Standards-Based UPLC-Q-Exactive Orbitrap MS Systematically Identifies 36 Bioactive Compounds in Ampelopsis grossedentata (Vine Tea)

Abstract

Ampelopsis grossedentata (vine tea) has been used as a detoxifying beverage in China for centuries. To systematically identify its bioactive compounds, the study adopted standards-based ultra-high-performance liquid chromatography coupled with quadrupole/electrostatic field orbitrap high-resolution mass spectrometry (UPLC-Q-Exactive Orbitrap MS) analysis. The analysis was conducted under a negative ion model and the data were collected using the Xcalibur 4.1 software package. Based on comparisons with authentic standards, 36 bioactive compounds were putatively identified by four parameters: retention time, molecular ion peak, MS/MS profile, and characteristic fragments. These bioactive compounds include two chromones (noreugenin and 3,5,7-trihydroxychromone), 15 flavonoids (S-eriodictyol, S-naringenin, luteolin, ampelopsin, taxifolin, myricetin, quercetin, viscidulin I, kaempferol, myricetin 3-O-galactoside, myricitrin, avicularin, quercitrin, isorhamnetin-3-O-β-D-glucoside, and afzelin), four phenolic acids (gallic acid, 3,4-dihydroxy-5-methoxybenzoic acid, syringic acid, and ellagic acid), five tea polyphenols (epigallocatechin, epigallocatechin gallate, gallocatechin gallate, epicatechin gallate, and catechin gallate), three chalcones (phloridzin, phloretin, and naringenin chalcone), one stilbene (polydatin), two lipids (myristic acid and ethyl stearate), one sugar (D-gluconic acid), one amino acid (L-tryptophan), one triterpenoid (oleanolic acid) and one alkaloid (jervine). Notably, the jervine identification is the first report regarding the occurrence of alkaloid in the plant. Two chromones may be the parent skeleton to biosynthesize the flavonoid in A. grossedentata.

Ultra‐high‐performance liquid chromatography‐Quadrupole‐Exactive‐Orbitrap‐tandem mass spectrometry‐based putative identification for Eucommiae Folium (Duzhongye) and its quality‐marker candidate for pharmacopeia

“…Software, data acquisition, and putative identification Xcalibur 4.1 software package and TraceFinder General Quan (Thermo Fisher Scientific) were used for data acquisition and analysis. The acquired data included retention time, molecular peak, MS/MS profile, and typical fragments of authentic standards [24]. The data were recorded in the software package to build a database of authentic standards.…”

Database-aided UHPLC-Q-orbitrap MS/MS Strategy Putatively Identifies 52 Compounds from Wushicha Granule to Propose Anti-counterfeiting Quality-markers for Pharmacopoeia

“…The database has been built up using the corresponding authentic standards, according to the previous study [14] . In brief, these authentic standards were dissolved in methanol at 30 µg/mL, respectively.…”

“…Xcalibur 4.1 software package and TraceFinder General Quan (Thermo Fisher Scienti c Inc., Waltham, MA, USA) were used for data acquisition and analysis [14] . The acquired data included retention time (R.T.), molecular peak, MS/MS pro le, and diagnostic MS/MS fragments of authentic standards.…”

Proposing anti‐counterfeiting pharmacopoeia quality markers for Shenlingbaizhu granule based on UHPLC‐Q‐orbitrap‐MS identification

“…The technology was documented to be able to simultaneously identify dozens and even hundreds of compounds. 9,10 This has become a great advantage over the conventional HPLC technology in high efficiency because the latter could simultaneously assess 2-10 compounds only. [11][12][13][14][15] Moreover, the emerging technology has an advantage in high resolution; it is much more sensitive than the so-called "sensitivity" fast-atom-bombardment mass spectrometry (FAB-MS).…”

“…[11][12][13][14][15] Moreover, the emerging technology has an advantage in high resolution; it is much more sensitive than the so-called "sensitivity" fast-atom-bombardment mass spectrometry (FAB-MS). 9,10,16 Nevertheless, the high resolution of UHPLC-Q-orbitrap-MS/MS is limited to m/z value analysis in MS spectra and thus is not good at isomers distinction. This is because different isomers always possess identical m/z values with each other.…”