UPLC-MS/MS Identification and Quantification of Withanolides from Six Parts of the Medicinal Plant Datura Metel L.

Abstract

Withanolides from six parts (flower, leaf, stem, root, seed, and peel) of Datura metel L. (D metel L.) obtained from ten production areas in China were identified and quantified by UPLC-MS/MS. A total of 85 withanolides were characterized for the first time using the UPLC-Q-TOF-MS/MS system. Additionally, a simultaneous, rapid and accurate measurement method was developed for the determination of 22 bioactive withanolides from ten production areas with the UPLC-Q-TRAP-MS/MS system. The results show the total withanolide content is highest in the leaves (155640.0 ng/g) and lowest in the roots (14839.8 ng/g). Compared with other production areas, the total content of plants from Dujiangyan was the highest at 82013.9 ng/g (value range of ten areas: 82013.9–42278.5 ng/g). The results also show significant differences in the distribution of withanolides in the different plant parts, as well as across different production areas. This is a breakthrough report providing a simultaneous qualitative and quantitative analysis of 22 withanolides in D. metel L. It could be the basis for the more rational use of various parts of D. metel L., and the expansion of medicinal resources. This work also lays a solid foundation for research on the quality control of D. metel L.

QTOF-ESI MS Characterization and Antioxidant Activity of Physalis peruviana L. (Cape Gooseberry) Husks and Fruits from Costa Rica

“…Peaks Another type of withanolide E was present in peak 4 (Rt = 14 m/z 543.2612 (C30H39O9), which was tentatively assigned to th Physagulin O [32] (Figure 8), with fragments at m/z 483 due to group (−60 Da) and m/z 359 from the loss of lactone (124 Da). Finally, peaks 23 (Rt = 22.51 min) and 30 (Rt = 23.66 mi 661.3590 (C36H53O11), and peak 57 (Rt = 39.17 min), with [ (C35H53O11), were tentatively assigned to previously described glucopyranoside isomers [32] and Daturafosilide B [40], with a com Finally, peaks 23 (Rt = 22.51 min) and 30 (Rt = 23.66 mi 661.3590 (C36H53O11), and peak 57 (Rt = 39.17 min), with [ (C35H53O11), were tentatively assigned to previously described glucopyranoside isomers [32] and Daturafosilide B [40], with a com tern due to the loss of glucose-yielding fragments at m/z 481 and respectively, and the loss of their lactone moieties (−124 and −140 at m/z 357 and m/z 329, respectively (Figure 10).…”

Metabonomics Analysis of Stem Extracts from Dalbergia sissoo

“…Chromatographic separation of the metabolites was performed on a ExionLCTMAD system (AB Sciex, Milford, MA, USA) equipped with an ACQUITY UPLC BEH C18 column (100 mm × 2.1 mm i.d., 1.7 µm; Waters, Milford, MA, USA). The experimental conditions were set up in accordance with Yang [ 53 ]. The mobile phases consisted of 0.1% formic acid in water (solvent A) and 0.1% formic acid in acetonitrile:isopropanol (1:1, v / v ) (solvent B).…”

“…The UPLC system was coupled to a quadrupole time-of-flight mass spectrometer (Triple TOFTM5600+, AB Sciex, Milford, MA, USA) equipped with an electrospray ionization (ESI) source operating in positive mode and negative mode. The following parameters were set in accordance with Yang [ 53 ]: Source temperature, 500 °C; curtain gas (CUR), 30 psi; both Ion Source GS1 and GS2, 50 psi; ion-spray voltage floating (ISVF), −4000 V in negative mode and 5000 V in positive mode, respectively; declustering potential, 80 V; collision energy (CE), 20–60 V rolling for MS/MS. Data acquisition was performed with the Data-Dependent Acquisition (DDA) mode.…”

Integration of UPLC–QE–MS/MS and network pharmacology to investigate the active components and action mechanisms of tea cake extract for treating cough

“…Tandem mass spectrometry combined with ultra-high performance liquid chromatography (UPLC-MS/MS) is widely regarded as a preferred and effective method for the analysis of traditional Chinese medicine, owing to its ability to provide structural fragment information of compounds at different retention times. UPLC-MS/ MS can not only obtain the chemical profile of TCM extract, but also roughly estimate the relative content of components according to their signal strength (Yang et al, 2020). Meanwhile, with the rapid development of computer technology and systems biology, network pharmacology has emerged.…”