TOCSY query

Visit a step by step how-to with figures here

STEP1, spectrum processing and peak picking:

Your name and institute*
TOCSY spectrum file
(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!
Optional AMS TOCSY peak file

STEP2, referencing (for aqueous experiment only)
Automatic by pattern matchings
DSS Alanine Leucine Glucose Lactic Acid
When doing auto-referencing, matching at least
out of known peaks.
1st: 2nd:

STEP3, database query and match:
1H chemical shift cutoff (ppm): , Matching ratio cutoff  
Clique based matching only options:
Peak alightment match cutoff(ppm):
Symmetric_cutoff Peak match cutoff(ppm):

Direct matching max clique (old algorithm) max clique matching

Query aqueous organi testing database empty database (max clique analysis only)

data for database query and display.

Start over
peak picking, referencing and database query
Load previous session:
You previous session id

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

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

Peak list:

Show detail of one matched compound:
Data base peak Matched experimental peak Maximal clique
TOCSY 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

*These information are only used for the compilation of our webserver usage data.

This server is last updated at January 05 2019 11:26:47.