Fragmentation Characteristics of Collision-Induced Dissociation in MALDI TOF/TOF Mass Spectrometry

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• 作者：Jainab Khatun ; Kevin Ramkissoon ; Morgan C. Giddings
• 刊名：Analytical Chemistry
• 出版年：2007
• 出版时间：April 15, 2007
• 年：2007
• 卷：79
• 期：8
• 页码：3032 - 3040
• 全文大小：300K
• 年卷期：v.79,no.8(April 15, 2007)
• ISSN：1520-6882

文摘

The identification of proteins by tandem mass spectrometry relies on knowledge of the products produced bycollision-induced dissociation of peptide ions. Most previous work has focused on fragmentation statistics for iontrap systems. We analyzed fragmentation in MALDI TOF/TOF mass spectrometry, collecting statistics using acurated set of 2459 MS/MS spectra and applying bootstrap resampling to assess confidence intervals. Wecalculated the frequency of 18 product ion types, thecorrelation between both mass and intensity with ion type,the dependence of amide bond breakage on the residuessurrounding the cleavage site, and the dependence ofproduct ion detection on residues not adjacent to thecleavage site. The most frequently observed were internalions, followed by y ions. A strong correlation between iontype and the mass and intensity of its peak was observed,with b and y ions producing the most intense and highestmass peaks. The amino acids P, W, D, and R had a strongeffect on amide bond cleavage when situated next to thebreakage site, whereas residues including I, K, and H hada strong effect on product ion observation when locatedin the peptide but not adjacent to the cleavage site, a novelobservation.