The combination of high performance liquid chromatography (HPLC) with orbitrap mass spectrometry was used as a new characterization strategy for non-targeted identification of nitro-PAHs and nitro compounds in standard diesel particulate matter. In the positive and negative ionization modes of atomospheric pressure chemiscal ionization (APCI), mass spectral data were acquired with high mass accuracy (&lt;1 ppm). The polymeric reversed phase column allowed separation of isomers for each nitro compound mass which then allowed successful data-dependent tandem MS/MS experiments. The deconvolution software MZmine allowed quick processing and exclusion of the blank m/z values for the chromatogram constituents. The chromatographic and mass spectrometric characterization of the 23 nitro model compounds allowed better understanding of the behaviour of unknown nitro compounds masses in the standard soot sample. The Pubchem database was an asset to define the class(s) and the possible chemical structures. The characterization of standard soot sample revealed around 105 masses in addition to their isomers, all of which are related to nitro compounds. The developed method was specific and selective. Therefore, the limited nitro compounds reported in the latest certificate of analysis were identified or tentatively identified except 1,3-, 1,6-dinitropyrene. Skimming through the identified and tentatively identified masses, we could see the various classes of nitro compounds and their isomers.

Characterization of nitro-substituted polycyclic aromatic hydrocarbons from standard diesel particulate matter using liquid chromatography orbitrap mass spectrometry

253rd National Meeting (2017)

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