Volatilomic compound identification in several Indonesian underutilized Zingiberaceae spices using SPME-GC/MS
Ontology highlight
ABSTRACT:
ORGANISM(S): Ginger Zingiberaceae
TISSUE(S): Rhizome
SUBMITTER: 
Nancy Dewi Yuliana
PROVIDER: ST002102 | MetabolomicsWorkbench | Thu Feb 24 00:00:00 GMT 2022
REPOSITORIES: MetabolomicsWorkbench
Dataset's files
| Action | DRS | |||
|---|---|---|---|---|
| mwtab | Other |
Items per page: 5 1 - 1 of 1 |
Similar Datasets
Project description:We report a compound identification method (SimMR), which simultaneously evaluates the mass spectrum similarity and the retention index distance using an empirical mixture score function, for the analysis of GC-MS data. The performance of the developed SimMR method was compared to that of two existing compound identification strategies. One is the mass spectrum matching method without incorporation of retention index information (SM). The other is the method that sequentially evaluates the mass spectrum similarity and retention index distance (SeqMR). For comparison purposes, we used the NIST/EPA/NIH Mass Spectral Library 2005. Our study demonstrates that SimMR performs the best among the three compound identification methods, by improving the overall identification accuracy up to 1.53% and 4.81% compared to SeqMR and SM, respectively.
| S-EPMC4308046 | biostudies-literature
Project description:Volatile compounds were collected from different Streptomyces species, detected by GC-MS
2021-05-12 | MSV000087409 | MassIVE
Project description:Maca (Lepidium meyenii Walp.), originated in the high Andes of Peru, is rich in nutrients and phytochemicals. As a new resource food in China, Maca suffers marketing disorders due to the limitation of basic research. Due to the close relationship of Maca quality and origin of place, it's of scientific, economic and social importance to set up a rapid, reliable and efficient method to identify Maca origin. In the present study, 303 Maca samples were collected from 101 villages of the main producing area in China. Using electronic nose and BP neutral network algorithm, a Maca odor database was set up to trace the origin. GC-MS was then employed to analyze the characteristic components qualitatively and semi-quantitatively. As a result, very significant differences (p?<?0.01) were detected in the volatile components of Maca from different areas. This study not only constructs a network model to forecast the Maca origin, but also reveals the relationship between Maca odor fingerprints and origins.
| S-EPMC6704143 | biostudies-literature
Project description:The combination of a representative microplastic sampling method and a fast-quantitative analysis using Pyrolysis-GC-MS (Py-GC-MS) for investigation of the microplastic load and mass balances is presented in this work. A representative microplastic filtration requires a method allowing quick extraction of the sample. The developed steel based cascadic microplastic filtration uses steel basket filters with mesh sizes of 100??m, 50??m and 10??m and a mean recovery of 86 % without cross contamination was achieved. Thermoanalytical methods have the advantage of minimal sample preparation with short analysis times. The presented platinum filament-based Py-GC-MS method requires little sample preparation and quantification limits for polystyrene (PS) and polyethylene (PE) were 0.03??g and 1??g absolute, respectively. The relative standard deviation of the analytical method is 11 %. The combined method allows representative sampling and analysis of MP from water bodies and waste water treatment plants within 48?h. •Presentation of a validated steel based cascadic microplastic filtration plant.•Fast and reproduceable Py-GC-MS analysis method for microplastic.•Py-GC-MS allows microplastic analysis with little sample preparation.
| S-EPMC7152672 | biostudies-literature
Project description:We provide label-free data-dependent acquisition proteomics data of mcf-7 breast cancer cell lines treated with the pure minor hop compounds xanthohumol and xanthohumol c.
2019-03-05 | PXD010785 | Pride
Project description:The recent isolation of the yeast Saccharomyces eubayanus has opened new avenues in the brewing industry. Recent studies characterized the production of volatile compounds in a handful set of isolates, utilizing a limited set of internal standards, representing insufficient evidence into the ability of the species to produce new and diverse aromas in beer. Using Headspace solid-phase microextraction followed by gas chromatography-mass spectrometry (HS-SPME-GC-MS), we characterized for the first time the production of volatile compounds in 10 wild strains under fermentative brewing conditions and compared them to a commercial lager yeast. S. eubayanus produces a higher number of volatile compounds compared to lager yeast, including acetate and ethyl esters, together with higher alcohols and phenols. Many of the compounds identified in S. eubayanus are related to fruit and floral flavors, which were absent in the commercial lager yeast ferment. Interestingly, we found a significant strain × temperature interaction, in terms of the profiles of volatile compounds, where some strains produced significantly greater levels of esters and higher alcohols. In contrast, other isolates preferentially yielded phenols, depending on the fermentation temperature. This work demonstrates the profound fermentation product differences between different S. eubayanus strains, highlighting the enormous potential of this yeast to produce new styles of lager beers.
