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Updated: Aug 16, 2026

Deep Proteome Profiling by Isobaric Labeling, Extensive Liquid Chromatography, Mass Spectrometry, and Software-assisted Quantification
Published on: November 15, 2017
Data pre-processing in liquid chromatography-mass spectrometry-based proteomics
Xiang Zhang1, John M Asara, Jiri Adamec
1Bindley Bioscience Center, Purdue University West Lafayette, IN, USA. zhang100@purdue.edu
Motivation:
In a liquid chromatography-mass spectrometry (LC-MS)-based expressional proteomics, multiple samples from different groups are analyzed in parallel. It is necessary to develop a data mining system to perform peak quantification, peak alignment and data quality assurance.
Results:
We have developed an algorithm for spectrum deconvolution. A two-step alignment algorithm is proposed for recognizing peaks generated by the same peptide but detected in different samples. The quality of LC-MS data is evaluated using statistical tests and alignment quality tests.
Availability:
Xalign software is available upon request from the author.
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