CE-MS test data set

The CE-MS test file data set 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 an open-source ".mzML" format (Proteowizzard). To reduce data size, the test data was subsequently subset to a retention time range of 400 to 900 seconds and an m/z range from 147.1 to 152.0.