scholarly journals Identification of Secondary Metabolites in Flammulina velutipes by UPLC-Q-Exactive-Orbitrap MS

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Ying Ding ◽  
Sitan Chen ◽  
Honglin Wang ◽  
Shanlei Li ◽  
Changyang Ma ◽  
...  
Keyword(s):  
Secondary Metabolites ◽  
Nutritional Value ◽  
Flammulina Velutipes ◽  
Edible Fungus ◽  
Orbitrap Mass Spectrometry ◽  
Q Exactive ◽  
Ultrahigh Performance Liquid Chromatography ◽  
Plant Metabolite ◽  
High Resolution Accurate Mass ◽  
Orbitrap Ms

Flammulina velutipes is the fourth largest edible fungus in China with high nutritional value. In this paper, ultrahigh-performance liquid chromatography tandem hybrid quadrupole-Orbitrap mass spectrometry (UPLC-Q-Exactive-Orbitrap MS) was used to identify the secondary metabolites of F. velutipes. The metabolites were identified by comparing the retention time, accurate molecular weight, and MS2 data with standard databases of mzVault and mzCloud (compound: 17,000+) and BGI high-resolution accurate mass plant metabolome database (plant metabolite: 2500+). Finally, 26 secondary metabolites were preliminarily identified, including flavonoids, phenylpropanoids, organic acids, and steroids.

scholarly journals Lipid profile migration during the tilapia muscle steaming process revealed by a transactional analysis between MS data and lipidomics data

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Rui Sun ◽  
Tingting Wu ◽  
Hao Guo ◽  
Jiamin Xu ◽  
Jiahui Chen ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Lipid Profile ◽  
High Performance ◽  
Analysis Procedure ◽  
Transactional Analysis ◽  
Positive Data ◽  
Orbitrap Mass Spectrometry ◽  
Q Exactive ◽  
Migration Analysis ◽  
Orbitrap Ms

AbstractIn this work, lipid profile migration from muscle to juice during the tilapia muscle steaming process was revealed by a transactional analysis of data from ultra-high-performance liquid chromatography coupled with Q Exactive (UHPLC-QE) Orbitrap mass spectrometry (MS) and lipidomics. Firstly, the lipids in tilapia muscles and juices at different steaming time points were extracted and examined by UHPLC-QE Orbitrap mass spectrometry. Secondly, a transactional analysis procedure was developed to analyze the data from UHPLC-QE Orbitrap MS and lipidomics. Finally, the corrected lipidomics data and the normalized MS data were used for lipid migration analysis. The results suggested that the transactional analysis procedure was efficient to significantly decrease UHPLC-QE Orbitrap MS workloads and delete the false-positive data (22.4–36.7%) in lipidomics data, which compensated the disadvantages of the current lipidomics method. The lipid changes could be disappearance, full migration into juice, appearance in juice, appearance in muscle, appearance in both muscle and juice, and retention in the muscle. Moreover, the results showed 9 (compared with 52), 5 (compared with 116), and 10 (compared with 178) of lipid class (compared with individual lipid) variables showed significant differences among the different steaming times (0, 10, 30, and 60 min) in all the muscles, juices, and muscle-juice systems, respectively. These results showed significant lipid profile migration from muscle to juice during the tilapia steaming process.

scholarly journals Comparative Research of Chemical Profiling in Different Parts of Fissistigma oldhamii by Ultra-High-Performance Liquid Chromatography Coupled with Hybrid Quadrupole-Orbitrap Mass Spectrometry

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 960
Author(s):  
Haibo Hu ◽  
Yau Lee-Fong ◽  
Jinnian Peng ◽  
Bin Hu ◽  
Jialin Li ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Scientific Development ◽  
Multivariate Statistical ◽  
Accurate Identification ◽  
Orbitrap Mass Spectrometry ◽  
Q Exactive

The roots of Fissistigma oldhamii (FO) are widely used as medicine with the effect of dispelling wind and dampness, promoting blood circulation and relieving pains, and its fruits are considered delicious. However, Hakka people always utilize its above-ground parts as a famous folk medicine, Xiangteng, with significant differences from literatures. Studies of chemical composition showed there were multiple aristolactams that possessed high nephrotoxicity, pending evaluation research about their distribution in FO. In this study, a sensitive, selective, rapid and reliable method was established to comparatively perform qualitative and semi-quantitative analysis of the constituents in roots, stems, leaves, fruits and insect galls, using an Ultra-High-Performance Liquid Chromatography coupled with Hybrid Quadrupole Orbitrap Mass Spectrometry (UPLC-Q-Exactive Orbitrap MS, or Q-Exactive for short). To make more accurate identification and comparison of FO chemicals, all MS data were aligned and screened by XCMS, then their structures were elucidated according to MSn ion fragments between the detected and standards, published ones or these generated by MS fragmenter. A total of 79 compounds were identified, including 33 alkaloids, 29 flavonoids, 11 phenylpropanoids, etc. There were 54 common components in all five parts, while another 25 components were just detected in some parts. Six toxic aristolactams were detected in this experiment, including aristolactam AII, AIIIa, BII, BIII, FI and FII, of which the relative contents in above-ground stems were much higher than roots. Meanwhile, multivariate statistical analysis was performed and showed significant differences both in type and content of the ingredients within all FO parts. The results implied that above-ground FO parts should be carefully valued for oral administration and eating fruits. This study demonstrated that the high-resolution mass spectrometry coupled with multivariate statistical methods was a powerful tool in compound analysis of complicated herbal extracts, and the results provide the basis for its further application, scientific development of quality standard and utilization.

