A software program for more reliable precursor ion assignation from LC-MS analysis using LTQ ultra zoom scan
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Updated: Jun 20, 2026

Liquid Chromatography Coupled to Refractive Index or Mass Spectrometric Detection for Metabolite Profiling in Lysate-based Cell-free Systems
Published on: September 23, 2021
Takashi Shinkawa1, Kohji Nagano, Noriyuki Inomata
1Pharmaceutical Technology Department, Chugai Pharmaceutical Co., Ltd., Kajiwara, Kamakura, Japan. shinkawatks@chugai-pharm.co.jp
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.
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