In partnership with in PNNL     

This web server has been redesigned on Oct, 2015 to emphasize the importance of referencing. If your input peaks are correctly referenced according to our COLMAR HSQC Protocol, you can visit the previous version.

HSQC server has been updated to include 701 compounds.

STEP1 Please paste your HSQC peak list (in ppm, 1st column: 1H, 2nd column: 13C, separated by space(s))
or read a spectral file into peak list field


STEP2 Automatic referencing (Important)

The server will try to do a pattern matching between input peaks and peaks of some universal existing known compounds. Please examine the below plot carefully then un-check any of them that does NOT exist in your mixtures. Click "Calculate" to calculate referencing then click apply. Note that the input referencing error must be within 7.5ppm (Carbon) and 0.5ppm (Proton) for this part to work.

DSS Alanine Leucine Glucose Lactic Acid
When doing auto-referencing, matching at least out of known peaks.
Calculated referencing: 1H: 13C:
to all input peaks

STEP3 Submit peaks for data base query and display (compounds are filtered using uniqueness and matching ratio, see ref below for details)

Your name and institute*
1H chemical shift cutoff (ppm): 13C chemical shift cutoff (ppm):

STEP3 Option 2: submit peaks for data base query and display (without any uniqueness filtering)

Your name and institute*
1H chemical shift cutoff (ppm): 13C chemical shift cutoff (ppm): matching ratio cutoff

List of compounds in our database


Questions or comments? Please feel free to contact us.


This web server and the research that led to it is supported by the National Institutes of Health (Grant R01 GM 066041) and SECIM (Southeast Center for Integrated Metabolomics) grant U24 DK097209-01A1

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

This server is last updated at January 05 2019 15:09:00.