Quadrupole Ion Traps (QIT) • Time‐Of‐Flight (TOF) Mass Analyzers
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Mass Spectrometry: Quadrupole Mass Filter
Advanced Lab, Jan. 2008 Mass Spectrometry: Quadrupole Mass Filter The mass spectrometer is essentially an instrument which can be used to measure the mass, or more correctly the mass/charge ratio, of ionized atoms or other electrically charged particles. Mass spectrometers are now used in physics, geology, chemistry, biology and medicine to determine compositions, to measure isotopic ratios, for detecting leaks in vacuum systems, and in homeland security. Mass Spectrometer Designs The first mass spectrographs were invented almost 100 years ago, by A.J. Dempster, F.W. Aston and others, and have therefore been in continuous development over a very long period. However the principle of using electric and magnetic fields to accelerate and establish the trajectories of ions inside the spectrometer according to their mass/charge ratio is common to all the different designs. The following description of Dempster’s original mass spectrograph is a simple illustration of these physical principles: The magnetic sector spectrograph PUMP F DD S S3 1 r S2 Fig. 1: Dempster’s Mass Spectrograph (1918). Atoms/molecules are first ionized by electrons emitted from the hot filament (F) and then accelerated towards the entrance slit (S1). The ions then follow a semicircular trajectory established by the Lorentz force in a uniform magnetic field. The radius of the trajectory, r, is defined by three slits (S1, S2, and S3). Ions with this selected trajectory are then detected by the detector D. How the magnetic sector mass spectrograph works: Equating the Lorentz force with the centripetal force gives: qvB = mv2/r (1) where q is the charge on the ion (usually +e), B the magnetic field, m is the mass of the ion and r the radius of the ion trajectory. -
Hydrogen Abstraction from Titanium and Zirconium Oxides
The Pennsylvania State University The Graduate School Eberly College of Science NEW INSIGHTS IN THE GAS-PHASE ION CHEMISTRY OF GROUP IVB TRANSITION METAL OXIDES: CLUSTER MODELS FOR CATALYSIS A Dissertation in Chemistry by Christopher L. Harmon © 2016 Christopher L. Harmon Submitted in Partial Fulfillment Of the Requirements For the Degree of Doctor of Philosophy August 2016 The dissertation of Christopher L. Harmon was reviewed and approved* by the following: A. W. Castleman, Jr. Evan Pugh Professor of Chemistry and Physics Eberly Distinguished Chair in Science Dissertation Adviser Chair of Committee Nicholas Winograd Evan Pugh Professor of Chemistry Lasse Jensen Associate Professor of Chemistry Robert M. Rioux Friedrich G. Helfferich Associate Professor of Chemical Engineering Professor of Chemistry Kenneth S. Feldman Professor of Chemistry Graduate Program Chair *Signatures are on file in the Graduate School. ii Abstract The study of gas-phase cluster models has emerged as a useful tool to model catalytic active sites on surfaces. By observing how the reactivity of TMO clusters changes with cluster size, active site, and metal composition, we draw insights about the molecular factors governing reactivity and selectivity. The aim is to provide a conceptual framework to drive the development of improved catalysts with higher activity and selectivity. As group IVB transition metal oxides (TMOs) are widely used as catalysts and supports, we have undertaken mass spectrometric reactivity studies of titanium, zirconium, and hafnium oxide clusters with small organic molecules of interest in catalysis. We particularly note the differences in reactivity observed as the identity of the + metal in the cluster changes. We report the reactivity of MxO2x (M = Ti, Zr) clusters that contain radical atomic oxygen, O•−, with methane, ethane, propane, ethylene, and propylene. -
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. -
MASS SPECTROSCOPY APPLIED to GAS LEAK DETECTION and FUEL IONIZATION by JAYANTH POTHIREDDY a THESIS PRESENTED to the GRADUATE
MASS SPECTROSCOPY APPLIED TO GAS LEAK DETECTION AND FUEL IONIZATION By JAYANTH POTHIREDDY A THESIS PRESENTED TO THE GRADUATE SCHOOL OF THE UNIVERSITY OF FLORIDA IN PARTIAL FULFILLMENT OF THE REQUIREMENTS FOR THE DEGREE OF MASTER OF SCIENCE UNIVERSITY OF FLORIDA 2003 Copyright 2003 by Jayanth Pothireddy To my friends ACKNOWLEDGMENTS I would like to sincerely thank Dr. Corin Segal for giving me this wonderful opportunity and for his unlimited support, understanding and incredible patience without which I would not have successfully completed my thesis. I would also like to thank Dr. David Mikolaitis and Dr. Martin Vala for their support and Dr. Norman Fitz-Coy for his valuable suggestions. Many thanks go to Mr. Jan Szczepanski for giving me “first lessons” on mass spectrometry, invaluable suggestions, tremendous support and help in developing the mass spectrometry system. My heartfelt thanks go to my friends Venkat, Sujith, Gopi, Anand, “Iranian bros” Amir and Omid, Weizhong, Sampath, Harsha, Adil, Anant, Sasidhar, Charan, Danny, Jonas, Nelson, Zhu Wei, Ron, “Dr” Amit, Errol, Anurag, Priya, Amit “Saale” and Balaji for their support and understanding. I thank Ron Brown for constructing a nice model of the Space Shuttle aft compartment and for his help in moving the mass spectrometer cart to and fro from “chemistry” to “aero.” iv TABLE OF CONTENTS Page ACKNOWLEDGMENTS.................................................................................................. iv LIST OF FIGURES...........................................................................................................vii -
