Fast interpretation of complex LC/MS data using chemometrics

Electrospray liquid chromatography/mass spectrometry (LC/MS) is a powerful analytical tool, increasingly used at Eastman Kodak Company. Due to high no ise in the resulting data, it can take up to 4 h for an experienced analyst to extract the proper information. This report describes recent developmen ts around component detection algorithm (CODA), which extracts the same inf ormation from the data in seconds. In addition to enhancements in CODA,, a new approach will be described to compare LC/MS data of highly related samp les, such as different batches of the same material. The new approach, call ed COMPARELCMS, displays only the chromatographic data that shows differenc es between the samples. These programs significantly increase the productiv ity in the LC/MS area and enable the use of walk-up LC/MS. (C) 2001 Elsevie r Science B.V. All rights reserved.