cc-by-4.0Bortolussi, FedericaPartovi, FaribaJoona, MikkiläMatti, Rissanen2025-03-242024-06-172024-06-17https://hydatakatalogi-test-24.it.helsinki.fi/handle/123456789/9923The dataset joins the measurements output of two standard mixtures from GALAB Laboratories, containing 404 and 312 pesticides. The measurements were conducted at Karsa Oy with a thermal desorption multi-scheme chemical ionization inlet operating at atmospheric pressure, coupled to a linear trap quadrupole orbitrap mass spectrometer. The dataset contains: name of the compound CAS identifier SMILES signal of the compound with a sample analyzed at a specific concentration and with a specific ionization method. Reagent ions: bromide protonated acetone hydronium ion dioxide Sample concentrations: 10 pg/µl 20 pg/µl 100 pg/µl 1 ng/µl 2,5 ng/µl   The dataset has been analysed in the publications: Bortolussi, F., Sandström, H., Partovi, F., Mikkilä, J., Rinke, P., and Rissanen, M.: Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with pesticide standards and machine learning, Atmos. Chem. Phys., 25, 685–704, https://doi.org/10.5194/acp-25-685-2025, 2025.Opendataset