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'COLMARm 13C-1H HSQC, HSQC-TOCSY and TOCSY Query and Verification'

General overview video of COLMAR suite of web servers
STEP 1: Spectra processing





(Notice: spectra files can be nmrpipe (.ft2), sparky (.ucsf), Topspin ASCII format (.txt)) or Mnova .csv format. The server uses the file extension to distinguish file formats!
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STEP2: Peak picking and peak fitting
Choose peak picking method




Peak fitting is recommended only if compound quantification is planed. It may take up to several hours for a complex spectrum
Choose peak line shape in peak fitting



STEP3(optional): Spectral referencing
Choose solvent: water or chloroform.
Choose compounds as references:
DSS Alanine Leucine Glucose Lactic Acid

The server automatically the reference correction by matching the peaks patterns of selected known compounds against experimental peaks. In this process, match at least
out of known peaks.


1H: 13C:
STEP 4: Database query with spectral matching using chemical shift difference cutoffs:
1H chemical shift cutoff (ppm): , 13C chemical shift cutoff (ppm): ,  Matching ratio cutoff:  

Database selection:
Query algorithm:

data for database query and display.



Load previous session:



Estimated noise level of HSQC spectrum is
HSQC Lowest contour level: = 0
Control: Brush an area to Zoom in, or remove peaks within this area. , ,
Visualization:


Peak list:




Visualization options:

  • Zoom scale:
  • plot size:
  • Contour color: Gray Colorful.
  • Draw expected cross peaks from database experimental hybrid peaks or does not draw.
Show detail of one matched spin-system:
Data base peak Matched experimental peak Expected cross peaks
HSQC Lowest contour level: = 0

TOCSY Lowest contour level: = 0

HSQC-TOCSY Lowest contour level: = 0

Save peak and compound information to local file
Using Space or Comma as delimiter.

List of compounds in our database

Reference

Questions or comments? Please feel free to contact us.

Acknowledgement

This web server and the research that led to it is supported by the National Institutes of Health (Grant R01 GM 066041).
Most chemical shifts in COLMAR database were retrieved from the existing databases listed below, which all allow public access.

*This information is only used for the compilation of our webserver usage data.

This server is last updated at March 23 2024 08:22:49.