title: A software program for more reliable precursor ion assignation from LC-MS analysis using LTQ ultra zoom scan.
abstract: We developed a software program (titled Precursor Ion Calibration software for LTQ or, in short, PICsL) that increases the reliability of precursor ion assignations from LC-MS analysis using ultra zoom scanning of LTQ linear ion trap MS and automatically corrects the assignations. Although existing software calculates the theoretical isotopic distribution according to m/z with a computational algorithm, our method simply searches for ions close to the theoretical mass value using both MS/MS raw data and Mascot search result files, followed by a second database search that identifies the proteins using the regenerated peak list files. Our software program mimics the manual inspection of the spectral data of precursor ions and is expected to be applicable not only for low resolution MS, such as LTQ, but also for a wide variety of MS instruments.
authors.affiliation: Pharmaceutical Technology Department, Chugai Pharmaceutical Co., Ltd., Kajiwara, Kamakura, Japan. shinkawatks@chugai-pharm.co.jp
authors.forename: Takashi
authors.initials: T
authors.lastname: Shinkawa
authors.forename: Kohji
authors.initials: K
authors.lastname: Nagano
authors.forename: Noriyuki
authors.initials: N
authors.lastname: Inomata
authors.forename: Masayuki
authors.initials: M
authors.lastname: Haramura
mesh_terms: D000465:Algorithms; D002853:Chromatography, Liquid; D007477:Ions / Q000032:analysis*; D007554:Isotopes / Q000032:analysis; D013058:Mass Spectrometry / Q000379:methods*; D012984:Software
chemical_list: D007477:Ions; D007554:Isotopes