Quantification of acid metabolites in complex plant samples by using second-order calibration coupled with GC-mass spectrometry detection to resolve the influence of seriously overlapped chromatographic peaks

2016 ◽  
Vol 8 (4) ◽  
pp. 747-755 ◽  
Author(s):  
Hai-Yan Fu ◽  
He-Dong Li ◽  
Bing Wang ◽  
Jun-Lan Cai ◽  
Jun-Wei Guo ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Quantitative Analysis ◽  
Second Order ◽  
Mass Spectrometry Detection ◽  
Plant Samples ◽  
New Strategy ◽  
Acid Metabolites ◽  
Second Order Calibration ◽  
Chromatographic Peaks

A new strategy was developed for quantitative analysis of acid metabolites in plant samples.

Chemometrics-assisted liquid chromatography-full scan mass spectrometry for simultaneous determination of multi-class estrogens in infant milk powder

2018 ◽  
Vol 10 (12) ◽  
pp. 1459-1471 ◽  
Author(s):  
Xiao-Dong Sun ◽  
Hai-Long Wu ◽  
Zhi Liu ◽  
Li-Xia Xie ◽  
Yong Hu ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Simultaneous Determination ◽  
Milk Powder ◽  
Calibration Method ◽  
Second Order ◽  
Infant Milk Powder ◽  
Full Scan ◽  
Second Order Calibration

Simultaneous determination of estrogens in infant milk powder using a second-order calibration method coupled with LC-MS operated in full scan mode.

scholarly journals Mass Spectrometry-Based Metabolomics Combined with Quantitative Analysis of the Microalgal Diatom (Chaetoceros calcitrans)

Marine Drugs ◽  
2020 ◽  
Vol 18 (8) ◽  
pp. 403
Author(s):  
Awanis Azizan ◽  
M. Maulidiani ◽  
Rudiyanto R. ◽  
Khozirah Shaari ◽  
Intan Safinar Ismail ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Quantitative Analysis ◽  
Plant Species ◽  
High Resolution Mass Spectrometry ◽  
Land Plant ◽  
Mass Spectrometry Detection ◽  
Orbitrap Mass Spectrometry ◽  
Metabolic Activities ◽  
Chaetoceros Calcitrans ◽  
Acetone Extracts

Although many metabolomics studies of higher land plant species have been conducted, similar studies of lower nonland plant species, which include microalgae, are still developing. The present study represents an attempt to characterize the metabolic profile of a microalgal diatom Chaetoceros calcitrans, by applying high-resolution mass spectrometry detection, via Q-ExactiveTM Plus Orbitrap mass spectrometry. The results showed that 54 metabolites of various classes were tentatively identified. Experimentally, the chloroform and acetone extracts were clearly distinguished from other solvent extracts in chemometric regression analysis using PLS, showing the differences in the C. calcitrans metabolome between the groups. In addition, specific metabolites were evaluated, which supported the finding of antioxidant and anti-inflammatory activities. This study also provides data on the quantitative analysis of four carotenoids based on the identification results. Therefore, these findings could serve as a reliable tool for identifying and quantifying the metabolome that could reflect the metabolic activities of C. calcitrans.

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