核磁共振氢谱解析

Drag & drop
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*You can drag multiple folders that contain fid (or ser) to Mnova to open multiple spectra simultaneously. **Parameters from the raw data are used for processing. You can view or change the processing parameters by choosing Processing | Processing Parameters. See Help > Contents > Processing Basics for more details
Full view and zoom-in view for multiplet analysis
Full View: The whole spectrum and zoom-in area. Drag the blue box to move to other multiplets. (Choose View | Full View to open it)
Click here to pick the missing shoulder peak. Note: you may need to click SHIFT key to exit the auto peak picking mode to pick it.
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NMR Predict
Assign
DB
NMR ASV MS
Mnova: An integrated system for analytical chemistry
Mnova NMR
Quickly process and analyze 1D NMR, and report your chemical shifts and Jcouplings in journal format Process, analyze and assign multiple 2D spectra together with 1D* Advanced tools for automation, quantitation, reaction monitoring, diffusion & relaxation studies* Mnova NMR license required
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*Click the arrow next to the tool icon for options. See Help > Contents > Processing Basics for more details
To visualize your spectrum
Zoom in/Zoom out (or press Z) * Zoom out Full spectrum (or press F) Manual Zoom in to defined ppm range Pan spectrum (or press P)** Expansion – click&drag to draw an inset (or press E) Fit to Height (or press H) Increase Intensity (or rotate mouse wheel) Decrease Intensity (or rotate mouse wheel) Crosshair Cursor (or press C) for measuring J-couplings Cut (or press X) to hide parts of the spectrum
Use Mnova NMRPredict Desktop to
Predict 1H and 13C and verify your structure Assist you assign peaks
Mnova is compatible with Mac, Windows and Linux
Use Mnova MS to
Contents*
DB
NMR Predict
Assign
NMR ASV
Use Mnova NMR to
Open and transform your NMR data Process, analyze and report a 1H spectrum
MS
Mnova: An integrated system for analytical chemistry
Click and drag to define the range and peak picking threshold for the doublet
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* Mnova 6.1 or older: You can only define the range but not the threshold. The automatic peak picking threshold is used for picking peaks.
*Those features are not illustrated in this tutorial. See Mnova Help > Contents for more details 2012-5-16
To open and transform your NMR data
Choose File | Open to open the fid file from the raw data Or drag an fid file from Windows Explorer to Mnova * Mnova automatically transforms the raw file into frequency domain (including Windowing function, Fourier transform, phase correction etc) **
Press E, then Click and drag to define the range for the inset *Press Z several times to toggle between horizontal/vertical/box zoom ** Press P several times to toggle between free/horizontal/vertical panning
Hover the cursor on the multiplet label to show the peaks in the multiplet Click/drag the small red box to split the multiplet at desired place You can also click/drag the small green boxes to change the range of a multiplet
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To analyze and report multiplets in H-1 NMR
Mnova provides several approaches to multiplet analysis
Manual: click-and-drag to pick each multiplet interactively Semi-auto: pick peaks and integrate first, then do auto multiplet analysis Fully automatic multiplet analysis
Multiplet label: Hover the cursor on it to see peaks. Use the bar to split a multiplet…
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Biblioteka Baidu
Manual multiplet analysis: Press J, then click and drag to define the range and peak picking threshold for a multiplet.
Using Mnova to Process, Analyze and Report NMR and LC/GC/MS on Your Desktop
Version 6.2 March 2011
Chen Peng, PhD Director of Business Development, US & China Mestrelab Research SL San Diego, CA (858) 736-4563 chen.peng@mestrelab.com 2012-5-16
Open your LC/MS raw data and browse MS and UV Verify your proposed structures
* Only the most routinely used features are covered. More advanced features, as well as Mnova DB (database), ASV (auto structure verification) and Assign plugins are not covered in this tutorial.
To correct phase, baseline & reference
Click for phase correction if peaks are not symmetric* Click for baseline correction if baseline is not zero * Click to calibrate the chemical shift reference if the solvent or TMS peak is not at the right ppm
Use the small green boxes to change the range of a multiplet
Use the small red box to split a multiplet
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To refine multiplet analysis results
Select the Add Multiplet Peak tool Click SHIFT key once to switch to free peak picking mode Click on the shoulder peak at around 3.09 ppm
Multiplet Manager shows the properties of the current multiplet picked. (Double click on a multiplet label to open it)
To refine multiplet analysis results
In either case you can refine the results interactively, and report them in selected journal or patent formats
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To analyze multiplets manually
Press Z and zoom into one or more multiplets Press J to switch to Manual Multiplet mode Click and drag to include peaks for a multiplet* Double click on the multiplet label to open the Multiplet Manager Panel (see next slide) Choose View | Full View to show the Full View window if you want (see next slide)