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Shimadzu Develops a New Software Tool for Open Access High Mass Accuracy MS/MSn Data Processing to Automate Impurity Analysis

Shimadzu has developed Component ID Solution software for automating impurity analysis using high resolution, high mass accuracy LC/MS/MSn data generated on a LCMS-IT-TOF system in an Open Access environment. Chemists can simply walk up to a LCMS-IT-TOF and submit a sample. Component ID Solution software then automates peak detection, peak correlation (UV/PDA/MS), sophisticated component identification routines using formula prediction software and data reporting.

The software is designed to fully automate impurity analysis generating empirical formula for each detected component with the help of Formula Prediction software. Using information-rich MSn data, Formula Predictor software takes advantage of multiple levels of fragmentation, isotope pattern verification, and unique fragment-ion filtering techniques to accurately determine the correct formula for unknown components.

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