This paper reports a novel approach to screening multi-class pesticides by ion mobility time-of-flight mass spectrometry detection. Nitrogen was selected as mobility gas. After optimization of the different ion mobility parameters, determination of matrix effect on the drift times was conducted using different matrix extracts. The results showed that drift time values are not influenced by the matrix and also are independent of the concentration within the working range for 100 pesticides tested, making drift time a powerful additional identification tool. Based on statistics, 2% variation criteria provides a good fit for all the pesticides targeted, and could be considered as a maximum acceptable criteria associated with the drift time parameter for identification purpose. This 2% value is in agreement with already reported criteria, for instance, for GC or LC retention time in European documents. Finally, the well-known feature of mobility to separate complex mixtures was also tested to obtain purified extracted mass spectra of pesticides present in fruit extract.
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http://dx.doi.org/10.1016/j.chroma.2015.05.057 | DOI Listing |
Food Chem X
December 2024
School of Pharmacy, Naval Medical University, Shanghai 200433, China.
With the rising demand of saffron, it is essential to standardize the confirmation of its origin and identify any adulteration to maintain a good quality led market product. However, a rapid and reliable strategy for identifying the adulteration saffron is still lacks. Herein, a combination of headspace-gas chromatography-ion mobility spectrometry (HS-GC-IMS) and convolutional neural network (CNN) was developed.
View Article and Find Full Text PDFJ Pharm Anal
October 2024
National Key Laboratory of Chinese Medicine Modernization, State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, 301617, China.
Identifying the compound formulae-related xenobiotics in bio-samples is full of challenges. Conventional strategies always exhibit the insufficiencies in overall coverage, analytical efficiency, and degree of automation, and the results highly rely on the personal knowledge and experience. The goal of this work was to establish a software-aided approach, by integrating ultra-high performance liquid chromatography/ion-mobility quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) and in-house high-definition MS library, to enhance the identification of prototypes and metabolites of the compound formulae , taking Sishen formula (SSF) as a template.
View Article and Find Full Text PDFFood Chem X
January 2025
College of Enology, Northwest A & F University, No. 22 Xinong Road, Yangling 712100, China.
To investigate the impact of genetic factors on wine aroma, wines made from 22 clones of five grape varieties ( L.) were used to analyze the volatile compounds by headspace solid phase microextraction gas chromatography mass spectrometer (HS-SPME-GC-MS) and headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS). Results showed that 52 and 49 aroma compounds were identified from 22 clones of wines by two technologies, respectively.
View Article and Find Full Text PDFFood Chem X
January 2025
Collage of Food Science and Technology, Hebei Agricultural University, Baoding, China.
The properties, applications, and in vitro bioactivities of turmeric, turmeric essential oil (TEO), and turmeric essential oil by-products (TEO-BP) were evaluated using sensory analysis, gas chromatography-mass spectrometry (GC-MS), gas chromatography-ion mobility spectrometry (GC-IMS), and electronic nose techniques. A total of 62 and 66 volatile organic compounds (VOCs), primarily terpenoids and sesquiterpenoids, were identified by GC-MS and GC-IMS, respectively. Distillation temperature, particularly at 90 °C, significantly influenced the color and organoleptic properties of TEO, with variations in VOC profiles driving these differences.
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