Mass Spectrometry Importance and Uses in the Crop Protection Industry J. Skopec Agrifor Scientific

Mass spectrometry is one of the most important techniques used in today modern laboratories and especially chemical industry. Mass Spectrometry is the most essential tool in the following areas: Pharmaceutical: drug discovery, combinatorial chemistry, pharmacokinetics, drug metabolism Clinical: neonatal screening, haemoglobin analysis, drug testing Environmental: PAHs, PCBs, water quality, food analysis and contamination Geological: oil composition Biotechnology: the analysis of proteins, peptides Agricultural and veterinary chemicals

2017 Overview-Worldwide market Size of Australian market: 2 billion

Cost of bringing new product to the market

Crop Protection Chemicals Food crops compete with up to 30,000 species of weeds, 3,000 species of nematodes (microscopic worms) and 10,000 species of plant-eating insects, as well as viruses, fungi, mites and mice. Insecticides Fungicides Herbicides Plant hormones Chemical growth agents Biocides Adjuvants Veterinary chemicals

2013 sector output by type of product Australian market Share (%) Adjuvants/surfactants 83.6 3.4 Fungicide 218.0 8.8 Growth promoters/regulators 38.1 1.5 Herbicide 1,301.9 52.6 Insecticide 413.1 16.7 Seed treatments 39.3 1.6 Wood preservative 48.7 2.0 Others 331.5 13.4 Total 2,474.2 100.0

Agrifor Scientific-Contract Research Organisation CRO AgriFor Scientific is a Contract Research Organisation (CRO) established in 2003 with a vision to provide service to clients wishing to register agricultural and veterinary chemicals in Australia and overseas. Unique synergy of skills and accumulated experience in multidisciplinary fields of analytical, organic and synthetic chemistry, agrichemical, forensic drugs analysis, and regulatory affairs guaranties that customer needs will be met with the highest efficiency and scientific integrity. AgriFor Scientific Pty Ltd is recognised as a GLP Test Facility compliant with the OECD Principles of Good Laboratory Practice.

Capabilities: GLP 5-Batch Studies Analysis of active (quantitation and identification) Ag/Vet chemicals impurity profile, full structure elucidation, preparation of impurity standards by extraction or synthesis Analysis of relevant (toxic) impurities QC Testing of Actives and Formulations Stability studies Head space analysis of solvents, semi-volatiles and volatiles

Capabilities (cont.): . Chiral chromatography Impurity standards certification Physical Chemical properties wide range of tests according to the OECD, US EPA OPPTS and EC guidelines Preparation of monographs Research and method development Problem solving New product development Registration and consultancy

To date: 300 + Actives 1200 + significant impurity standards 100 + relevant impurity analysis 100 + companies Office in China Global presence in all countries, especially China, US, South America, South East Asia and Europe

Techniques: HPLC with PDA, Light Scattering, Rf detectors GC-FID GC-MS (SIM, TIC) LC-MS, LC/MS-MS, MALDI, QTOF, ORBI-TRAP NMR, QNMR FTIR UV TGA Titrations KF

Mass spectrometry application in analysis of Crop protection Chemicals Most essential tool in screening, analysis and identification of active and significant impurities Quantitative analysis of relevant impurities at the trace levels Head space analysis of residual solvents and reagents Product/Formulation development

Few examples: low molecular weight compounds

More examples: Macromolecules

More examples: Relevant impurities, SIM analysis

More examples: Head space: solvents, SIM

…what we do well? …..not so well Effective communication with: Clients Government regulators, especially with APVMA Cooperation with Chinese universities Outsourced organic chemistry to Chinese laboratories …..not so well Isolated from the Government resources and scientific organisations Lack of effective communications with those bodies Lack of resources such as high cost instruments Training of staff Access to literature and new scientific developments Joint research projects