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  2. Mass spectrum - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrum

    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 ...

  3. Mass spectral interpretation - Wikipedia

    en.wikipedia.org/wiki/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. [1] [2] 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 ...

  4. Mass spectrometry - Wikipedia

    en.wikipedia.org/wiki/Mass_spectrometry

    Ion mobility spectrometry-mass spectrometry (IMS/MS or IMMS) is a technique where ions are first separated by drift time through some neutral gas under an applied electrical potential gradient before being introduced into a mass spectrometer. [43] Drift time is a measure of the collisional cross section relative to the charge of the ion.

  5. List of mass spectrometry software - Wikipedia

    en.wikipedia.org/wiki/List_of_mass_spectrometry...

    The Open Mass Spectrometry Search Algorithm (OMSSA) is a search engine for identifying MS/MS peptide spectra by searching libraries of known protein sequences. OMSSA identifies significant hits with a probability score developed using classical hypothesis testing, the same statistical method used in BLAST.

  6. SIRIUS (software) - Wikipedia

    en.wikipedia.org/wiki/SIRIUS_(software)

    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.

  7. De novo peptide sequencing - Wikipedia

    en.wikipedia.org/wiki/De_novo_peptide_sequencing

    Find mass differences at 28 Da since b-ions can form a-ions by loss of CO. Look for b 2-ions at low-mass end of the spectrum, which helps to identify y n-2-ions too. Mass of b 2-ions are listed in Table 2, as well as single amino acids that have equal mass to b 2-ions. [15] The mass of b 2-ion = mass of two amino acid residues + 1. Table 2.

  8. Mass (mass spectrometry) - Wikipedia

    en.wikipedia.org/wiki/Mass_(mass_spectrometry)

    The Kendrick mass is used to aid in the identification of molecules of similar chemical structure from peaks in mass spectra. [16] [17] The method of stating mass was suggested in 1963 by the chemist Edward Kendrick. According to the procedure outlined by Kendrick, the mass of CH 2 is defined as 14.000 Da, instead of 14.01565 Da. [18] [19]

  9. Mascot (software) - Wikipedia

    en.wikipedia.org/wiki/Mascot_(software)

    Mascot is a software search engine that uses mass spectrometry data to identify proteins from peptide sequence databases. [1] [2] Mascot is widely used by research facilities around the world. Mascot uses a probabilistic scoring algorithm for protein identification that was adapted from the MOWSE algorithm.