TOCSY query

Visit a step by step how-to with figures here

STEP1, spectrum processing:

Your name and institute*
TOCSY spectrum file
Optional HSQC spectrum file
Optional user chosen session name
(Notice: spectra files can be nmrpipe (.ft2), sparky (.ucsf), Topspin ASCII format (.txt)) or Mnova .csv format. The server use file extension to distinguish file format!

STEP2, peak picking and fitting
Minimal amplitude Water line width in ppm
Include shoulder peaks?
Download picked peak list file.


STEP3, referencing
Referencing compounds selection: aqueous or organic.
DSS Alanine Leucine Glucose Lactic Acid

When doing auto-referencing, matching at least
out of known peaks.
Automatic by pattern matchings
1st: 2nd:
STEP4, database query and match:
1H chemical shift cutoff (ppm): , Matching ratio cutoff  
Clique based matching only options:
Peak alightment match cutoff : ppm, Symmetric peak match cutoff: ppm, Skip peaks within ppm of diagonal

Direct matching max clique matching

Query aqueous organic database empty database (max clique analysis only)

data for database query and display.

Start over
(optional) referencing, lowest contour adjust and database query

Load previous session:
You previous session id

(Type "example" into session id box to load in model mixture example.)
Estimated noise level of TOCSY spectrum is
TOCSY Lowest contour level: = 0

Control: Brush an area to Zoom in, or remove peaks within this area. , ,
Visualization:

Peak list:



Show detail of one matched compound:
Data base peak Matched experimental peak Maximal clique
TOCSY Lowest contour level: = 0

HSQC Lowest contour level: = 0

  • Zoom scale:
  • plot size:
  • Contour color: Gray Colorful.
  • Draw expected cross peaks from database experimental hybrid peaks or does not draw.
Save peak and compound information to local file
Using Space or Comma as delimiter.

List of compounds in our database

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

This server is last updated at September 02 2019 07:13:42.