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The monoisotopic mass is very useful when analyzing small organic compounds since compounds with similar weights will not be differentiated if the nominal mass is used. For example, when comparing tyrosine which has a molecular structure of C 9 H 11 NO 3 with a monoisotopic mass of 182.081 Da and methionine sulphone C 5 H 11 NO 4 S which ...
The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element. [12] [5] The monoisotopic mass of a molecule or ion is the exact mass obtained using the principal isotopes. Monoisotopic mass is typically expressed in daltons.
In mass spectrometry, the molecular mass of a small molecule is usually reported as the monoisotopic mass: that is, the mass of the molecule containing only the most common isotope of each element. This also differs subtly from the molecular mass in that the choice of isotopes is defined and thus is a single specific molecular mass out of the ...
TopFD (Top-down mass spectral Feature Detection) is a software tool for top-down spectral deconvolution and a successor to MS-Deconv. It groups top-down spectral peaks into isotopomer envelopes and converts them to monoisotopic neutral masses. In addition, it extracts proteoform features from LC-MS or CE-MS data. Trans-Proteomic Pipeline (TPP)
SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra.
Mass spectrometry (MS) is an analytical technique that is used to measure the mass-to-charge ratio of ions. The results are 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.
Poison Profits. A HuffPost / WNYC investigation into lead contamination in New York City
Monoisotopic mass is the sum of the masses of the atoms in a molecule using the most abundant isotope for each element; Monoisotopic element is one of the 26 chemical ...