Diacylglycerols ions as novel marker indicators for the classification of edible oils using ultrahigh resolution mass spectrometry.

Diacylglycerols (DAGs) ions, instead of triacylglycerols (TAGs) ions, were established as marker indicators for an improved classification of edible oils using ultrahigh resolution mass spectrometry (UHRMS). DAGs ions can be used not only to identify triacylglycerols (TAGs) and their embedded fatty acids (FAs), but also to distinguish positional isomers of TAGs. In this work, DAGs ions were determined in edible oils by direct infusion atmospheric pressure chemical ionization-ultrahigh resolution mass spectrometry (APCI-UHRMS), where the ultrahigh resolving power up to 500,000 FWHM (full width at half maximum) can provide accurate molecular compositions and detailed fingerprints MS spectra in a minute. A total of 146 samples belonging to 22 species of plant oils and animal fats, were characterized. Chemometric analyses were performed using principal component analysis, partial least square-discriminant analysis and orthogonal partial least squares-discriminant analysis. DAGs ions were proved to be better than TAGs ions as marker indicators in the chemometric analyses. An overall correct rate of 93.40% was achieved for the classification of tested samples. In addition, blend oils and gutter oils were also characterized by this developed method.

Rapid characterization and pharmacokinetic study of aristolochic acid analogues using ion mobility mass spectrometry.

Aristolochic acid analogues (AAAs), naturally existing in herbal Aristolochia and Asarum genera, were once widely used in traditional pharmacopeias because of their anti-inflammatory properties, but lately they were identified as potential nephrotoxins and mutagens. A method for rapid characterization of AAAs in serum was developed using ion mobility spectrometry coupled with mass spectrometry (IMS-MS). Five AAAs, containing four aristolochic acids and one aristolactam, were separated and identified within milliseconds. AAAs were separated in gas phase based on the difference of their ion mobility (K0), and then identified based on their K0 values, m/z, and product ions from MS/MS. Quantitative analysis of AAAs was performed using an internal standard with a satisfactory sensitivity. Limits of detection (signal-to-noise = 3) and quantification (signal-to-noise = 10) were 1-5 ng/mL and 3-8 ng/mL, respectively. The method was validated and successfully applied to the pharmacokinetics study of AAAs in rats, offering a promising way for fast screening and evaluation of AAAs in biological samples.