Qualitative analysis of Schizonepeta annua (Pall.) Schischk essential oil by gas chromatography-quadrupole time-of-flight mass spectrometry.

In this study, a method for the qualitative analysis of small molecular compounds in Schizonepeta annua (Pall.) Schischk essential oil was established based on gas chromatography-quadrupole time-of-flight mass spectrometry. In addition to an automated search of the NIST library, the identification of oxygenated monoterpenes, phenolic esters, and phenolic compounds was achieved by two additional strategies. One strategy involved comparing the relative errors of accurate masses measured for ions in the experimental spectra with those calculated for fragments identified from the NIST database of candidate matches. The second strategy involved combination of the product ion scans and positive chemical ionisation spectra for structural elucidation. Overall, 95.45% of the total essential oil volatile chemical content of Schizonepeta annua (Pall.) Schischk was identified, with phenolic monoterpenes dominating.

The Effect of Volatile Oil from Vernonia anthelmintica Seeds on Melanin Synthesis in B16 Cells and Its Chemical Analysis by GC-QTOF-MS.

Vernonia anthelmintica Willd. seeds have been used in folk medicine for the treatment of leukoderma in Xinjiang, China, for more than 300 years. The promoting activities of its volatile oil (AVO) in melanogenesis and its chemical composition were investigated in this paper. The bioactivities of AVO were examined by melanin synthesis and tyrosinase activity assay in B16 cells. Using GC-QTOF-MS technology, each compound of AVO contains a single separated peak in GC and the retention indices of every GC peak were calculated by the retention times of C7~C30 n-alkanes that were injected at the same chromatographic conditions. Then each individual peak was identified by comparing its mass spectrum with the MS library (NIST 14). As a result, AVO increased the melanin content and tyrosinase activity in a dose-dependent manner at concentrations of 10-30µg·mL-1. The 64 compounds were identified in AVO which occupied 95.15% of total peak area in GC. They mainly contained caryophyllene (23.73%), sabinene (18.15%), α-thujene (6.57%), thymol (5.29%), 4-epi-α-acoradiene (4.98%), limonene (4.92%), anethole (3.44%), etc. According to the results the AVO can promote melanogenesis and upregulate tyrosinase activity in B16 cells.