Mass Spectrometry (Part-II) Electrostatic Acceleration System
S.O.s. in environmental chemistry Jiwaji university, gwalior Presentation on:- Mass Spectrometry (part-II) Electrostatic Acceleration System:- 1) The positive ions formed in the ionisation chamber are withdrawn by the electric field which exists between the first accelerator plate and the second repeller plate. 2) A strong electrostatic field between accelerator and repeller plate accelerates the ions of masses m1 m2 m3... to their final velocities. 3) The ions which escape through slit having velocities and kinetic energies give. 2 2 2 eV=1/2m1v1 =1/2m2v2 =1/2m3v3 ...... Vacuum system:- 1) A high vacuum is to be maintained. 2) The inlet system is generally maintained at 0.015 torr, the ion source at 10-15 torr and analyzer tube at 10-7 torr or as low as possible. 3) Oil diffusion and mercury diffusion pumps are commonly used in different types of combination Mass analyzers:- 1) Separate ions based on their mass-to-charge ratio (m/z) 2) Operate under high vacuum (keeps ions from bumping into gas molecules) 3) Actually measure mass-to-charge ratio of ions (m/z) Types of mass analyzers:- 1) Quadrupole mass analyzer 2) Time of flight analyzer (TOF) 3) Magnetic sector mass analyzer a) Single focusing b) Double focusing 4) Quadrupole ion trap mass analyzer Quadrupole mass analyzer:- 1) It consists of 4 voltage carrying rods. 2) The ions are pass from one end to another end 3) During this apply the radiofrequency and voltage complex oscillations will takes place. 4) Here the single positive charge ions shows the stable oscillation and the remaining the shows the unstable oscillations Magnetic Sector Mass Analyzer:- In magnetic sector analyzers ions are accelerated through a flight tube, where the ions are separated by charge to mass ratios. -
A Researcher's Guide to Mass Spectrometry‐Based Proteomics
Proteomics 2016, 16, 2435–2443 DOI 10.1002/pmic.201600113 2435 TUTORIAL A researcher’s guide to mass spectrometry-based proteomics John P. Savaryn1,2∗, Timothy K. Toby3∗ and Neil L. Kelleher1,3,4 1 Proteomics Center of Excellence, Northwestern University, Evanston, Illinois, USA 2 Comprehensive Transplant Center, Northwestern University Feinberg School of Medicine, Chicago, Illinois, USA 3 Department of Molecular Biosciences, Northwestern University, Evanston, Illinois, USA 4 Department of Chemistry, Northwestern University, Evanston, Illinois, USA Mass spectrometry (MS) is widely recognized as a powerful analytical tool for molecular re- Received: February 24, 2016 search. MS is used by researchers around the globe to identify, quantify, and characterize Revised: May 18, 2016 biomolecules like proteins from any number of biological conditions or sample types. As Accepted: July 8, 2016 instrumentation has advanced, and with the coupling of liquid chromatography (LC) for high- throughput LC-MS/MS, a proteomics experiment measuring hundreds to thousands of pro- teins/protein groups is now commonplace. While expert practitioners who best understand the operation of LC-MS systems tend to have strong backgrounds in physics and engineering, consumers of proteomics data and technology are not exposed to the physio-chemical principles underlying the information they seek. Since articles and reviews tend not to focus on bridging this divide, our goal here is to span this gap and translate MS ion physics into language intuitive to the general reader active in basic or applied biomedical research. Here, we visually describe what happens to ions as they enter and move around inside a mass spectrometer. We describe basic MS principles, including electric current, ion optics, ion traps, quadrupole mass filters, and Orbitrap FT-analyzers. -
Arxiv:1512.05503V4 [Physics.Plasm-Ph] 14 Mar 2016
