Mass Spectral Interpretation
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Mass Spectral Interpretation
Mass spectral interpretation is the method employed to identify the chemical formula, characteristic fragment patterns and possible fragment ions from the mass spectra. Mass spectra is a plot of relative abundance against mass-to-charge ratio. It is commonly used for the identification of organic compounds from electron ionization mass spectrometry. Organic chemists obtain mass spectra of chemical compounds as part of structure elucidation and the analysis is part of many organic chemistry curricula. Mass spectra generation Electron ionization (EI) is a type of mass spectrometer ion source in which a beam of electrons interacts with a gas phase molecule M to form an ion according to :M + e^- \to M^ + 2e^- with a molecular ion M^. The superscript "+" indicates the ion charge and the superscript "•" indicates an unpaired electron of the radical ion. The energy of the electron beam is typically 70 electronvolts and the ionization process typically produces extensive fragmentat ...
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Mass Spectrum Brassicasterol
Mass is an intrinsic property of a body. It was traditionally believed to be related to the quantity of matter in a physical body, until the discovery of the atom and particle physics. It was found that different atoms and different elementary particles, theoretically with the same amount of matter, have nonetheless different masses. Mass in modern physics has multiple definitions which are conceptually distinct, but physically equivalent. Mass can be experimentally defined as a measure of the body's inertia, meaning the resistance to acceleration (change of velocity) when a net force is applied. The object's mass also determines the Force, strength of its gravitational attraction to other bodies. The SI base unit of mass is the kilogram (kg). In physics, mass is Mass versus weight, not the same as weight, even though mass is often determined by measuring the object's weight using a spring scale, rather than Weighing scale#Balance scales, balance scale comparing it directly wi ...
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Nitrogen Rule
The nitrogen rule states that organic compounds containing exclusively hydrogen, carbon, nitrogen, oxygen, silicon, phosphorus, sulfur, and the halogens either have (1) an ''odd nominal mass'' that indicates an ''odd number'' of nitrogen atoms are present or (2) an ''even nominal mass'' that indicates an ''even number'' of nitrogen atoms in the molecular formula of the neutral compound. The nitrogen rule is not a rule as much as a general principle which may prove useful when attempting to solve organic mass spectrometry structures. Formulation of the rule This rule is derived from the fact that, perhaps coincidentally, for the most common chemical elements in neutral organic compounds (hydrogen, carbon, nitrogen, oxygen, silicon, phosphorus, sulfur, and the halogens), elements with even numbered nominal masses form even numbers of covalent bonds, while elements with odd numbered nominal masses form odd numbers of covalent bonds, with the exception of nitrogen, which has a nominal ( ...
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Chemical Formula
In chemistry, a chemical formula is a way of presenting information about the chemical proportions of atoms that constitute a particular chemical compound or molecule, using chemical element symbols, numbers, and sometimes also other symbols, such as parentheses, dashes, brackets, commas and ''plus'' (+) and ''minus'' (−) signs. These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a chemical name, and it contains no words. Although a chemical formula may imply certain simple chemical structures, it is not the same as a full chemical structural formula. Chemical formulae can fully specify the structure of only the simplest of molecules and chemical substances, and are generally more limited in power than chemical names and structural formulae. The simplest types of chemical formulae are called '' empirical formulae'', which use letters and numbers indicating the numerical ''proportions'' of ato ...
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Pi Bond
In chemistry, pi bonds (π bonds) are covalent chemical bonds, in each of which two lobes of an orbital on one atom overlap with two lobes of an orbital on another atom, and in which this overlap occurs laterally. Each of these atomic orbitals has an electron density of zero at a shared nodal plane that passes through the two bonded nuclei. This plane also is a nodal plane for the molecular orbital of the pi bond. Pi bonds can form in double and triple bonds but do not form in single bonds in most cases. The Greek letter π in their name refers to p orbitals, since the orbital symmetry of the pi bond is the same as that of the p orbital when seen down the bond axis. One common form of this sort of bonding involves p orbitals themselves, though d orbitals also engage in pi bonding. This latter mode forms part of the basis for metal-metal multiple bonding. Pi bonds are usually weaker than sigma bonds. The C-C double bond, composed of one sigma and one pi bond, ha ...
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Sigma Bond
In chemistry, sigma bonds (σ bonds) are the strongest type of covalent chemical bond. They are formed by head-on overlapping between atomic orbitals. Sigma bonding is most simply defined for diatomic molecules using the language and tools of symmetry groups. In this formal approach, a σ-bond is symmetrical with respect to rotation about the bond axis. By this definition, common forms of sigma bonds are s+s, pz+pz, s+pz and dz2+dz2 (where z is defined as the axis of the bond or the internuclear axis). Quantum theory also indicates that molecular orbitals (MO) of identical symmetry actually mix or ''hybridize''. As a practical consequence of this mixing of diatomic molecules, the wavefunctions s+s and pz+pz molecular orbitals become blended. The extent of this mixing (or hybridization or blending) depends on the relative energies of the MOs of like symmetry. For homodiatomics ( homonuclear diatomic molecules), bonding σ orbitals have no nodal planes at which the wavefunc ...
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Atom
Every atom is composed of a nucleus and one or more electrons bound to the nucleus. The nucleus is made of one or more protons and a number of neutrons. Only the most common variety of hydrogen has no neutrons. Every solid, liquid, gas, and plasma is composed of neutral or ionized atoms. Atoms are extremely small, typically around 100  picometers across. They are so small that accurately predicting their behavior using classical physics, as if they were tennis balls for example, is not possible due to quantum effects. More than 99.94% of an atom's mass is in the nucleus. The protons have a positive electric charge, the electrons have a negative electric charge, and the neutrons have no electric charge. If the number of protons and electrons are equal, then the atom is electrically neutral. If an atom has more or fewer electrons than protons, then it has an overall negative or positive charge, respectively – such atoms are called ions. The electrons of an at ...
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Mass (mass Spectrometry)
The mass recorded by a mass spectrometer can refer to different physical quantities depending on the characteristics of the instrument and the manner in which the mass spectrum is displayed. Units The dalton (symbol: Da) is the standard unit that is used for indicating mass on an atomic or molecular scale (atomic mass).Bureau International des Poids et Mesures (2019): The International System of Units (SI)', 9th edition, English version, page 134. Available at thBIPM website The unified atomic mass unit (symbol: u) is equivalent to the dalton. One dalton is approximately the mass of one a single proton or neutron. The unified atomic mass unit has a value of . The ''amu'' without the "unified" prefix is an obsolete unit based on oxygen, which was replaced in 1961. Molecular mass The molecular mass (abbreviated Mr) of a substance, formerly also called molecular weight and abbreviated as MW, is the mass of one molecule of that substance, relative to the unified atomic mass unit u ...
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