Extracting and visualizing matrix-assisted laser desorption/ionization time-of-flight mass spectral fingerprints.
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.
Pacific Northwest National Laboratory, Richland, WA 99352, USA.
K H
KH
Jarman
D S
DS
Daly
C E
CE
Petersen
A J
AJ
Saenz
N B
NB
Valentine
K L
KL
Wahl
D001407:Bacillus / Q000737:chemistry; D001419:Bacteria / Q000737:chemistry*; D004926:Escherichia coli / Q000737:chemistry; D015203:Reproducibility of Results; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization / Q000379:methods* / Q000706:statistics & numerical data