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Peaks DB is a database search engine, run in parallel with de novo sequencing to automatically validate search results, allowing for more found sequences for a given false discovery rate. In addition to providing an independent database search, results can be incorporated as part of the software's multi-engine (Sequest, Mascot, X!Tandem, OMSSA ...
multiple broad peaks C─O alcohols: primary 1040–1060 strong, broad secondary ~1100 strong tertiary 1150–1200 medium phenols any 1200 ethers aliphatic 1120 aromatic 1220–1260 carboxylic acids any 1250–1300 esters any 1100–1300 two bands (distinct from ketones, which do not possess a C─O bond) C─N aliphatic amines any 1020–1220
The FT-IR spectra were recorded using a Nicolet 170SX or a JASCO FT/IR-410 spectrometer. For spectra recorded in the Nicolet spectrometer, the data were stored at intervals of 0.5 cm −1 in the 4,000 – 2,000 cm −1 region and of 0.25 cm −1 in the 2,000 – 400 cm −1 region and the spectral resolution was 0.25 cm −1.
OpenChrom is an open source software for the analysis and visualization of mass spectrometric and chromatographic data. [4] Its focus is to handle native data files from several mass spectrometry systems (e.g. GC/MS, LC/MS, Py-GC/MS, HPLC-MS), vendors like Agilent Technologies, Varian, Shimadzu, Thermo Fisher, PerkinElmer and others.
PeakFit is an automated nonlinear peak separation and analysis software package for scientists performing spectroscopy, chromatography and electrophoresis.. PeakFit automatically finds and fits up to 100 peaks to a data set, at a time, enabling users to characterize peaks and find the best equation that fits their data.
An interferogram from an FTIR measurement. The horizontal axis is the position of the mirror, and the vertical axis is the amount of light detected. This is the "raw data" which can be Fourier transformed to get the actual spectrum. Fourier transform infrared (FTIR) spectroscopy is a
Fourier transform infrared spectroscopy (FTIR) [1] is a technique used to obtain an infrared spectrum of absorption or emission of a solid, liquid, or gas. An FTIR spectrometer simultaneously collects high-resolution spectral data over a wide spectral range.
FTIR mode Sample preparation Schematic diagram Transmission FTIR: Transmission mode is the most widely used FTIR technique in geoscience due to its high analysis speed and cost-efficient characteristics. [4] The sample, either a rock or a mineral, is cut into a block and polished on both sides until a thin (typically 300 to 15 μm) wafer is ...
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