COLMAR1d database search tool

• By default, this page will list all records in our COLMAR1D database. The COLMAR1D database contains spin system matrices and predicted spectra at various field strengths for more than 1100 metabolites. Most of the metabolites are sourced from the Gissmo database without modification. Additionally, some experimental spectra have been obtained from the Human Metabolome Database (HMDB) and our own measurements, followed by spin system matrix optimization.
• You can list and search the COLMAR1D database.
• Click on the compound ID to add it to the selected list, which can then be saved as a user-defined subset for customized queries.

Reference

• Da-Wei Li, Alex Hansen, Lei Bruschweiler-Li, Chunhua Yuan and Rafael Brüschweiler; DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra; Natural Communication; Article number: 5229 (2021);

• Da-Wei Li,Lei Bruschweiler-Li, Alex Hansen, and Rafael Brüschweiler; DEEP Picker1D and Voigt Fitter1D: a versatile tool set for the automated quantitative spectral deconvolution of complex 1D-NMR spectra; Magn. Reson.; 4, 19-26 (2023);

• Da-Wei Li, Rodrigo Cabrera Allpas, Munki Choo, Lei Bruschweiler-Li, Alexandar L. Hansen, and Rafael Brüschweiler; COLMAR1d: A Web Server for Automated, Quantitative One-Dimensional Nuclear Magnetic Resonance-Based Metabolomics at Arbitrary Magnetic Fields; Anal. Chem.; 96, 17174-17183 (2024);

• Rodrigo Cabrera Allpas, Da-Wei Li, Munki Choo, Kyungsuh Lee, Lei Bruschweiler-Li, and Rafael Brüschweiler; COLMAR1d2d: Synergistic Combination of 1D with 2D NMR for Enhanced High-Throughput Identification and Quantification of Metabolites in Complex Mixtures; Anal. Chem.; 97, 10019-10026 (2025);

Questions or comments? Please feel free to contact us.

Acknowledgement

This web server and the research that led to it is supported by the National Institutes of Health (Grant R01 GM 066041).

For questions, please contact li.4644@osu.edu