scholarly journals Investigation of Volatile Compounds in Combination with Multivariate Analysis for the Characterization of Monofloral Honeys

2021 ◽  
Vol 12 (1) ◽  
pp. 264
Author(s):  
Chrysoula Tananaki ◽  
Vasilios Liolios ◽  
Dimitrios Kanelis ◽  
Maria Anna Rodopoulou
Keyword(s):  
Volatile Compounds ◽  
Volatile Profile ◽  
Gas Chromatograph ◽  
Aroma Profile ◽  
Extraction Separation ◽  
Mass Spectrometer System ◽  
Chemometric Approach ◽  
Spectrometer System ◽  
Thyme Honey

Lately there has been a growing demand for monofloral honeys with distinctive properties. Considering the limitations of pollen analysis, the volatile profile of honey has been proposed as a helpful supplementary tool for the confirmation of monoflorality; however, research remains regarding the volatile markers that may characterize the monofloral honey types. Therefore, in this study, we tried to expand the research by investigating the aroma profiles of five monofloral honey types (fir, pine, erica, thyme, cotton) and discriminate them through chemometric approach. A purge and trap–gas chromatograph–mass spectrometer system was used for the extraction, separation, and identification of volatile and semi-volatile compounds. Thyme honey had the richest quantitatively aroma profile, with 97 volatile compounds, whereas fir and cotton honeys had 65 and 60 volatile compounds, respectively. From a total of 124 compounds, the 38 were detected in all the studied honey types. Thyme honey was distinguished by the presence (or percentage participation) of benzeneacetaldehyde, benzealdehyde, and benzyl nitrile; erica honey of isophorone and furfural; cotton honey of 1-butanol, 2-methyl, 1-pentanol, and 4-methyl-; and honeydew honeys of α-pinene, octane, and nonanal. The discriminant analysis confirmed that the percentage participation of volatile compounds may lead to the discrimination of the studied monofloral honey types.

Routine Use of a Flexible Gas Chromatograph—Mass Spectrometer—Computer System to Identify Drugs and Their Metabolites in Body Fluids of Overdose Victims

1974 ◽  
Vol 20 (2) ◽  
pp. 255-265 ◽  
Author(s):  
C E Costello ◽  
H S Hertz ◽  
T Sakai ◽  
K Biemann
Keyword(s):  
Mass Spectrometer ◽  
Drug Overdose ◽  
Body Fluid ◽  
Mass Spectra ◽  
Body Fluids ◽  
Gas Chromatograph ◽  
Emergency Situations ◽  
Mass Spectrometer System ◽  
Spectrometer System ◽  
Resolution Mass

Abstract We have assembled a computer-searchable collection of 300 mass spectra of drugs, metabolites, normal body-fluid constituents, and common sample contaminants, for use in conjunction with a gas chromatograph—low resolution mass spectrometer system. The system is designed for analysis of drugs in body fluids of comatose victims of accidental or deliberate ingestion of a drug overdose. The speed and generality of the method make it particularly useful for such emergency situations. It has now been in routine use for longer than two years, and its usefulness is illustrated by results obtained for several actual samples.

scholarly journals Volatility measurement of atmospheric submicron aerosols in an urban atmosphere in southern China

2017 ◽  
Author(s):  
Li-Ming Cao ◽  
Xiao-Feng Huang ◽  
Yuan-Yuan Li ◽  
Min Hu ◽  
Ling-Yan He
Keyword(s):  
Southern China ◽  
Chemical Species ◽  
Urban Atmosphere ◽  
Chemical Components ◽  
Aerosol Mass Spectrometer ◽  
Aerosol Mass ◽  
Aerosol Pollution ◽  
Mass Spectrometer System ◽  
Spectrometer System

Abstract. Aerosol pollution has been a very serious environmental problem in China for many years. The volatility of aerosols can affect the distribution of compounds in the gas and aerosol phases, the atmospheric fates of the corresponding components and the measurement of the concentration of aerosols. Compared to the characterization of chemical composition, few studies have focused on the volatility of aerosols in China. In this study, a TD-AMS (Thermo-Denuder – Aerosol Mass Spectrometer) system was deployed to study the volatility of non-refractory PM1 species during winter in Shenzhen. To our knowledge, this paper is the first report of the volatilities of aerosol chemical components based on a TD-AMS system in China. The average PM1 mass concentration during the experiment was 42.7 ± 20.1 μg m−3, with organics being the most abundant component (43.2 % of the total mass). The volatility of chemical species measured by the AMS varied, with nitrate showing the highest volatility, with an MFR (mass fraction remaining) of 0.57 at 50 °C. Organics showed semi-volatile characteristics (the MFR was 0.88 at 50 °C), and the volatility had a relatively linear correlation with the TD temperature (from 50 to 200 °C), with an evaporation rate of 0.45 %·°C1. Five subtypes of OA were resolved from total OAs by PMF for data obtained under both ambient temperature and high temperatures through the TD, including a hydrocarbon-like OA (HOA, accounting for 13.5 %), a cooking OA (COA, 20.6 %), a biomass burning OA (BBOA, 8.9 %) and two oxygenated OAs (OOA): a less-oxidized OOA (LO-OOA, 39.1 %) and a more-oxidized OOA (MO-OOA, 17.9 %). Different OA species presented different volatilities; the volatility sequence of OA factors at 50 °C was HOA (MFR of 0.56) > LO-OOA (0.70) > COA (0.85) ≈ BBOA (0.87) > MO-OOA (0.99). The volatility sequence of OA components suggested that HOA, rather than BBOA or COA, could be a potentially important source of LO-OOA through the oxidizing process of Evaporation – Oxidation in gas phase – Condensation. The results above can contribute to the understanding of the formation and ageing of submicron aerosols in the atmosphere and will help to constrain aerosol modelling inputs.

scholarly journals Pseudo-MS3Approach Using Electrospray Mass Spectrometry (ESI-MS/MS) to Characterize Certain (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]hydrazinecarboxamide Derivatives

2014 ◽  
Vol 2014 ◽  
pp. 1-10
Author(s):  
Ali S. Abdelhameed ◽  
Adnan A. Kadi ◽  
Mohamed I. Attia ◽  
Rihab F. Angawi ◽  
Mohamed W. Attwa ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ion Trap ◽  
Quadrupole Mass ◽  
Triple Quadrupole Mass Spectrometer ◽  
Fragmentation Mechanisms ◽  
Mass Spectrometer System ◽  
Spectrometer System ◽  
Fragmentation Processes ◽  
Unambiguous Assignment

An approach for the use of in-source fragmentation with electrospray ionization followed by product ion scan in a triple quadrupole mass spectrometer system is described. This approach is based on the elucidation of the various fragmentation pathways by further dissociation of each fragment ion in the ion spectrum. This can be achieved predominately, by combining fragmentor voltage induced dissociation (in-source fragmentation) with subsequent collision-induced dissociation; this process can be referred to as pseudo-MS3scan mode. This technique permitted unambiguous assignment and provided sufficient sensitivity and specificity. It is advantageous for structure elucidation of unknown compounds. We investigate the possibility of using in-source fragmentation with the diverse novel chemical entities encompassing different substituents. This process was intended to improve the qualitative capability of tandem mass spectrometry simulating the MS3of ion trap for studying fragmentation mechanisms. The approach is to implement the investigated technique as a well established tool for the characterization of new pharmacologically important chemical entities. The data presented in this paper provided useful information on the effect of different substituents on the ionization/fragmentation processes and can be used in the characterization of (2E)-2-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]-hydrazinecarboxamide derivatives3a–h.

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