The CE-MS test files consist of two files, "CEMS_10ppm.mzML" and
"CEMS_25ppm.mzML". The data contains CE-MS runs of a standard mixture
that contains e.g. Lysine (at 10 ppm and 25 ppm, respectively) and the
neutral EOF marker Paracetamol (50 ppm). The data was acquired on a
7100 capillary electrophoresis system from Agilent Technologies, coupled
to an Agilent 6560 IM-QToF-MS. CE Separation was performed using a 80 cm
fused silica capillary with an internal diameter of 50 µm and external
diameter of 365 µm. The Background Electrolyte was 10 % acetic acid and
separation was performed at +30 kV and a constant pressure of 50 mbar.
MS detection was performed in positive ionization mode.
The raw data were then converted to the open-source .mzML format (Proteowizard). To reduce data size, the test data was subset to a retention time range from 400 to 900 seconds and an m/z range from 147.1 to 152.0.
Files:
"CEMS_10ppm.mzML"
"CEMS_25ppm.mzML"
Data location DOI:10.5281/zenodo.18481720