Mass Spectrometry And Its Applications To Organic Chemistry Pdf

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mass spectrometry and its applications to organic chemistry pdf

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Mass spectrometry MS is a powerful analytical tool with many applications in pharmaceutical and biomedical field. The increase in sensitivity and resolution of the instrument has opened new dimensions in analysis of pharmaceuticals and complex metabolites of biological systems. Compared with other techniques, mass spectroscopy is only the technique for molecular weight determination, through which we can predict the molecular formula.

DOI: Abstract PDF. With the Liquid Chromatography LC the separation of components can be done and then the sample eluents from LC are transferred into Mass Spectrometry MS where the detection, identification and determination of masses of components can be done in presence of other components. LC-MS is used in determination, of pharmaceutical drug substances, intermediates and its related compounds for quantitative and qualitative purpose.

Introduction

Mass spectrometry , also called mass spectroscopy , analytic technique by which chemical substances are identified by the sorting of gaseous ions in electric and magnetic fields according to their mass-to-charge ratios. The instruments used in such studies are called mass spectrometers and mass spectrographs , and they operate on the principle that moving ions may be deflected by electric and magnetic fields. The two instruments differ only in the way in which the sorted charged particles are detected. In the mass spectrometer they are detected electrically, in the mass spectrograph by photographic or other nonelectrical means; the term mass spectroscope is used to include both kinds of devices. Since electrical detectors are now most commonly used, the field is typically referred to as mass spectrometry. Mass spectroscopes consist of five basic parts: a high vacuum system; a sample handling system, through which the sample to be investigated can be introduced; an ion source, in which a beam of charged particles characteristic of the sample can be produced; an analyzer, in which the beam can be separated into its components; and a detector or receiver by means of which the separated ion beams can be observed or collected.

Specific applications of mass spectrometry include drug testing and discovery, food contamination detection, pesticide residue analysis, isotope ratio determination, protein identification, and carbon dating. Listed below are some application areas in which mass spectrometry has been used to discover, deduce, and quantify sample compounds. Applications of mass spectrometry in proteomics - Characterization of proteins and protein complexes, sequencing of peptides, and identification of posttranslational modifications. Applications of mass spectrometry in metabolomics - Cancer screening and diagnosis, global metabolic fingerprinting analysis, biomarker discovery and profiling, biofuels generation and use, lipidomics studies, and metabolic disorder profiling. Applications of mass spectrometry in environmental analysis - Drinking water testing, pesticide screening and quantitation, soil contamination assessment, carbon dioxide and pollution monitoring, and trace elemental analysis of heavy metals leaching. Applications of mass spectrometry in pharmaceutical analysis - Drug discovery and absorption, distribution, metabolism, and elimination ADME studies, pharmacokinetic and pharmacodynamic analyses, metabolite screening, and preclinical development.

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Mass Spectrometry Applications Areas

Most mass spectrometers are set up to analyze positively charged fragments, although negative-ion mass spectrometry also is possible. The elements of a mass spectrometer are shown in Figure With good resolution, only the ions of a single mass number will pass through the slit and impinge on the collector, even when the mass numbers are in the neighborhood of several thousand. The populations of the whole range of mass numbers of interest can be determined by plotting the rate of ion collection as a function of the magnetic field of the analyzing magnet. Mass spectra of 2-propanone, 2-butanone, and propanal are shown in Figure

Application of Mass Spectroscopy in Pharmaceutical and Biomedical Analysis

Mass spectrometry MS is an analytical technique that is used to measure the mass-to-charge ratio of ions. The results are typically presented as a mass spectrum , a plot of intensity as a function of the mass-to-charge ratio. Mass spectrometry is used in many different fields and is applied to pure samples as well as complex mixtures. A mass spectrum is a plot of the ion signal as a function of the mass-to-charge ratio.

Mass spectrometry is a powerful analytical technique used to quantify known materials, to identify unknown compounds within a sample, and to elucidate the structure and chemical properties of different molecules. This technique basically studies the effect of ionizing energy on molecules. It depends upon chemical reactions in the gas phase in which sample molecules are consumed during the formation of ionic and neutral species. The first step in the mass spectrometric analysis of compounds is the production of gas phase ions of the compound, basically by electron ionization.

In mass spectrometry, fragmentation is the dissociation of energetically unstable molecular ions formed from passing the molecules in the ionization chamber of a mass spectrometer. The fragments of a molecule cause a unique pattern in the mass spectrum. These reactions are well documented over the decades and fragmentation pattern is useful to determine the molar weight and structural information of the unknown molecule. Fragmentation can occur in the ion source in-source fragmentation [4] [5] where it has been used with electron ionization [4] to help identify molecules and, recently , with electrospray ionization it has been shown to provide the same benefit in facilitating molecular identification.

Archives of Organic and Inorganic Chemical Sciences

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