UHPLC‐Q‐TOF‐MS/MS Dereplication to Identify Chemical Constituents of Hedera helix Leaves in Vietnam

Abstract

Hedera helix has been reported to contain a wide range of metabolites and produce many pharmacological effects. This research demonstrates the determination and evaluation of the phytochemical profiling of H. helix grown in central Vietnam. Methanolic extract of ivy had been analyzed by ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC‐Q‐TOF‐MS/MS). MS, and MS/MS experiments were manipulated using both negative and positive ionization modes to provide molecular mass information and production spectra for the structural elucidation of compounds. A total of 46 compounds including 24 triterpene saponins and other compounds were successfully identified of which four established saponin structures have been reported for the first time. This study has provided a base for building a quality control of the raw materials according to the profile of triterpene saponins and assessment of pharmaceutical ingredients of H. helix planted in Vietnam.

Enhancement of Female Rat Fertility via Ethanolic Extract from Nigella sativa L. (Black Cumin) Seeds Assessed via HPLC-ESI-MS/MS and Molecular Docking

“…Twenty metabolites were identified via HPLC-ESI-MS/MS analysis of the N. sativa seed ethanol extract. The identification was performed depending on the mass data in a negative mode and a comparison with previously documented data [28,29]. All of the identified compounds, along with the R t , observed mass ion peak, and major mass fragmentation ions of each, were inserted in Table 1.…”

“…LC-MS spectral interpretation allowed for the identification of four alkaloids, magnoflorine, nigellidine, dihydronigellidine, and nigelanoid; four saponins, hederagenin, hederageninpentoside, tauroside E, and hederagenin methyl ester; three monoterpenes, thymoquinolglucoside, thymoquinone, and thymoquinolglucuronic acid; one flavonoid, kaempferol; four phenolic acids, vanillic acid, methoxy cinnamic acid, caffeic acid 3-O-glucuronide, and (E)-p-coumaric acid; and three fatty acids, marked by their MS/MS and in negative ionization mode. [M-H-Rha-Pent (308)] − due to loss of rhamnose and pentose sugar, which were suggested as hederageninpentoside (7) and tauroside E (8) (Figure S5), respectively [30][31][32] [29,30]. For compound 4, the ions were observed in the MS/MS spectra with fragment ions at m/z 310.07 [M-H-CH 3 ] − , 282.09 [M-H-CH 3 -CH-CH 3 ] − , and 163.00 [M-H-glucose (162)] − , corresponding to thymoquinolglucoside (Figure S7) [28,32].…”

“…P4 is crucial for maintaining pregnancy, releasing mature oocytes, and facilitating implantation [5][6][7]. E2 is essential for the growth and activation of the female reproductive system, as well Molecules 2024, 29, 735 2 of 20 as the development of secondary sex characteristics [8]. Disruptions in the production or action of these hormones can interrupt the reproductive process and potentially lead to infertility.…”

Common Ivy (Hedera Helix L.) as a Novel Green Resource in an Urban Biorefinery Concept

“…Moreover, ultrahigh performance liquid chromatography-quadrupole time-of-flight-tandem mass spectrometry (UHPLC-Q-TOF-MS/MS) has also proven to be an adequate analysis methodology to quantify ivy saponins rapidly. Furthermore, this methodology allowed the identification of novel ivy-derived phytochemicals . The previous shows that the quantification of CI-derived phytochemicals is not straightforward, and it requires the use of highly specialized machinery with highly trained personnel to ensure accurate identification and quantification.…”

“…Furthermore, this methodology allowed the identification of novel ivy-derived phytochemicals. 81 The previous shows that the quantification of CI-derived phytochemicals is not straightforward, and it requires the use of highly specialized machinery with highly trained personnel to ensure accurate identification and quantification.…”