Two novel methodologies for quantification of C(13) norisoprenoids in wines were developed. The first methodology, method A (reference method) was based on the headspace solid-phase microextraction combined with gas chromatography-quadrupole mass spectrometry operating in selected ion monitoring mode (HS-SPME-GC-qMS-SIM). This methodology allowed to select the GC conditions for an adequate chromatographic resolution of wine components. The second methodology, method B (rapid method) was based on the HS-SPME-GC-qMS-SIM, using GC conditions that allowed to obtain a C(13) norisoprenoid volatile signature. In the later, the GC capillary column of 30 m at 220 degrees C was used acting as a transfer line of the components sorbed by the SPME coating fibre to the mass spectrometer, which acts as a sensor for m/z fragments 142 and 192. It does not require any pre-treatment of the sample, and the C(13) norisoprenoid composition of the wine was evaluated based on the chromatographic profile and specific m/z fragments, without complete chromatographic separation of its components. For quantification purposes, external calibration curves were constructed with beta-ionone chemical standard. Calibration curves with regression coefficient (r(2)) of 0.9940 and 0.9968, RSD of 1.08% and 12.51%, and detection limits of 1.10 and 1.57 microg L(-1) were obtained for methods A and B, respectively. These methodologies were applied to seventeen white and red table wines. Two vitispirane isomers (158-1529 microg L(-1)) and 1,1,6-trimethyl-1,2-dihydronaphthalene (TDN) (6.42-39.45 microg L(-1)) were quantified. The data obtained for vitispirane isomers and TDN using the two methods were highly correlated (r(2) of 0.9756 and 0.9630, respectively). Associated to the fast and robust character of the proposed rapid method B and considering the extraction time, it is important to focus its selectivity and potential applicability if specific m/z fragments would be established for new analytes.
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http://dx.doi.org/10.1016/j.chroma.2009.09.061 | DOI Listing |
J Chromatogr B Analyt Technol Biomed Life Sci
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School of Chemical Engineering, Ocean and Life Sciences, Dalian University of Technology, Panjin, Liaoning, 124221, China. Electronic address:
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In recent years, alternative enzymes with varied specificities have gained importance in MS-based bottom-up proteomics, offering orthogonal information about biological samples and advantages in certain applications. However, most mass spectrometric workflows are optimized for tryptic digests. This raises the questions of whether enzyme specificity impacts mass spectrometry and if current methods for nontryptic digests are suboptimal.
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January 2025
Particle Pollution and Prevention (LAP3), Department of Environmental Science and Engineering, Fudan University, Shanghai 200438, China.
Polycyclic aromatic hydrocarbons (PAHs) are pervasive environmental pollutants with significant health risks due to their carcinogenic, mutagenic, and teratogenic properties. Traditional methods for PAH identification, primarily relying on gas chromatography-mass spectrometry (GC-MS), utilize spectral library searches together with other techniques, such as mass defect analysis. However, these methods are limited by incomplete spectral libraries and a high false positive rate.
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Department of Chemistry, University of Texas at Austin, Austin, Texas 78712, United States.
Proteo-SAFARI is a shiny application for fragment assignment by relative isotopes, an R-based software application designed for identification of protein fragment ions directly in the / domain. This program provides an open-source, user-friendly application for identification of fragment ions from a candidate protein sequence with support for custom covalent modifications and various visualizations of identified fragments. Additionally, Proteo-SAFARI includes a nonnegative least-squares fitting approach to determine the contributions of various hydrogen shifted fragment ions ( + 1, + 1, - 1, - 2) observed in UVPD mass spectra which exhibit overlapping isotopic distributions.
View Article and Find Full Text PDFACS Omega
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