Characterization of a Nitrogen-Based Dielectric Barrier Discharge Ionization Source for Mass Spectrometry Reveals Factors Important for Soft Ionization

The mass spectrum were recorded either with the LTQ ion trap MS or LTQ Orbitrap MS (both from Thermo Fischer Scientific, San Jose, U.S.A.) and have a file format .raw. The files were converted to mzXML format using msconvert from the ProteoWizard tools (http://proteowizard.sourceforge.net/downloads.shtml, 2.07.2018, open access) and was processed further with Matlab (The MatWorks, license needed):

MS_measurement.m
was used for the figure 2c,d,e and f, 3,5, 6 and supplementary figure S2

The optical emission spectroscopy spectra were recorded either with Ocean Optics (USB 2000, Key Largo, Fl) or with Echelle Spectra Analyzer (ESA 3000 EV, LLA Instruments GmBH, Berlin-Adlershof, Germany). Both instruments have the file format .txt. Matlab (The MathWorks) was used to plot the optical emission spectra:

OES_Echelle_measurements.m
was used for the figure 4 and supplementary figure S4

OES_OcenOptics_measurements.m
was used for the supplementary figure S1,S3,S5 and S6


For each figure including supplementary figure a folder with the data was made.

Figure 2
b,d) 20180917_butylanthranilate_normalSampleintroduction_sineWave3_5kvpp_9_5kHz.mzXML
d,f) 20180917_butylanthranilate_normalSampleintroduction_squareWave3_5kvpp_25kHz.mzXML

Figure 3:
20180625_WCO6_2.mzXML

Figure 4:
N2squareWaveBig4kVpp11kHz3000amplific500mlMin.txt

Figure 5
top: 1_20180625_N2_low_mass.mzXML
second top:2_20180625_air_low_mass.mzXML
second bottom: 3_20180625_CO2_low_mass.mzXML
bottom: 4_20180625_N2_humidified_low_mass.mzXML

For the figure 6: 
6a) 20180614_air_plasma_diff_compounds_2.mzXML
6b-d) 20180918_benzene_DART


Supplementary Figures
SFigure 1
N2_SineWave_3_5KVppHVProbe_11kHz_103msecIntegrationtime.txt
N2_SquareWaveBig_3_5KVppHVProbe_11kHz_64msecIntegrationtime.txt

SFigure 2
1_20181001_Bzn_sine_injection1.mzXML
2_20181001_Bzn_square_injection1.mzXML
3_20181001_Bzn_sine.mzXML
4_20181001_Bzn_square.mzXML

SFigure 3
He_500mLMin_squareWavBig_4kVpp_11kHz_3msecIntegration.txt
N2_500mLMin_squareWavBig_4kVpp_11kHz_50msecIntegration.txt

SFigure 4
N2_500mlMin_sine_3_0kVppHVprobe_11kHz_3500amplific.txt
N2_500mlMin_sine_3_5kVppHVprobe_11kHz_3500amplific.txt
N2_500mlMin_sine_4_0kVppHVprobe_11kHz_3500amplific.txt
N2_500mlMin_sine_4_5kVppHVprobe_11kHz_3500amplific.txt
N2_500mlMin_sine_5_0kVppHVprobe_11kHz_3500amplific.txt

SFigure 5
N2_500mLMin_squareWavBig_4kVpp_11kHz_50msecIntegration.txt
N2humid_500mLMin_squareWavBig_4kVpp_11kHz_50msecIntegration.txt

SFigure 6
1_N2_SquareWaveBig_4kVpp_11kHz_26Integrationszeit_2_3cmlongGlassCapillary.txt
2_Luft_SquareWaveBig_4kVpp_11kHz_100Integrationszeit_2_3cmlongGlassCapillary.txt
3_CO2_SquareWaveBig_4kVpp_11kHz_4secIntegrationszeit_2_3cmlongGlassCapillary.txt