CompoundLibBlast

Analyze and annotate a sample spectra with our compound library.
CompoundLibBlast allows users to upload a sample LC-MS spectra file in standard formats (mzXML, mzML, or mzData), and uses our pipeline to analyze its profile and annotate metabolites with our compound library.
The pipeline consists of three functions:
1) extracting peaks from uploaded sample spectra;
2) annotating the peaks with matched ones from our compound spectral library, or an optional in-silico spectral library;
3) reporting the sample metabolic profiles, identified metabolites, and related statistics.

Note: Sample spectra datafiles from various instruments can be converted to standard formats (mzXML, mzML, or mzData) using ProteoWizard.

Enter Query Info
Enter a descriptive title for your analyze
Enter Query Data

Make sure that the file name does not contain special characters, such as (),@,",/,*, etc; A datafile is limited to 100M in size. An example is found here:

Choose Search Set
Include in-silico spectra