Mass Spectral Fragmentation Studies of Coumarin-Type Compounds Using GC High-Resolution MS
نویسندگان
چکیده
The present study was undertaken to investigate fragmentation of a set of thirteen coumarins that bear amino-, alkylamino-, alkyl-, fluoroalkyl-groups, and heterocyclic rings, in a high-resolution (>10,000) quadrupole time-of-flight mass spectrometer equipped with an the electron ionization source and interfaced to a gas chromatograph. We have demonstrated how our data processing software is used to generate molecular formulas from high-resolution accurate mass measurements and isotope ratios, and have shown that only with a high-resolution MS can one distinguish between the loss of CO, C2H4, or CH2N. EI mass spectra are shown for all coumarins tested here, and proposed fragmentation pathways based on the high-resolution MS data are proposed for two coumarins.
منابع مشابه
Enhanced Isotopic Ratio Outlier Analysis (IROA) Peak Detection and Identification with Ultra-High Resolution GC-Orbitrap/MS: Potential Application for Investigation of Model Organism Metabolomes
Identifying non-annotated peaks may have a significant impact on the understanding of biological systems. In silico methodologies have focused on ESI LC/MS/MS for identifying non-annotated MS peaks. In this study, we employed in silico methodology to develop an Isotopic Ratio Outlier Analysis (IROA) workflow using enhanced mass spectrometric data acquired with the ultra-high resolution GC-Orbit...
متن کاملIdentification of phenolic antioxidants in Ipomoea mauritiana jacq. using spectrophotometric and mass spectroscopic studies
Objective: Ipomoea mauritiana is used in both Ayurveda and folk medicine systems. The tuberous roots are known to be diuretic, depurative, carminative, and anthelmintic. The objective of the current study was to identify phenolic antioxidants from I. mauritiana using spectrophotometric and LC-MS analysis. Materials and Methods: An activity-guided fractionation and purification process was used t...
متن کاملUse of Soft and Hard Ms Ionization Techniques for Unknown Compounds Elucidation by Gc-tof Ms
Investigation of trace level non-target compounds by GC-MS often is a challenging task that requires powerful software tools to detect the unknown components, to obtain the deconvoluted mass spectra, and to interpret the data if no acceptable library match is obtained. In this paper, the complementary use of EI and CI is investigated in combination with GCTOF MS for the elucidation of organic n...
متن کاملComprehensive profiling of coal tar and crude oil to obtain mass spectra and retention indices for alkylated PAH shows why current methods err.
Investigators use C(1) to C(4) substituted polycyclic aromatic hydrocarbons (PAH) to assess ecological risk and to track fossil fuels and related pollutants in the environment. To quantify these compounds gas chromatography/mass spectrometry (GC/MS) is used. This work demonstrates single ion monitoring (SIM) or extraction (SIE) of full scan data produces inaccurate and imprecise concentration e...
متن کاملIsolation of Phenolic Derivatives and Essential Oil Analysis of Prangos ferulacea (L.) Lindl. Aerial Parts
Prangos ferulacea (L.) Lindl. (Apiaceae) is a medicinal plant distributed in Mediterranean regions, Caucasia and southwest of Asia. In the present study phytochemical constituents of the extract obtained from the aerial parts of P. ferulacea were investigated using various chromatographic and spectroscopic methods. Essential oil of the plant aerial parts was also analyzed using GC-MS. Five phen...
متن کامل