Extracting and visualizing matrix-assisted laser desorption/ionization time-of-flight mass spectral fingerprints

K H Jarman; D S Daly; C E Petersen; A J Saenz; N B Valentine; K L Wahl

doi:10.1002/(SICI)1097-0231(19990815)13:15<1586::AID-RCM680>3.0.CO;2-2

Extracting and visualizing matrix-assisted laser desorption/ionization time-of-flight mass spectral fingerprints

Rapid Commun Mass Spectrom. 1999;13(15):1586-94. doi: 10.1002/(SICI)1097-0231(19990815)13:15<1586::AID-RCM680>3.0.CO;2-2.

Authors

K H Jarman¹, D S Daly, C E Petersen, A J Saenz, N B Valentine, K L Wahl

Affiliation

¹ Pacific Northwest National Laboratory, Richland, WA 99352, USA.

Abstract

We have developed a method for constructing and extracting matrix-assisted laser desorption/ionization (MALDI) fingerprints. This method is fully automated and statistically based, allowing a large number of spectra to be analyzed at a time in an objective manner. This method can be used to extract the fingerprint of a particular analyte from a spectrum containing multiple analytes. Therefore, this method lends itself well to real-world applications where samples to be analyzed are likely to be impure. We illustrate this method on experimental results from a series of studies of E. coli and B. atrophaeus MALDI time-of-flight mass spectrometry (TOFMS) fingerprints.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

Bacillus / chemistry
Bacteria / chemistry*
Escherichia coli / chemistry
Reproducibility of Results
Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / methods*
Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / statistics & numerical data