scholarly journals Metabolome-Based Discrimination Analysis of Five Lilium Bulbs Associated with Differences in Secondary Metabolites

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1340
Author(s):  
Ying Kong ◽  
Huan Wang ◽  
Lixin Lang ◽  
Xiaoying Dou ◽  
Jinrong Bai
Keyword(s):  
Secondary Metabolites ◽  
Bioactive Compounds ◽  
Functional Foods ◽  
Tandem Mass ◽  
Limited Information ◽  
Eastern Asia ◽  
Discrimination Analysis ◽  
Lilium Species ◽  
Metabolite Profiles ◽  
Ultrahigh Performance Liquid Chromatography

The bulbs of several Lilium species are considered to be both functional foods and traditional medicine in northern and eastern Asia. Considering the limited information regarding the specific bioactive compounds contributing to the functional properties of these bulbs, we compared the secondary metabolites of ten Lilium bulb samples belonging to five different species, using an ultrahigh-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS)-based secondary metabolomics approach. In total, 245 secondary metabolites were detected; further, more metabolites were detected from purple Lilium bulbs (217 compounds) than from white bulbs (123–171 compounds). Similar metabolite profiles were detected in samples within the same species irrespective of where they were collected. By combining herbal analysis and screening differential metabolites, steroid saponins were considered the key bioactive compounds in medicinal lilies. Of the 14 saponins detected, none were accumulated in the bulbs of L. davidii var. willmottiae, also called sweet lily. The purple bulbs of L. regale accumulated more secondary metabolites, and, notably, more phenolic acid compounds and flavonoids. Overall, this study elucidates the differential metabolites in lily bulbs with varying functions and colors and provides a reference for further research on functional foods and the medicinal efficacy of Lilium species.

The analysis of active compounds in Flos Chrysanthemi Indici by UHPLC Q exactive HF hybrid Quadrupole-Orbitrap MS and comprehensive quality assessment of its preparation

2021 ◽  
Author(s):  
Tingting Dai ◽  
Guoxiang Sun
Keyword(s):  
Antioxidant Activity ◽  
Correlation Analysis ◽  
Quality Assessment ◽  
Active Compounds ◽  
Q Exactive ◽  
Orbitrap Ms

Active compounds’ analysis between Flos Chrysanthemi Indici (FCI) and its preparation (FCIP), and the comprehensive quality assessment of its preparation as well as the correlation analysis between the antioxidant activity and fingerprint.

scholarly journals High-Throughput Identification of Organic Compounds from Polygoni Multiflori Radix Praeparata (Zhiheshouwu) by UHPLC-Q-Exactive Orbitrap-MS

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3977
Author(s):  
Shaoyun Wang ◽  
Xiaozhu Sun ◽  
Shuo An ◽  
Fang Sang ◽  
Yunli Zhao ◽  
...  
Keyword(s):  
High Performance ◽  
Chemical Constituents ◽  
Water Extract ◽  
Ethanol Extract ◽  
In Vivo Studies ◽  
Polygonum Multiflorum ◽  
Q Exactive ◽  
Orbitrap Ms

Polygoni Multiflori Radix Praeparata (PMRP), as the processed product of tuberous roots of Polygonum multiflorum Thunb., is one of the most famous traditional Chinese medicines, with a long history. However, in recent years, liver adverse reactions linked to PMRP have been frequently reported. Our work attempted to investigate the chemical constituents of PMRP for clinical research and safe medication. In this study, an effective and rapid method was established to separate and characterize the constituents in PMRP by combining ultra-high performance liquid chromatography with hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS). Based on the accurate mass measurements for molecular and characteristic fragment ions, a total of 103 compounds, including 24 anthraquinones, 21 stilbenes, 15 phenolic acids, 14 flavones, and 29 other compounds were identified or tentatively characterized. Forty-eight compounds were tentatively characterized from PMRP for the first time, and their fragmentation behaviors were summarized. There were 101 components in PMRP ethanol extract (PMRPE) and 91 components in PMRP water extract (PMRPW). Simultaneously, the peak areas of several potential xenobiotic components were compared in the detection, which showed that PMRPE has a higher content of anthraquinones and stilbenes. The obtained results can be used in pharmacological and toxicological research and provided useful information for further in vitro and in vivo studies.

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

ACS Omega ◽  
2021 ◽  
Author(s):  
Kanghui Wang ◽  
Jingyuan Tian ◽  
Yueshan Li ◽  
Mengshi Liu ◽  
Yingxin Chao ◽  
...  
Keyword(s):  
Q Exactive ◽  
Different Origins ◽  
Orbitrap Ms
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