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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.
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 ...
As the communication of analytical results and other approach-related details such as mass spectral and RI reference information within the scientific community is becoming increasingly popular, open access platforms for information exchange, such as the GMD, are obligatory.
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 ...
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.
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]
If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]