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Allan, J. D. et al. A generalised method for the extraction of chemically resolved mass spectra from aerodyne aerosol mass spectrometer data.
(1) Validation of the ACTIVE mass spectrometer data by comparing it with newly processed results of measurements made on board the same spacecraft.
The current version of the IRI model for the ion composition and the electron (total ion) density above 500 km is compared with the Bennett ion mass spectrometer data measured in the frame of the ACTIVE mission (maximum of the solar cycle 22).
As a result, scientists working in lipidomics often like to export their raw mass spectrometer data to outlets such as the European Molecular Biology Laboratory's MetaboLights database or Iowa State University's Plant/Eukaryotic and Microbial Systems Resource.
This result fits well with the TGA data of ZrOPc/KB which clearly show that at 350 and 500 °C the phthalocyanine macrocycle degradation was incomplete with some organic residues remaining which might hinder oxidation of the metal center (see mass spectrometer data in Fig. 3).
These results were further confirmed using a MALDI TOF mass spectrometer (data not shown).
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As peptides elute into the mass spectrometer data-dependent data was performed.
MassHunter® Workstation Software (B.04.00) was used to carry out mass spectrometer control, data acquisition, and data analysis.
The mass spectrometer collected data in a data-dependent fashion, collecting one full scan in the Orbitrap at 120,000 resolution followed by 20 collision-induced dissociation MS/MS scans in the dual linear ion trap for the 20 most intense peaks from the full scan.
Mass spectrometer RAW data files were converted to MGF format using msconvert (https://doi.org/10.1038/nbt.2377).org/10.1038/nbt.2377
Degradation pathway for the RhB removal was proposed from gas chromatography mass spectrometer (GC/MS) data.
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