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.
Try our new HSQC_raw server, which (1) only require the input spectrum file (in nmrpipe or sparky format), (2) can do automatic peak picking before submitting for database query, (3) can overlay contour plot with matched compound peaks.
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.Calculated referencing: 1H: 13C:
AcknowledgementThis 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
*These information are only used for the compilation of our webserver usage data.
This server is last updated at June 27 2016 14:32:34.