Cancer Hospital, 456500 Linzhou, China; dCenter for Imaging and Systems Biology, Minzu University of China, 100081 Beijing, China; and eState Key Laboratory of Molecular Oncology, Cancer Institute, Cancer Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College, 100021 Beijing, China Edited by Matthew G. Vander Heiden, Koch Institute at Massachusetts Institute of Technology, and accepted by Editorial Board Member Rakesh K. Jain November 27, 2018 (received for review May 24, 2018) Characterization of tumor metabolism with spatial information tissue samples is lost over the course of elaborate sample pre- contributes to our understanding of complex cancer metabolic treatment (7). Matrix-assisted laser desorption ionization mass reprogramming, facilitating the discovery of potential metabolic spectrometry imaging (MALDI-MSI) is an effective tool to vi- vulnerabilities that might be targeted for tumor therapy. However, sualize the spatial location of proteins and metabolites with high given the metabolic variability and flexibility of tumors, it is still spatial resolution, but high-vacuum environments and matrix challenging to characterize global metabolic alterations in heteroge- assistance are usually needed for ionization (8–11).