UPLC-Q-Exactive Orbitrap MS Analysis for Identification of Lipophilic Components in Citri Sarcodactylis Fructus from Different Origins in China Using Supercritical CO₂ Fluid Extraction Method

Abstract

To thoroughly evaluate the quality of Citri Sarcodactylis Fructus (CSF) and acquire knowledge of the lipophilic components of CSF from different origins, a simple and efficient approach based on supercritical fluid extraction (SFE) combined with ultraperformance liquid chromatography plus Q-Exactive Orbitrap tandem mass spectrometry (UPLC-Q-Exactive Orbitrap/MS) detection for the discrimination of components from CSF was set up for the first time in this work. Eight batches of CSF samples from five main producing areas were extracted by SFE under optimized conditions, and then SFE extracts were dissected via UPLC-Q-Exactive Orbitrap/MS. The results indicated that 39 lipophilic compounds were successfully separated and unambiguously or tentatively identified, where 4 coumarins, 6 polymethoxyflavones, 3 phthalides, 6 terpenes, and 4 phenolics were not reported formerly. It was illustrated that CSF may be abundant in polymethoxyflavones, as in coumarins. Moreover, there were significant differences in the components of CSF from different origins. Especially, coumarin, dehydrocostus lactone, atractylenolide II, and atractylenolide I were exclusively found in CSF from the Guangdong province; isopsoralen was almost exclusively found in CSF from the Guangxi province; and ferulic acid was exclusively found in CSF from the Zhejiang province. These observations indicated that SFE joint with UPLC-Q-Exactive Orbitrap/MS owing to the potential of characterizing the lipophilic components could be used to promote quality assessment and chemotaxonomic investigation in phytology sciences of CSF.

Chemical Fingerprinting and Biological Evaluation of the Endemic Chilean Fruit Greigia sphacelata (Ruiz and Pav.) Regel (Bromeliaceae) by UHPLC-PDA-Orbitrap-Mass Spectrometry

“…In this study, the fingerprint was generated using UHPLC-PDA-Orbitrap-MS ( Figure 2) allowing the determination of several types of metabolites in the fruits of the Mapuche specie G. sphacelata ( Table 1) Examples of full MS spectra and structures of the compounds identified are displayed in Figure S1. The detailed identification is explained below: performance mass spectrometer for the detection of small organic molecules [12][13][14]. This is a dual high resolution with accurate mass (HRAM) spectrometer with an orbital trap (Orbitrap), a quadrupole (Q), and a high-performance collision cell (HCD), capable of producing high-resolution parent ions and diagnostic MS daughter fragments.…”

“…HPLC or UHPLC coupled to mass spectrometry is a key technique for plant chemotaxonomy or comparative metabolic profiling. Q-Exactive type focus equipment uses a very rapid high-performance mass spectrometer for the detection of small organic molecules [12][13][14]. This is a dual high resolution with accurate mass (HRAM) spectrometer with an orbital trap (Orbitrap), a quadrupole (Q), and a high-performance collision cell (HCD), capable of producing high-resolution parent ions and diagnostic MS daughter fragments.…”

Qualitative and quantitative analyses of chemical components of Citri Sarcodactylis Fructus from different origins based on UPLC–Q–Exactive Orbitrap–MS and GC–MS

“…Some CSF components have medicinal and commercial values (Chu et al., 2012 ; Yanmei et al., 2015 ; Zheng et al., 2021 ). In previous study, we have carried out a relatively comprehensive qualitative analysis of the nonvolatile components of CSF (Fu et al., 2020 ; Wang et al., 2021 ), including flavonoids, limonoids, organic acids, coumarins, and other compounds. However, the determination analysis of major pharmacological compositions and volatile oil that possesses remarkable potential value of CSFs from different regions is lacking.…”

Identification of Components in Citri Sarcodactylis Fructus from Different Origins via UPLC-Q-Exactive Orbitrap/MS

“…sarcodactylis Swingle, belongs to Citrus botany in Rutaceae . CSF has a long cultivation history in China, which is widely distributed in Guangdong, Guangxi, Zhejiang, Sichuan, and Yunnan provinces . As a medicinal and edible plant, CSF shows various pharmacological effects of antitumor, neuroprotection, antioxidation, anti-inflammatory, antimicrobial, antiblood pressure, lipid-lowering, and antianxiety. − …”