Mass Spectrometry And Its Applications To Organic Chemistry Pdf

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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.

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Archives of Organic and Inorganic Chemical Sciences

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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. This molecular ion undergoes fragmentation. Each primary product ion derived from the molecular ion, in turn, undergoes fragmentation, and so on.

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. EISA and collision-induced dissociation CID among other physical events that impact ions are a part of gas phase ion chemistry. A few different types of mass fragmentation are collision-induced dissociation CID through collision with neutral molecule, surface-induced dissociation SID using fast moving ions collision with a solid surface, laser induced dissociation which uses laser to induce the ion formation, electron-capture dissociation ECD due to capturing of low energy electrons, electron-transfer dissociation ETD through electron transfer between ions, negative electron-transfer dissociation NETD , electron-detachment dissociation EDD , photodissociation , particularly infrared multiphoton dissociation IRMPD using IR radiation for the bombardment and blackbody infrared radiative dissociation BIRD which use IR radiation instead of laser, Higher-energy C-trap dissociation HCD , EISA, and charge remote fragmentation. Fragmentation is a type of chemical dissociation, in which the removal of the electron from the molecule results in ionization.

Fragmentation (mass spectrometry)

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. LC-MS is used most significantly in in-vitro dissolution, bio-equivalence, bioavailability and metabolite studies. Also LC-MS is used in basic research, agrochemical, forensic laboratories and food industries.

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.

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. These spectra are used to determine the elemental or isotopic signature of a sample, the masses of particles and of molecules , and to elucidate the chemical identity or structure of molecules and other chemical compounds. In a typical MS procedure, a sample, which may be solid, liquid, or gaseous, is ionized, for example by bombarding it with electrons.


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 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. Mass spectroscopy provides rich elemental information, which is an important asset to interpret complex mixture components.

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weight organic compounds into gaseous ions were. developed and their active application was started. At. the same time, traditional ionization.

Mass Spectrometry Applications Areas

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