Title | | » | Need a way to import and display keys other than InChI, SMILES, KEGG etc - e.g. "METLIN ID" |
Assigned To | | » | Brian Pratt |
Type | | » | Defect |
Area | | » | Skyline |
Priority | | » | 3 |
Working with some data from METLIN I realized that there's no easy way to retain the METLIN ID (or anything other than our standard SMILES, CAS, KEGG etc) in a Skyline document or IMSDB file. The BLIB format does try for this, and internally it's as simple as adding to the existing scheme we it's <type>:<value> e.g. for caffeine it could be CAS:58-08-2\tKEGG:D00528\tMETLIN:1455