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Table 1 Overview of all the instruments and MS file types that can be handled by the database application.

From: A software application for comparing large numbers of high resolution MALDI-FTICR MS spectra demonstrated by searching candidate biomarkers for glioma blood vessel formation

Equipment

Type

File names

File content

Ultraflex ™ MALDI-TOF (Bruker Daltonics)

fid

fid, acqus, acqu

raw binary data, calibration constants

 

text

*.txt

mass and intensity peak list, space or tab separated

APEX-Q 9.4T MALDI-FTICR (Bruker Daltonics)

fid

fid, acqus, acqu

raw binary data, calibration constants

 

text

*.txt

mass and intensity peak list, space or tab separated

 

xml

exportedSpectrum.xml

<pk mz="mass1" i="intensity1"/>

Off-line LC-MALDI (TOF/TOF) (file-export WARP-LC™ software, Bruker Daltonics)

text

*.txt

mass, intensity and Retention time peak list, space or tab separated data

 

xml

*.xml

<Compound mass="mass1"

RetentionTime="retentiontime1"

AbsoluteIntensity="intensity1"> </Compound>

  1. The database application is written in Java and R and uses a MySQL™ database. The files types may consist of 1) raw binary MS spectra (the fid files), 2) exported peak lists containing tab or space separated masses and corresponding intensities, and 3) XML files.