Organic pesticide database with 716 molecules analyzed with chemical ionization mass spectrometry. Reagent ions: bromide, protonated acetone, hydronium ion, dioxide.

No Thumbnail Available

Restricted Availability

Date

2024-06-17, 2024-06-17

Persistent identifier of the Data Catalogue metadata

Editor

Journal title

Journal volume

Publisher

Publication Type

dataset
dataset

Peer Review Status

Repositories

Access rights

Open

ISBN

ISSN

Description

The 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.

Keyword (yso)

Keyword

Publication Series

Journal title

Location of the original dataset