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A mass spectrum is a histogram plot of intensity vs. mass-to-charge ratio (m/z) in a chemical sample, [1] usually acquired using an instrument called a mass spectrometer. Not all mass spectra of a given substance are the same; for example, some mass spectrometers break the analyte molecules into fragments ; others observe the intact molecular ...
The mass spectrum of methylbromide has two prominent peaks of equal intensity at m/z 94 (M) and 96 (M+2) and then two more at 79 and 81 belonging to the bromine fragment. Even when compounds only contain elements with less intense isotope peaks ( carbon or oxygen ), the distribution of these peaks can be used to assign the spectrum to the ...
In mass spectrometry, fragmentation is the dissociation of energetically unstable molecular ions formed from passing the molecules mass spectrum.These reactions are well documented over the decades and fragmentation patterns are useful to determine the molar weight and structural information of unknown molecules.
When presenting data, it is common to use the (officially) dimensionless m/z, where z is the number of elementary charges (e) on the ion (z=Q/e). This quantity, although it is informally called the mass-to-charge ratio, more accurately speaking represents the ratio of the mass number and the charge number, z .
Table 1. Mass of amino acid fragment ions [4] [13] For interpretation, [14] first, look for single amino acid immonium ions (H 2 N + =CHR 2). Corresponding immonium ions for amino acids are listed in Table 1. Ignore a few peaks at the high-mass end of the spectrum. They are ions that undergo neutral molecules losses (H 2 O, NH 3, CO 2, HCOOH ...
Theoretical isotope distribution for the molecular ion of caffeine. The molecular mass (abbreviated M r) 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 (equal to 1/12 the mass of one atom of 12 C).
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A notation has been developed for indicating peptide fragments that arise from a tandem mass spectrum. [5] Peptide fragment ions are indicated by a, b, or c if the charge is retained on the N-terminus and by x, y or z if the charge is maintained on the C-terminus. The subscript indicates the number of amino acid residues in the fragment.