Multipole Electrodynamic Ion Trap Geometries for Microparticle Confinement Multipole Electrodynamic Ion Trap Geometries for Microparticle Confinement under Standard Ambient Temperature and Pressure Conditions Bogdan M. Mihalcea,1, a) Liviu C. Giurgiu,2 Cristina Stan,3 Gina T. Vi¸san,1 Mihai Ganciu,1 Vladimir E. Filinov,4 Dmitry Lapitsky,4, b) Lidiya Deputatova,4 and Roman Syrovatka4 1)National Institute for Laser, Plasma and Radiation Physics (INFLPR), Atomi¸stilorStr. Nr. 409, 077125 M˘agurele, Ilfov, Romania 2)University of Bucharest, Faculty of Physics, Atomistilor Str. Nr. 405, 077125 M˘agurele, Romania 3)Department of Physics, Politehnica University, 313 Splaiul Independent¸ei, RO-060042, Bucharest, Romania 4)Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya Str. 13, Bd. 2, 125412 Moscow, Russia Trapping of microparticles and aerosols is of great interest for physics and chemistry. We report microparticle trapping in case of multipole linear Paul trap geometries, operating under Standard Ambient Temperature and Pressure (SATP) conditions. An 8-electrode and a 12-electrode linear trap geometries have been designed and tested with an aim to achieve trapping for larger number of particles and to study microparticle dynamical stability in electrodynamic fields. We report emergence of planar and volume ordered structures of microparticles, depending on the a.c. trap- ping frequency and particle specific charge ratio. The electric potential within the trap is mapped using the electrolytic tank method. Particle dynamics is simulated using a stochastic Langevin equation. We emphasize extended regions of stable trap- ping with respect to quadrupole traps, as well as good agreement between experiment and numerical simulations. -
Quadrupole and Ion Trap Mass Analysers and an Introduction to Resolution a Simple Definition of a Mass Spectrometer
Quadrupole and Ion Trap Mass Analysers and an introduction to Resolution A simple definition of a Mass Spectrometer ◗ A Mass Spectrometer is an analytical instrument that can separate charged molecules according to their mass–to–charge ratio. The mass spectrometer can answer the questions “what is in the sample” (qualitative structural information) and “how much is present” (quantitative determination) for a very wide range of samples at high sensitivity Components of a Mass Spectrometer Atmosphere Vacuum System Sample Ionisation Mass Data Detector Inlet Method Analyser System How are mass spectra produced ? ◗ Ions are produced in the source and are transferred into the mass analyser ◗ They are separated according to their mass/charge ratio in the mass analyser (e.g. Quadrupole, Ion Trap) ◗ Ions of the various m/z values exit the analyser and are ‘counted’ by the detector What is a Mass Spectrum ? ◗ A mass spectrum is the relative abundance of ions of different m/z produced in an ion source -a “chemical fingerprint” ◗ It contains – Molecular weight information (generally) – Structural Information (mostly) – Quantitative information What does a mass spectrum look like ? ◗ Electrospray mass spectrum of salbutamol + 100 MH 240 OH NH tBu HO Base peak HO % at m/z 240 241 0 60 80 100 120 140 160 180 200 220 240 260 280 300 What information do you need from the analysis ? ◗ Low or High Mass range ◗ Average or Monoisotopic mass (empirical) ◗ Accurate Mass ◗ Quantitation - precision, accuracy, selectivity ◗ Identification ◗ Structural Information -
Mechanistic Study of Carbazole and Triphenylamine Dimerization and Pyrrolidine
Mechanistic Study of Carbazole and Triphenylamine Dimerization and Pyrrolidine Dehydrogenation Using Mass Spectrometry A thesis presented to the faculty of the College of Arts and Sciences of Ohio University In partial fulfillment of the requirements for the degree Master of Science Brian E. Hivick May 2019 © 2019 Brian E. Hivick. All Rights Reserved. 2 This thesis titled Mechanistic Study of Carbazole and Triphenylamine Dimerization and Pyrrolidine Dehydrogenation Using Mass Spectrometry by BRIAN E. HIVICK has been approved for the Department of Chemistry and Biochemistry and the College of Arts and Sciences by Hao Chen Professor of Chemistry and Biochemistry Joseph Shields Interim Dean, College of Arts and Sciences 3 ABSTRACT HIVICK, BRIAN E., M.S., May 2019, Chemistry Mechanistic Study of Carbazole and Triphenylamine Dimerization and Pyrrolidine Dehydrogenation Using Mass Spectrometry Director of Thesis: Hao Chen Mass spectrometry is one of the most powerful techniques used in analytical chemistry today. It has been utilized in a wide variety of fields, from synthesis to pharmaceuticals to analyzing medicinal samples. One of its greatest strengths is its ability to be combined with other techniques to further improve the collected data. In this work, the ability to couple mass spectrometry with electrochemistry in the dimerization of two aromatic amines, carbazole and triphenylamine, is explored, and insight into the underlying dimerization mechanism is achieved. In addition, photochemistry is also coupled with mass spectrometry, and the potential dehydrogenation of pyrrolidine is explored. 4 DEDICATION I dedicate this work to my parents and siblings, who have done so much for me throughout my life and have unequivocally supported me in all of my decisions. -
