前言：

　　Orange oil is widely used for its fragrance and flavoring in consumer products such as cosmetics, medications, and processed foods. In addition, as consumers demand more environmentally friendly cleaning options, orange oil is used increasingly in household cleaning products. Orange oil is derived from the outermost part of the orange; therefore, pesticide contamination is a concern.

　　Ginseng, an herb used to stimulate the adrenal gland and increase energy, has been used in various systems of medicine for centuries. The root of the ginseng plant contains active chemical components called ginsenosides, which are believed to be responsible for the medicinal properties of the herb. Therefore, the root is commonly dried and made into tablets, extracts, and teas to be taken internally or made into creams for external use. Pesticide contamination in these products is also a concern because the ginseng plant may carry residuals of environmentally persistent pesticides.

　　Analyzing orange oil and ginseng for pesticides is challenging in part because of the extensive exporting and importing of produce. Pesticides that are approved in one country may be banned in another, and approved pesticides may have different restrictions on the permissible levels of exposure.

　　Thermo Scientific TraceFinder, a software program with built-in workflows, has been developed to assist routine analysis in environmental and food residue applications. It includes a methods database pre-loaded with the appropriate m/z and optimized parameters of contaminants commonly encountered in environmental and food samples, which can be ustomized by the user to include unique compounds. An LC-MS/MS library of commonly found contaminants, organized in National Institute of Standards and Technology (NIST) format, helps to confirm the compounds being analyzed. Data collection, analysis, and report generation can be performed using the same software program. To demonstrate the software capabilities, a mixture of 250 pesticides spiked into orange oil samples and ginseng extract samples were analyzed using both negative and positive ionization modes on a Thermo Scientific TSQ Vantage Extended Mass Range (EMR) mass spectrometer.

仪器：

Thermo Scientific TSQ Quantum mass spectrometer

结论：

　　A new software package, TraceFinder, with an extensive menu of preconfigured methods and report formats, was used to simplify method development for the screening of 250 pesticides in orange oil and ginseng extract. The results from this experiment show positive confirmation of approximately 220 pesticides in orange oil and 250 pesticides in ginseng extract based on the tolerances set in the method for quantitation and confirmation. The method development capabilities and Compound Datastore of TraceFinder software allowed for the quick creation of a method for the analysis of these compounds. In addition, the ability to flag problematic samples in the data review section helped to reduce the overall analysis time by filtering out samples that did not meet predefined criteria.