| S-EPMC7285299 | biostudies-literature
Project description:Isotope labeling measurements using mass spectrometry can provide informative insights on the metabolic systems of various organisms. The detailed identification of carbon positions included in the fragment ions of dicarboxylic and tricarboxylic acids in central carbon metabolism is needed for precise interpretation of the metabolic states. In this study, fragment ions containing the carbon backbone cleavage of dicarboxylic and tricarboxylic in the Krebs cycle were investigated by using gas chromatography (GC)-electron ionization (EI)-MS and GC-EI-MS/MS. The positions of decarboxylation in the dicarboxylic and tricarboxylic acids were successfully identified by analyses using position-specific 13C-labeled standards prepared by in vitro enzymatic reactions. For example, carboxyl groups of C1 and C6 of trimethylsilyl (TMS)- and tert-butyldimethylsilyl (TBDMS)-derivatized malic and citric acids were primarily cleaved by EI. MS/MS analyses were also performed, and fragment ions of TBDMS-citric and ?-ketoglutaric acids (?KG) with the loss of two carboxyl groups in collision-induced dissociation (CID) were observed.
| S-EPMC6920549 | biostudies-literature
Project description:Gas chromatography mass spectrometry (GC-MS) instruments provide researchers and clinicians with a vast amount of information on sample composition, thus these instruments are seen as gold standard in breath analysis research. However, there are many factors that can confound the data measured by GC-MS instruments. These factors will make interpretation of GC-MS data unreliable for breath analysis research. We present in this paper detailed studies of two of these factors: instrument variation over time and chemical degradation of known biomarkers during storage in sorbent tubes. We found that a single quadrupole MS showed larger variability in measurements than a quadrupole time-of-flight MS when the same mixture of chemical standards was analysed for a period of up to 8?weeks. We recommend procedures of normalising the data. Moreover, the stability studies of breath biomarkers like thioethers, previously found indicative of malaria, showed that there is a need to store the samples in sorbent tubes at low temperature, 6?°C, for no more than 20?days to avoid the total decay of the chemicals.
| S-EPMC6167955 | biostudies-literature
Project description:Shandong matcha has the quality characteristics of bright green color, seaweed-like aroma and strong, fresh and brisk taste. In order to identify the characteristic aroma components and clarify the contribution of the grinding process to the aroma of Shandong matcha. Three grades of Shandong matcha and corresponding tencha material were firstly tested with sensory evaluation, and the volatile components were extracted with headspace solid-phase microextraction (HS-SPME) and solvent-assisted flavor evaporation (SAFE) and analyzed using GC–MS. The sensory evaluation results showed that high-grade matcha (M-GS) had prominent seaweed-like, fresh and roasted notes, whereas medium and low-grade matcha (M-G1, M-G2) were gradually coupled with grassy, fatty and high-fired aromas. GC–MS results showed that in the HS-SPME method, heterocyclic compounds (45.84–65.35%) were the highest in Shandong matcha, followed by terpenoids (7.44–16.92%) and esters (6.91–15.27%), while in the safe method, esters were the highest (12.96–24.99%), followed by terpenoids (10.76–25.09%) and heterocyclic compounds (12.12–17.07%). As a whole, the composition of volatile components between M-G1 and M-G2 is relatively close, and there are more differences in volatile components between them and M-GS. The volatile components unique to M-GS were screened using the odor activity value (OAV) evaluation method, with components such as 3-methyl-2-butene-1-thiol, 3-ethyl-Phenol, 2-thiophenemethanethiol, 2,4-undecadienal, (E,E)-2,6-nonadienal, (E,Z)- being evaluated. There were other differentially volatile components, that is, volatile components that coexist in the three grades of matcha, but with different concentrations and proportions. M-G1 and M-G2 contained more volatile substances with high-fired aroma, such as 2-ethyl-3-methyl-pyrazine, coumarin and 5,6,7,8-tetrahydroquinoxaline. The grinding process not only changes the appearance of tencha, but also increases the content of volatile components of matcha as a whole, enhancing the aroma and flavor characteristics of matcha. In this study, the contents of 24 volatile components in matcha were mainly increased, such as benzene, (2,2-dimethoxyethyl)-, cis-7-decen-1-al, safranal and fenchyl acetate. The dual factors of material tencha and matcha grinding technology are indispensable in forming the differences in aroma and flavor of Shandong matcha at different levels.
| S-EPMC9562185 | biostudies-literature