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Mass (mass spectrometry)
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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.
The dalton (symbol: Da) is the standard unit that is used for indicating mass on an atomic or molecular scale (atomic mass). The unified atomic mass unit (symbol: u) is equivalent to the dalton. One dalton is one-twelfth of the mass of one atom of carbon-12, and is 1.66053906892(52)×10−27 kg. The amu without the "unified" prefix is an obsolete unit based on oxygen, which was replaced in 1961.
The relative molecular mass (denoted 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 dalton (Da), which is equal to 1/12 the mass of one atom of 12C. Due to this relativity, the molecular mass of a substance is commonly referred to as the relative molecular mass, and denoted to Mr.
The average mass of a molecule is obtained by summing the average atomic masses of the constituent elements. For example, the average mass of natural water with formula H2O is 1.00794 + 1.00794 + 15.9994 = 18.01528 Da.
The mass number, also called the nucleon number, is the number of protons and neutrons in an atomic nucleus. The mass number is unique for each isotope of an element and is written either after the element name or as a superscript to the left of an element's symbol. For example, carbon-12 (12C) has 6 protons and 6 neutrons.
The nominal mass for an element is the mass number of its most abundant naturally occurring stable isotope, and for an ion or molecule, the nominal mass is the sum of the nominal masses of the constituent atoms. Isotope abundances are tabulated by IUPAC: for example carbon has two stable isotopes 12C at 98.9% natural abundance and 13C at 1.1% natural abundance, thus the nominal mass of carbon is 12. The nominal mass is not always the lowest mass number, for example iron has isotopes 54Fe, 56Fe, 57Fe, and 58Fe with abundances 6%, 92%, 2%, and 0.3%, respectively, and a nominal mass of 56 Da. For a molecule, the nominal mass is obtained by summing the nominal masses of the constituent elements, for example water has two hydrogen atoms with nominal mass 1 Da and one oxygen atom with nominal mass 16 Da, therefore the nominal mass of H2O is 18 Da.
In mass spectrometry, the difference between the nominal mass and the monoisotopic mass is the mass defect. This differs from the definition of mass defect used in physics which is the difference between the mass of a composite particle and the sum of the masses of its constituent parts.
The accurate mass (more appropriately, the measured accurate mass) is an experimentally determined mass that allows the elemental composition to be determined. For molecules with mass below 200 Da, 5 ppm accuracy is often sufficient to uniquely determine the elemental composition.
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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.
The dalton (symbol: Da) is the standard unit that is used for indicating mass on an atomic or molecular scale (atomic mass). The unified atomic mass unit (symbol: u) is equivalent to the dalton. One dalton is one-twelfth of the mass of one atom of carbon-12, and is 1.66053906892(52)×10−27 kg. The amu without the "unified" prefix is an obsolete unit based on oxygen, which was replaced in 1961.
The relative molecular mass (denoted 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 dalton (Da), which is equal to 1/12 the mass of one atom of 12C. Due to this relativity, the molecular mass of a substance is commonly referred to as the relative molecular mass, and denoted to Mr.
The average mass of a molecule is obtained by summing the average atomic masses of the constituent elements. For example, the average mass of natural water with formula H2O is 1.00794 + 1.00794 + 15.9994 = 18.01528 Da.
The mass number, also called the nucleon number, is the number of protons and neutrons in an atomic nucleus. The mass number is unique for each isotope of an element and is written either after the element name or as a superscript to the left of an element's symbol. For example, carbon-12 (12C) has 6 protons and 6 neutrons.
The nominal mass for an element is the mass number of its most abundant naturally occurring stable isotope, and for an ion or molecule, the nominal mass is the sum of the nominal masses of the constituent atoms. Isotope abundances are tabulated by IUPAC: for example carbon has two stable isotopes 12C at 98.9% natural abundance and 13C at 1.1% natural abundance, thus the nominal mass of carbon is 12. The nominal mass is not always the lowest mass number, for example iron has isotopes 54Fe, 56Fe, 57Fe, and 58Fe with abundances 6%, 92%, 2%, and 0.3%, respectively, and a nominal mass of 56 Da. For a molecule, the nominal mass is obtained by summing the nominal masses of the constituent elements, for example water has two hydrogen atoms with nominal mass 1 Da and one oxygen atom with nominal mass 16 Da, therefore the nominal mass of H2O is 18 Da.
In mass spectrometry, the difference between the nominal mass and the monoisotopic mass is the mass defect. This differs from the definition of mass defect used in physics which is the difference between the mass of a composite particle and the sum of the masses of its constituent parts.
The accurate mass (more appropriately, the measured accurate mass) is an experimentally determined mass that allows the elemental composition to be determined. For molecules with mass below 200 Da, 5 ppm accuracy is often sufficient to uniquely determine the elemental composition.
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