What is CLMD?
Chemically Labeled Metabolite Database (CLMD) is a freely available database of chemically labeled metabolites based on LC-MS. This database consists of two kinds of data: 1) labeled authentic metabolites with standard, 2) labeled putative metabolites of from biospecimen without standard. Each chemically labeled metabolite entry contains Retention Index (RI) and MSn information (including accurate m/z, MS2 and MS3 spectra), etc, which is intended to be used for the identification annotation of chemically labeled metabolites.
Currently, this database consists of 2524 metabolites entries, including 870 from labeled authentic standards and 1654 from putative metabolites without standard. Based on the metabolite varieties, there are 12 derivatization reagents used to establish the database. CLMD supports searching by name, formula, RI, m/z and other identifiers. This database is updated in real time, and more available metabolites will be added to expand the database.
The simple text query (above) supports general text queries of name, CAS, KEGG, InChIKey, formula and monoisotopic mass. The text query on the left under the Search menu supports more complex queries of RI, m/z, MS2 Product Ions with relative strength greater than 10% and other identifiers. Clicking on the metabolite name under the Search menu brings up the full data content for the corresponding metabolite. Besides, under the About menu there are related articles we published, introduction of RI and derivatization, etc. Finally, under the Contact Us menu there are links for our lab web page and user's comment section.