直接注射-多级质谱全扫描法快速分析枸杞子化学成分组

由于色谱分离需要耗费大量的时间，导致传统LC-MS研究中药成分的分析通量较低，而多级质谱全扫描（MS/MSALL）采用了气态分段技术（GPF），可以在直接注射（DI）模式下，采集每个表观质量数MS1信号的MS2图谱，实现MS1-MS2数据列表的高通量构建。为快速表征枸杞子化学成分组，本研究采用DI-MS/MSALL全面采集枸杞子提取物中各化学成分的多级质谱数据，根据高分辨MS1和MS2碎片离子信息推导质谱裂解途径，结合数据库检索以及相关文献，从枸杞子中初步鉴定了38个化学成分，包括1个氨基酸类、19个有机酸类、2个糖脂类、6个苯丙素类、1个黄酮类、6个生物碱类以及3个酰胺类化合物。DI-MS/MSALL可作为中药等复杂体系快速全面定性分析的有力工具。

Rapid Analysis of Chemome Characterization of Lycii Fructus Using DI-MS/MSALL

Traditional Chinese medicines (TCMs) have played a key role to maintain health for Chinese people for thousands of years, and the chemical compositions should be responsible for the pronounced therapeutical benefits. It is thereby of great importance to analyze the chemical compositions of TCMs. Liquid chromatography coupled with tandem mass spectrometry is widely used for the chemical profiling of TCMs. However, chromatographic separations have been complained as a time-consuming course, thus dampening high-throughput measurement. Fortunately, attributing to the assistance of gas phase fractionation technique, MS/MSALL owns a unique ability namely mass spectrometric separation via enabling MS1 ion cohort sequentially entering the collision cell and acquiring MS2 spectrum for each 1 u mass bin. Lycii Fructus is one of the most famous edible herbal medicines and featured with the tonic benefits towards liver, kidney, and eye as well. It is necessary to pursue a rapid method to characterize the chemical profiles. Herein, Lycii Fructus was employed as a representative case to illustrate and validate the applicability of direct injection coupled tandem mass spectrometry full scan (DI-MS/MSALL) towards rapid chemome characterization of TCM. First, Lycii Fructus extract was directly imported into electrospray ionization source of quadrupole time-of-flight mass spectrometer with an infusion pump at a flow rate of 10 μL/min. Then, MS/MSALL was programmed for multi-stage spectral measurements under positive and negative ionization modes. MS1 spectrum was recorded in the range of m/z 50-1 000, and MS2 spectrum was acquired for each mass window with 1 u width from m/z 50 to m/z 1 000. After assigning each MS2 spectra to its precursor ion, the MS1-MS2 dataset was constructed, and extensive attention was subsequently paid onto MS/MS spectral interpretation. Following database retrieval and reference data, a total of 38 components were tentatively identified from Lycii Fructus extract, including one amino acid, nineteen organic acids, two glycolipids, six phenylpropanoids, one flavonoid, six alkaloids as well as three amides. Above all, DI-MS/MSALL is an eligible analytical tool for rapid and in-depth chemome characterization of traditional Chinese medicine as well as some other complicated matrices.