Agilent 6545 Q-TOF Mass Spectrometer
The Agilent 6545 Q-TOF mass spectrometer The Agilent 6545 Q-TOF mass spectrometer, which is shown in the following picture, is a state-of-the-art quadrupole time-of-flight (Q-TOF) mass spectrometer that performs both high resolution mass spectrometry (HRMS) and high-resolution tandem mass spectrometry (HRMS/MS). It consists of a quadrupole mass analyzer, a hexapole collision cell, and a high resolution TOF mass analyzer. During HRMS analysis, the quadrupole mass analyzer and the hexapole collision cell are simply used as ion guides to transport ions. During HRMS/MS analysis, the quadrupole mass analyzer selects precursor ions that are fragmented in the hexapole collision cell into product ions, which are then impelled to the TOF mass analyzer, at an angle perpendicular to the original path. 1 The following Figure shows the ion optics of the Agilent 6545 Q-TOF mass spectrometer, with major improvements over the Agilent 6540 Q-TOF mass spectrometer identified. 1. Enhanced Wide Bore Lens 2. Identical to the lens 2 design used in the 6560, a larger orifice is used in the 6545. Ions are still conditioned via DC and RF voltages prior to quad transmission or isolation, but ions will not get in close proximity to the lens surface. The possible risk of ion deposition on the surface is greatly reduced, leading to an increased robustness of the system under high ion current conditions. 2. Slicer design. The slicer design on the 6545 is identical to the 6550. It has 2 different sizes of the opening: a larger one for high sensitivity applications, and a smaller one for high resolution applications. -
Mass Spectrophotometry: an Advanced Technique in Biomedical
s in que Bio ni lo h g c y e T & d M e e Paital, Adv Tech Biol Med 2016, 4:3 c Advanced Techniques in d n i c a i v n DOI: 10.4172/2379-1764.1000182 d e A ISSN: 2379-1764 Biology & Medicine Review Article OpenOpen Access Access Mass Spectrophotometry: An Advanced Technique in Biomedical Sciences Biswaranjan Paital* Department of Zoology, CBSH, Orissa University of Agriculture and Technology, Bhubaneswar, 751003, Odisha, India Abstract Present century is the era of life sciences and metabolomics is the dominating field in present day over genomics and proteomics. Powerful techniques in the later cases are useful to determine the qualitative and quantitative studies of the levels of metabolites in bio-medical samples. In past time, biochemistry had very least role because the analyses of metabolites using individual conventional biochemical techniques had been used from past centuries. Owing to this limitation, mass spectrometry (MS) was introduced in bio-medical sciences. The fundamental rule in MS is that it ionizes individual chemical species and sorts the fragmented samples at charged state (ions) on the basis of their mass to charge (m/z) ratio. Therefore, each molecule in purified form or in homogenate can be identified and quantified based on their unique m/z ratio. In other words, MS measures the masses of the fragmented samples by enabling them to be charged during measurement. This particular technique has therefore, many applications starting from quantitative to qualitative analyses of metabolites under normal, experimental and diseased conditions in organisms including human being. -
Mass Spectrometry Interfaced with Ion Mobility Or
MASS SPECTROMETRY INTERFACED WITH ION MOBILITY OR LIQUID CHROMATOGRAPHY SEPARATION FOR THE ANALYSIS OF COMPLEX MIXTURES A Dissertation Presented to The Graduate Faculty of The University of Akron In Partial Fulfillment of the Requirements for the Degree Doctor of Philosophy Danijela Smiljanic December, 2011 MASS SPECTROMETRY INTERFACED WITH ION MOBILITY OR LIQUID CHROMATOGRAPHY SEPARATION FOR THE ANALYSIS OF COMPLEX MIXTURES Dissertation Danijela Smiljanic Approved: Accepted: ________________________________ _________________________________ Advisor Department Chair Dr. Chrys Wesdemiotis Dr. Kim C. Calvo ________________________________ _________________________________ Committee Member Dean of the College Dr. Bi-min Zhang Newby Dr. Chand K. Midha ________________________________ _________________________________ Committee Member Dean of the Graduate School Dr. David Perry Dr. George R. Newkome ________________________________ _________________________________ Committee Member Date Dr. Yi Pang ________________________________ Committee Member Dr. Peter Rinaldi ii ABSTRACT This dissertation focuses on coupling separation techniques such as ion mobility (IM) and liquid chromatography (LC) to mass spectrometry and their application to characterization of complex mixtures. Non-covalent complexes between poly(ethylene imine) (PEI) and single stranded oligodeoxynucleotides (ODNs), as well as components from black raspberries, were characterized utilizing ion mobility mass spectrometry (IM- MS) and liquid chromatography mass spectrometry (LC-MS),